Coupling Fluid and Kineitc Effects in Space Weather: an interdisciplinary task

NASA Astrophysics Data System (ADS)

Lapenta, Giovanni; González-Herrero, Diego; Boella, Elisabetta; Siddi, Lorenzo; Cazzola, Emanuele

2017-04-01

Two agents are key to space weather: electromagentic fields and energetic particles. Magnetic fields carried by plasmas in the solar wind interact with the Earth magnetosphere and solar energetic particles produced by solar events or in cosmic rays affect the space environment. Describing both is challenging. Magnetized plasmas are most effectively described by magneto-hydrodynamics, MHD, a fluid theory based on describing some fields defined in space: electromagnetic fields, density, velocity and temperature of the plasma. High energy particles, instead need a more detailed approach , kinetic theory, where statistical distributions of particles are governed by the Boltzmann equation. While fluid models are based on the ordinary space and time, kinetic models require a six dimensional space, called phase space, besides time. The two methods are not separated, the processes leading to the production of energetic particles are the same that involve space plasamas and fields. Arriving at a single self-consistent model has been the goal of the Swiff project funded by the EC in FP7 and it is now a key goal of the ongoing DEEP-ER project. We present a new approach developed with the goal of extending the reach of kinetic models to the fluid scales. Kinetic models are a higher order description and all fluid effects are included in them. However, the cost in terms of computing power is much higher and it has been so far prohibitively expensive to treat space weather events fully kinetically. We have now designed a new method capable of reducing that cost by several orders of magnitude making it possible for kinetic models to study space weather events [1,2]. We will report the new methodology and show its application to space weather mdeling. [1] Giovanni Lapenta,Exactly Energy Conserving Semi-Implicit Particle in Cell Formulation, to appear, JCP, arXiv:1602.06326 [2] Giovanni Lapenta, Diego Gonzalez-Herrero, Elisabetta Boella, Multiple scale kinetic simulations with the energy conserving semi implicit particle in cell (PIC) method, submitted JPP, arXiv:1612.08289

Simulating incompressible flow on moving meshfree grids using General Finite Differences (GFD)

NASA Astrophysics Data System (ADS)

Vasyliv, Yaroslav; Alexeev, Alexander

2016-11-01

We simulate incompressible flow around an oscillating cylinder at different Reynolds numbers using General Finite Differences (GFD) on a meshfree grid. We evolve the meshfree grid by treating each grid node as a particle. To compute velocities and accelerations, we consider the particles at a particular instance as Eulerian observation points. The incompressible Navier-Stokes equations are directly discretized using GFD with boundary conditions enforced using a sharp interface treatment. Cloud sizes are set such that the local approximations use only 16 neighbors. To enforce incompressibility, we apply a semi-implicit approximate projection method. To prevent overlapping particles and formation of voids in the grid, we propose a particle regularization scheme based on a local minimization principle. We validate the GFD results for an oscillating cylinder against the lattice Boltzmann method and find good agreement. Financial support provided by National Science Foundation (NSF) Graduate Research Fellowship, Grant No. DGE-1148903.

A survey of implicit particle filters for data assimilation [Implicit particle filters for data assimilation

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

Chorin, Alexandre J.; Morzfeld, Matthias; Tu, Xuemin

Implicit particle filters for data assimilation update the particles by first choosing probabilities and then looking for particle locations that assume them, guiding the particles one by one to the high probability domain. We provide a detailed description of these filters, with illustrative examples, together with new, more general, methods for solving the algebraic equations and with a new algorithm for parameter identification.

A semi-implicit finite difference model for three-dimensional tidal circulation,

USGS Publications Warehouse

Casulli, V.; Cheng, R.T.

1992-01-01

A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is presented. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that in the absence of horizontal viscosity the resulting algorithm is unconditionally stable at a minimal computational cost. When only one vertical layer is specified this method reduces, as a particular case, to a semi-implicit scheme for the solutions of the corresponding two-dimensional shallow water equations. The resulting two- and three-dimensional algorithm is fast, accurate and mass conservative. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers.

Investigation of flow-induced numerical instability in a mixed semi-implicit, implicit leapfrog time discretization

NASA Astrophysics Data System (ADS)

King, Jacob; Kruger, Scott

2017-10-01

Flow can impact the stability and nonlinear evolution of range of instabilities (e.g. RWMs, NTMs, sawteeth, locked modes, PBMs, and high-k turbulence) and thus robust numerical algorithms for simulations with flow are essential. Recent simulations of DIII-D QH-mode [King et al., Phys. Plasmas and Nucl. Fus. 2017] with flow have been restricted to smaller time-step sizes than corresponding computations without flow. These computations use a mixed semi-implicit, implicit leapfrog time discretization as implemented in the NIMROD code [Sovinec et al., JCP 2004]. While prior analysis has shown that this algorithm is unconditionally stable with respect to the effect of large flows on the MHD waves in slab geometry [Sovinec et al., JCP 2010], our present Von Neumann stability analysis shows that a flow-induced numerical instability may arise when ad-hoc cylindrical curvature is included. Computations with the NIMROD code in cylindrical geometry with rigid rotation and without free-energy drive from current or pressure gradients qualitatively confirm this analysis. We explore potential methods to circumvent this flow-induced numerical instability such as using a semi-Lagrangian formulation instead of time-centered implicit advection and/or modification to the semi-implicit operator. This work is supported by the DOE Office of Science (Office of Fusion Energy Sciences).

Semi-implicit finite difference methods for three-dimensional shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Cheng, Ralph T.

1992-01-01

A semi-implicit finite difference method for the numerical solution of three-dimensional shallow water flows is presented and discussed. The governing equations are the primitive three-dimensional turbulent mean flow equations where the pressure distribution in the vertical has been assumed to be hydrostatic. In the method of solution a minimal degree of implicitness has been adopted in such a fashion that the resulting algorithm is stable and gives a maximal computational efficiency at a minimal computational cost. At each time step the numerical method requires the solution of one large linear system which can be formally decomposed into a set of small three-diagonal systems coupled with one five-diagonal system. All these linear systems are symmetric and positive definite. Thus the existence and uniquencess of the numerical solution are assured. When only one vertical layer is specified, this method reduces as a special case to a semi-implicit scheme for solving the corresponding two-dimensional shallow water equations. The resulting two- and three-dimensional algorithm has been shown to be fast, accurate and mass-conservative and can also be applied to simulate flooding and drying of tidal mud-flats in conjunction with three-dimensional flows. Furthermore, the resulting algorithm is fully vectorizable for an efficient implementation on modern vector computers.

Analysis OpenMP performance of AMD and Intel architecture for breaking waves simulation using MPS

NASA Astrophysics Data System (ADS)

Alamsyah, M. N. A.; Utomo, A.; Gunawan, P. H.

2018-03-01

Simulation of breaking waves by using Navier-Stokes equation via moving particle semi-implicit method (MPS) over close domain is given. The results show the parallel computing on multicore architecture using OpenMP platform can reduce the computational time almost half of the serial time. Here, the comparison using two computer architectures (AMD and Intel) are performed. The results using Intel architecture is shown better than AMD architecture in CPU time. However, in efficiency, the computer with AMD architecture gives slightly higher than the Intel. For the simulation by 1512 number of particles, the CPU time using Intel and AMD are 12662.47 and 28282.30 respectively. Moreover, the efficiency using similar number of particles, AMD obtains 50.09 % and Intel up to 49.42 %.

A spectral radius scaling semi-implicit iterative time stepping method for reactive flow simulations with detailed chemistry

NASA Astrophysics Data System (ADS)

Xie, Qing; Xiao, Zhixiang; Ren, Zhuyin

2018-09-01

A spectral radius scaling semi-implicit time stepping scheme has been developed for simulating unsteady compressible reactive flows with detailed chemistry, in which the spectral radius in the LUSGS scheme has been augmented to account for viscous/diffusive and reactive terms and a scalar matrix is proposed to approximate the chemical Jacobian using the minimum species destruction timescale. The performance of the semi-implicit scheme, together with a third-order explicit Runge-Kutta scheme and a Strang splitting scheme, have been investigated in auto-ignition and laminar premixed and nonpremixed flames of three representative fuels, e.g., hydrogen, methane, and n-heptane. Results show that the minimum species destruction time scale can well represent the smallest chemical time scale in reactive flows and the proposed scheme can significantly increase the allowable time steps in simulations. The scheme is stable when the time step is as large as 10 μs, which is about three to five orders of magnitude larger than the smallest time scales in various tests considered. For the test flames considered, the semi-implicit scheme achieves second order of accuracy in time. Moreover, the errors in quantities of interest are smaller than those from the Strang splitting scheme indicating the accuracy gain when the reaction and transport terms are solved coupled. Results also show that the relative efficiency of different schemes depends on fuel mechanisms and test flames. When the minimum time scale in reactive flows is governed by transport processes instead of chemical reactions, the proposed semi-implicit scheme is more efficient than the splitting scheme. Otherwise, the relative efficiency depends on the cost in sub-iterations for convergence within each time step and in the integration for chemistry substep. Then, the capability of the compressible reacting flow solver and the proposed semi-implicit scheme is demonstrated for capturing the hydrogen detonation waves. Finally, the performance of the proposed method is demonstrated in a two-dimensional hydrogen/air diffusion flame.

An implicit-iterative solution of the heat conduction equation with a radiation boundary condition

NASA Technical Reports Server (NTRS)

Williams, S. D.; Curry, D. M.

1977-01-01

For the problem of predicting one-dimensional heat transfer between conducting and radiating mediums by an implicit finite difference method, four different formulations were used to approximate the surface radiation boundary condition while retaining an implicit formulation for the interior temperature nodes. These formulations are an explicit boundary condition, a linearized boundary condition, an iterative boundary condition, and a semi-iterative boundary method. The results of these methods in predicting surface temperature on the space shuttle orbiter thermal protection system model under a variety of heating rates were compared. The iterative technique caused the surface temperature to be bounded at each step. While the linearized and explicit methods were generally more efficient, the iterative and semi-iterative techniques provided a realistic surface temperature response without requiring step size control techniques.

A Semi-Implicit, Three-Dimensional Model for Estuarine Circulation

USGS Publications Warehouse

Smith, Peter E.

2006-01-01

A semi-implicit, finite-difference method for the numerical solution of the three-dimensional equations for circulation in estuaries is presented and tested. The method uses a three-time-level, leapfrog-trapezoidal scheme that is essentially second-order accurate in the spatial and temporal numerical approximations. The three-time-level scheme is shown to be preferred over a two-time-level scheme, especially for problems with strong nonlinearities. The stability of the semi-implicit scheme is free from any time-step limitation related to the terms describing vertical diffusion and the propagation of the surface gravity waves. The scheme does not rely on any form of vertical/horizontal mode-splitting to treat the vertical diffusion implicitly. At each time step, the numerical method uses a double-sweep method to transform a large number of small tridiagonal equation systems and then uses the preconditioned conjugate-gradient method to solve a single, large, five-diagonal equation system for the water surface elevation. The governing equations for the multi-level scheme are prepared in a conservative form by integrating them over the height of each horizontal layer. The layer-integrated volumetric transports replace velocities as the dependent variables so that the depth-integrated continuity equation that is used in the solution for the water surface elevation is linear. Volumetric transports are computed explicitly from the momentum equations. The resulting method is mass conservative, efficient, and numerically accurate.

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

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

A multi-dimensional, energy- and charge-conserving, nonlinearly implicit, electromagnetic Vlasov–Darwin particle-in-cell algorithm

DOE PAGES

Chen, G.; Chacón, L.

2015-08-11

For decades, the Vlasov–Darwin model has been recognized to be attractive for particle-in-cell (PIC) kinetic plasma simulations in non-radiative electromagnetic regimes, to avoid radiative noise issues and gain computational efficiency. However, the Darwin model results in an elliptic set of field equations that renders conventional explicit time integration unconditionally unstable. We explore a fully implicit PIC algorithm for the Vlasov–Darwin model in multiple dimensions, which overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. The finite-difference scheme for Darwin field equations and particle equations of motion is space–time-centered, employing particle sub-cycling and orbit-averaging. This algorithm conserves total energy, local charge,more » canonical-momentum in the ignorable direction, and preserves the Coulomb gauge exactly. An asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. Finally, we demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 2D–3V.« less

High-Order/Low-Order methods for ocean modeling

DOE PAGES

Newman, Christopher; Womeldorff, Geoff; Chacón, Luis; ...

2015-06-01

In this study, we examine a High Order/Low Order (HOLO) approach for a z-level ocean model and show that the traditional semi-implicit and split-explicit methods, as well as a recent preconditioning strategy, can easily be cast in the framework of HOLO methods. The HOLO formulation admits an implicit-explicit method that is algorithmically scalable and second-order accurate, allowing timesteps much larger than the barotropic time scale. We show how HOLO approaches, in particular the implicit-explicit method, can provide a solid route for ocean simulation to heterogeneous computing and exascale environments.

On the implicit density based OpenFOAM solver for turbulent compressible flows

NASA Astrophysics Data System (ADS)

Fürst, Jiří

The contribution deals with the development of coupled implicit density based solver for compressible flows in the framework of open source package OpenFOAM. However the standard distribution of OpenFOAM contains several ready-made segregated solvers for compressible flows, the performance of those solvers is rather week in the case of transonic flows. Therefore we extend the work of Shen [15] and we develop an implicit semi-coupled solver. The main flow field variables are updated using lower-upper symmetric Gauss-Seidel method (LU-SGS) whereas the turbulence model variables are updated using implicit Euler method.

A semi-implicit augmented IIM for Navier–Stokes equations with open, traction, or free boundary conditions

PubMed Central

Li, Zhilin; Xiao, Li; Cai, Qin; Zhao, Hongkai; Luo, Ray

2016-01-01

In this paper, a new Navier–Stokes solver based on a finite difference approximation is proposed to solve incompressible flows on irregular domains with open, traction, and free boundary conditions, which can be applied to simulations of fluid structure interaction, implicit solvent model for biomolecular applications and other free boundary or interface problems. For some problems of this type, the projection method and the augmented immersed interface method (IIM) do not work well or does not work at all. The proposed new Navier–Stokes solver is based on the local pressure boundary method, and a semi-implicit augmented IIM. A fast Poisson solver can be used in our algorithm which gives us the potential for developing fast overall solvers in the future. The time discretization is based on a second order multi-step method. Numerical tests with exact solutions are presented to validate the accuracy of the method. Application to fluid structure interaction between an incompressible fluid and a compressible gas bubble is also presented. PMID:27087702

A semi-implicit augmented IIM for Navier-Stokes equations with open, traction, or free boundary conditions.

PubMed

Li, Zhilin; Xiao, Li; Cai, Qin; Zhao, Hongkai; Luo, Ray

2015-08-15

In this paper, a new Navier-Stokes solver based on a finite difference approximation is proposed to solve incompressible flows on irregular domains with open, traction, and free boundary conditions, which can be applied to simulations of fluid structure interaction, implicit solvent model for biomolecular applications and other free boundary or interface problems. For some problems of this type, the projection method and the augmented immersed interface method (IIM) do not work well or does not work at all. The proposed new Navier-Stokes solver is based on the local pressure boundary method, and a semi-implicit augmented IIM. A fast Poisson solver can be used in our algorithm which gives us the potential for developing fast overall solvers in the future. The time discretization is based on a second order multi-step method. Numerical tests with exact solutions are presented to validate the accuracy of the method. Application to fluid structure interaction between an incompressible fluid and a compressible gas bubble is also presented.

Implicit Plasma Kinetic Simulation Using The Jacobian-Free Newton-Krylov Method

NASA Astrophysics Data System (ADS)

Taitano, William; Knoll, Dana; Chacon, Luis

2009-11-01

The use of fully implicit time integration methods in kinetic simulation is still area of algorithmic research. A brute-force approach to simultaneously including the field equations and the particle distribution function would result in an intractable linear algebra problem. A number of algorithms have been put forward which rely on an extrapolation in time. They can be thought of as linearly implicit methods or one-step Newton methods. However, issues related to time accuracy of these methods still remain. We are pursuing a route to implicit plasma kinetic simulation which eliminates extrapolation, eliminates phase-space from the linear algebra problem, and converges the entire nonlinear system within a time step. We accomplish all this using the Jacobian-Free Newton-Krylov algorithm. The original research along these lines considered particle methods to advance the distribution function [1]. In the current research we are advancing the Vlasov equations on a grid. Results will be presented which highlight algorithmic details for single species electrostatic problems and coupled ion-electron electrostatic problems. [4pt] [1] H. J. Kim, L. Chac'on, G. Lapenta, ``Fully implicit particle in cell algorithm,'' 47th Annual Meeting of the Division of Plasma Physics, Oct. 24-28, 2005, Denver, CO

Stability analysis of Eulerian-Lagrangian methods for the one-dimensional shallow-water equations

USGS Publications Warehouse

Casulli, V.; Cheng, R.T.

1990-01-01

In this paper stability and error analyses are discussed for some finite difference methods when applied to the one-dimensional shallow-water equations. Two finite difference formulations, which are based on a combined Eulerian-Lagrangian approach, are discussed. In the first part of this paper the results of numerical analyses for an explicit Eulerian-Lagrangian method (ELM) have shown that the method is unconditionally stable. This method, which is a generalized fixed grid method of characteristics, covers the Courant-Isaacson-Rees method as a special case. Some artificial viscosity is introduced by this scheme. However, because the method is unconditionally stable, the artificial viscosity can be brought under control either by reducing the spatial increment or by increasing the size of time step. The second part of the paper discusses a class of semi-implicit finite difference methods for the one-dimensional shallow-water equations. This method, when the Eulerian-Lagrangian approach is used for the convective terms, is also unconditionally stable and highly accurate for small space increments or large time steps. The semi-implicit methods seem to be more computationally efficient than the explicit ELM; at each time step a single tridiagonal system of linear equations is solved. The combined explicit and implicit ELM is best used in formulating a solution strategy for solving a network of interconnected channels. The explicit ELM is used at channel junctions for each time step. The semi-implicit method is then applied to the interior points in each channel segment. Following this solution strategy, the channel network problem can be reduced to a set of independent one-dimensional open-channel flow problems. Numerical results support properties given by the stability and error analyses. ?? 1990.

Computational plasticity algorithm for particle dynamics simulations

NASA Astrophysics Data System (ADS)

Krabbenhoft, K.; Lyamin, A. V.; Vignes, C.

2018-01-01

The problem of particle dynamics simulation is interpreted in the framework of computational plasticity leading to an algorithm which is mathematically indistinguishable from the common implicit scheme widely used in the finite element analysis of elastoplastic boundary value problems. This algorithm provides somewhat of a unification of two particle methods, the discrete element method and the contact dynamics method, which usually are thought of as being quite disparate. In particular, it is shown that the former appears as the special case where the time stepping is explicit while the use of implicit time stepping leads to the kind of schemes usually labelled contact dynamics methods. The framing of particle dynamics simulation within computational plasticity paves the way for new approaches similar (or identical) to those frequently employed in nonlinear finite element analysis. These include mixed implicit-explicit time stepping, dynamic relaxation and domain decomposition schemes.

A new PIC noise reduction technique

NASA Astrophysics Data System (ADS)

Barnes, D. C.

2014-10-01

Numerical solution of the Vlasov equation is considered in a general situation in which there is an underlying static solution (equilibrium). There are no further assumptions about dimensionality, smallenss of orbits, or disparate time scales. The semi-characteristic (SC) method for Vlasov solution is described. The usual characteristics of the equation, which are the single particle orbits, are modified in such a way that the equilibrium phase-space flow is removed. In this way, the shot noise introduced by the usual discrete particle representation of the equilibrium is static in time and can be removed completely by subtraction. An almost exact algorithm for this is based on the observation that a (infinitesimal or) discrete time step of any equilibrium MC realization is again a realization of the equilibrium, building up strings of associated simulation particles. In this way, the only added discretization error arises from the need to extrapolate backward in time the chain end points one dt using a canonical transformation. Previously developed energy-conserving time-implicit methods are applied without modification. 1D ES examples of Landau damping and velocity-space instability are given to illustrate the method.

Compressible, multiphase semi-implicit method with moment of fluid interface representation

DOE PAGES

Jemison, Matthew; Sussman, Mark; Arienti, Marco

2014-09-16

A unified method for simulating multiphase flows using an exactly mass, momentum, and energy conserving Cell-Integrated Semi-Lagrangian advection algorithm is presented. The deforming material boundaries are represented using the moment-of-fluid method. Our new algorithm uses a semi-implicit pressure update scheme that asymptotically preserves the standard incompressible pressure projection method in the limit of infinite sound speed. The asymptotically preserving attribute makes the new method applicable to compressible and incompressible flows including stiff materials; enabling large time steps characteristic of incompressible flow algorithms rather than the small time steps required by explicit methods. Moreover, shocks are captured and material discontinuities aremore » tracked, without the aid of any approximate or exact Riemann solvers. As a result, wimulations of underwater explosions and fluid jetting in one, two, and three dimensions are presented which illustrate the effectiveness of the new algorithm at efficiently computing multiphase flows containing shock waves and material discontinuities with large “impedance mismatch.”« less

Fully implicit Particle-in-cell algorithms for multiscale plasma simulation

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

Chacon, Luis

The outline of the paper is as follows: Particle-in-cell (PIC) methods for fully ionized collisionless plasmas, explicit vs. implicit PIC, 1D ES implicit PIC (charge and energy conservation, moment-based acceleration), and generalization to Multi-D EM PIC: Vlasov-Darwin model (review and motivation for Darwin model, conservation properties (energy, charge, and canonical momenta), and numerical benchmarks). The author demonstrates a fully implicit, fully nonlinear, multidimensional PIC formulation that features exact local charge conservation (via a novel particle mover strategy), exact global energy conservation (no particle self-heating or self-cooling), adaptive particle orbit integrator to control errors in momentum conservation, and canonical momenta (EM-PICmore » only, reduced dimensionality). The approach is free of numerical instabilities: ω peΔt >> 1, and Δx >> λ D. It requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant CPU gains (vs explicit PIC) have been demonstrated. The method has much potential for efficiency gains vs. explicit in long-time-scale applications. Moment-based acceleration is effective in minimizing N FE, leading to an optimal algorithm.« less

Technical report series on global modeling and data assimilation. Volume 2: Direct solution of the implicit formulation of fourth order horizontal diffusion for gridpoint models on the sphere

NASA Technical Reports Server (NTRS)

Li, Yong; Moorthi, S.; Bates, J. Ray; Suarez, Max J.

1994-01-01

High order horizontal diffusion of the form K Delta(exp 2m) is widely used in spectral models as a means of preventing energy accumulation at the shortest resolved scales. In the spectral context, an implicit formation of such diffusion is trivial to implement. The present note describes an efficient method of implementing implicit high order diffusion in global finite difference models. The method expresses the high order diffusion equation as a sequence of equations involving Delta(exp 2). The solution is obtained by combining fast Fourier transforms in longitude with a finite difference solver for the second order ordinary differential equation in latitude. The implicit diffusion routine is suitable for use in any finite difference global model that uses a regular latitude/longitude grid. The absence of a restriction on the timestep makes it particularly suitable for use in semi-Lagrangian models. The scale selectivity of the high order diffusion gives it an advantage over the uncentering method that has been used to control computational noise in two-time-level semi-Lagrangian models.

Estimating and interpreting migration of Amazonian forests using spatially implicit and semi-explicit neutral models.

PubMed

Pos, Edwin; Guevara Andino, Juan Ernesto; Sabatier, Daniel; Molino, Jean-François; Pitman, Nigel; Mogollón, Hugo; Neill, David; Cerón, Carlos; Rivas-Torres, Gonzalo; Di Fiore, Anthony; Thomas, Raquel; Tirado, Milton; Young, Kenneth R; Wang, Ophelia; Sierra, Rodrigo; García-Villacorta, Roosevelt; Zagt, Roderick; Palacios Cuenca, Walter; Aulestia, Milton; Ter Steege, Hans

2017-06-01

With many sophisticated methods available for estimating migration, ecologists face the difficult decision of choosing for their specific line of work. Here we test and compare several methods, performing sanity and robustness tests, applying to large-scale data and discussing the results and interpretation. Five methods were selected to compare for their ability to estimate migration from spatially implicit and semi-explicit simulations based on three large-scale field datasets from South America (Guyana, Suriname, French Guiana and Ecuador). Space was incorporated semi-explicitly by a discrete probability mass function for local recruitment, migration from adjacent plots or from a metacommunity. Most methods were able to accurately estimate migration from spatially implicit simulations. For spatially semi-explicit simulations, estimation was shown to be the additive effect of migration from adjacent plots and the metacommunity. It was only accurate when migration from the metacommunity outweighed that of adjacent plots, discrimination, however, proved to be impossible. We show that migration should be considered more an approximation of the resemblance between communities and the summed regional species pool. Application of migration estimates to simulate field datasets did show reasonably good fits and indicated consistent differences between sets in comparison with earlier studies. We conclude that estimates of migration using these methods are more an approximation of the homogenization among local communities over time rather than a direct measurement of migration and hence have a direct relationship with beta diversity. As betadiversity is the result of many (non)-neutral processes, we have to admit that migration as estimated in a spatial explicit world encompasses not only direct migration but is an ecological aggregate of these processes. The parameter m of neutral models then appears more as an emerging property revealed by neutral theory instead of being an effective mechanistic parameter and spatially implicit models should be rejected as an approximation of forest dynamics.

Implicit Particle Filter for Power System State Estimation with Large Scale Renewable Power Integration.

NASA Astrophysics Data System (ADS)

Uzunoglu, B.; Hussaini, Y.

2017-12-01

Implicit Particle Filter is a sequential Monte Carlo method for data assimilation that guides the particles to the high-probability by an implicit step . It optimizes a nonlinear cost function which can be inherited from legacy assimilation routines . Dynamic state estimation for almost real-time applications in power systems are becomingly increasingly more important with integration of variable wind and solar power generation. New advanced state estimation tools that will replace the old generation state estimation in addition to having a general framework of complexities should be able to address the legacy software and able to integrate the old software in a mathematical framework while allowing the power industry need for a cautious and evolutionary change in comparison to a complete revolutionary approach while addressing nonlinearity and non-normal behaviour. This work implements implicit particle filter as a state estimation tool for the estimation of the states of a power system and presents the first implicit particle filter application study on a power system state estimation. The implicit particle filter is introduced into power systems and the simulations are presented for a three-node benchmark power system . The performance of the filter on the presented problem is analyzed and the results are presented.

A point implicit time integration technique for slow transient flow problems

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

Kadioglu, Samet Y.; Berry, Ray A.; Martineau, Richard C.

2015-05-01

We introduce a point implicit time integration technique for slow transient flow problems. The method treats the solution variables of interest (that can be located at cell centers, cell edges, or cell nodes) implicitly and the rest of the information related to same or other variables are handled explicitly. The method does not require implicit iteration; instead it time advances the solutions in a similar spirit to explicit methods, except it involves a few additional function(s) evaluation steps. Moreover, the method is unconditionally stable, as a fully implicit method would be. This new approach exhibits the simplicity of implementation ofmore » explicit methods and the stability of implicit methods. It is specifically designed for slow transient flow problems of long duration wherein one would like to perform time integrations with very large time steps. Because the method can be time inaccurate for fast transient problems, particularly with larger time steps, an appropriate solution strategy for a problem that evolves from a fast to a slow transient would be to integrate the fast transient with an explicit or semi-implicit technique and then switch to this point implicit method as soon as the time variation slows sufficiently. We have solved several test problems that result from scalar or systems of flow equations. Our findings indicate the new method can integrate slow transient problems very efficiently; and its implementation is very robust.« less

An L-stable method for solving stiff hydrodynamics

NASA Astrophysics Data System (ADS)

Li, Shengtai

2017-07-01

We develop a new method for simulating the coupled dynamics of gas and multi-species dust grains. The dust grains are treated as pressure-less fluids and their coupling with gas is through stiff drag terms. If an explicit method is used, the numerical time step is subject to the stopping time of the dust particles, which can become extremely small for small grains. The previous semi-implicit method [1] uses second-order trapezoidal rule (TR) on the stiff drag terms and it works only for moderately small size of the dust particles. This is because TR method is only A-stable not L-stable. In this work, we use TR-BDF2 method [2] for the stiff terms in the coupled hydrodynamic equations. The L-stability of TR-BDF2 proves essential in treating a number of dust species. The combination of TR-BDF2 method with the explicit discretization of other hydro terms can solve a wide variety of stiff hydrodynamics equations accurately and efficiently. We have implemented our method in our LA-COMPASS (Los Alamos Computational Astrophysics Suite) package. We have applied the code to simulate some dusty proto-planetary disks and obtained very good match with astronomical observations.

Boyd Report1

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

Crow, A J

2009-07-07

Andrew Crow arrived at Lawrence Livermore National Laboratory with the intention of continuing work on the Complex Particle Kinetic (CPK) method developed D. Larson and D. Hewett. Andrew Crow had previously worked on duplicating the results of D. Hewett in his previous work. Since arrival, A. Crow has been working with D. Larson on a slightly different project. The current method, still under development, is a Particle in Cell (PIC) code with the following features: (1) all particles begin each timestep at a gridpoint; (2) particles are then advanced in time using a standard special advancement method. The exact methodmore » has not been decided upon, but there are many reliable methods from which to choose. (3) All particles within each cell undergo a simultaneous implicit collision step. This is the current area of focus. Currently, A. Crow is not aware of any method of performing implicit collisions over a large number of charged particles. Implicit methods for charged particle movement and electron-electron collisions, have been developed. The work of L. pareschi and G. Russo on the Time Relaxed Direct Simulation Monte Carlo method, also appears to be a good basis for implicit particle collisions. (4) Each individual particle will be divided into a set of particles with a Gaussian velocity distribution. This will collect some of the thermal effects created by the collisions. This algorithm has not been created. (5) Particles will be projected on to the grid points. Currently, a linear weighting technique is intended to be used, but has not settled upon. (6) Once on the gridpoints the particle number will be reduced using a set of quadrature points based on the third order velocity moments of the particles. The method proposed by R. Fox has been programmed and shown to conserve energy, momentum and mass to machine precision. In addition to reducing the number of particles this method will work to quiet the simulation it will behave as a higher order version of the Quiet DSMC method proposed by B. Albright et al. (7) These quadrature points then become the new particles for the next timestep. the advantage of this method can be many: The self force on ions can be easily removed since all particles begin on grid points. The size of the timesteps should not be limited by collision rate, and should only be impacted by particle travel time through the cell. The particle reduction technique should keep many of the higher order features of the particle distribution while reducing the number of particles in the system. It should also quite the variance in the system. The two largest unknowns, at this time are, how large a part numerical diffusion will play in the scheme and how computationally expensive each timestep will be.« less

IMPLICIT DUAL CONTROL BASED ON PARTICLE FILTERING AND FORWARD DYNAMIC PROGRAMMING.

PubMed

Bayard, David S; Schumitzky, Alan

2010-03-01

This paper develops a sampling-based approach to implicit dual control. Implicit dual control methods synthesize stochastic control policies by systematically approximating the stochastic dynamic programming equations of Bellman, in contrast to explicit dual control methods that artificially induce probing into the control law by modifying the cost function to include a term that rewards learning. The proposed implicit dual control approach is novel in that it combines a particle filter with a policy-iteration method for forward dynamic programming. The integration of the two methods provides a complete sampling-based approach to the problem. Implementation of the approach is simplified by making use of a specific architecture denoted as an H-block. Practical suggestions are given for reducing computational loads within the H-block for real-time applications. As an example, the method is applied to the control of a stochastic pendulum model having unknown mass, length, initial position and velocity, and unknown sign of its dc gain. Simulation results indicate that active controllers based on the described method can systematically improve closed-loop performance with respect to other more common stochastic control approaches.

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.

Development of the Semi-implicit Time Integration in KIM-SH

NASA Astrophysics Data System (ADS)

NAM, H.

2015-12-01

The Korea Institute of Atmospheric Prediction Systems (KIAPS) was founded in 2011 by the Korea Meteorological Administration (KMA) to develop Korea's own global Numerical Weather Prediction (NWP) system as nine year (2011-2019) project. The KIM-SH is a KIAPS integrated model-spectral element based in the HOMME. In KIM-SH, the explicit schemes are employed. We introduce the three- and two-time-level semi-implicit scheme in KIM-SH as the time integration. Explicit schemes however have a tendancy to be unstable and require very small timesteps while semi-implicit schemes are very stable and can have much larger timesteps.We define the linear and reference values, then by definition of semi-implicit scheme, we apply the linear solver as GMRES. The numerical results from experiments will be introduced with the current development status of the time integration in KIM-SH. Several numerical examples are shown to confirm the efficiency and reliability of the proposed schemes.

Implicit solution of Navier-Stokes equations on staggered curvilinear grids using a Newton-Krylov method with a novel analytical Jacobian.

NASA Astrophysics Data System (ADS)

Borazjani, Iman; Asgharzadeh, Hafez

2015-11-01

Flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates with explicit and semi-implicit schemes. Implicit schemes can be used to overcome these restrictions. However, implementing implicit solver for nonlinear equations including Navier-Stokes is not straightforward. Newton-Krylov subspace methods (NKMs) are one of the most advanced iterative methods to solve non-linear equations such as implicit descritization of the Navier-Stokes equation. The efficiency of NKMs massively depends on the Jacobian formation method, e.g., automatic differentiation is very expensive, and matrix-free methods slow down as the mesh is refined. Analytical Jacobian is inexpensive method, but derivation of analytical Jacobian for Navier-Stokes equation on staggered grid is challenging. The NKM with a novel analytical Jacobian was developed and validated against Taylor-Green vortex and pulsatile flow in a 90 degree bend. The developed method successfully handled the complex geometries such as an intracranial aneurysm with multiple overset grids, and immersed boundaries. It is shown that the NKM with an analytical Jacobian is 3 to 25 times faster than the fixed-point implicit Runge-Kutta method, and more than 100 times faster than automatic differentiation depending on the grid (size) and the flow problem. The developed methods are fully parallelized with parallel efficiency of 80-90% on the problems tested.

Stabilized linear semi-implicit schemes for the nonlocal Cahn-Hilliard equation

NASA Astrophysics Data System (ADS)

Du, Qiang; Ju, Lili; Li, Xiao; Qiao, Zhonghua

2018-06-01

Comparing with the well-known classic Cahn-Hilliard equation, the nonlocal Cahn-Hilliard equation is equipped with a nonlocal diffusion operator and can describe more practical phenomena for modeling phase transitions of microstructures in materials. On the other hand, it evidently brings more computational costs in numerical simulations, thus efficient and accurate time integration schemes are highly desired. In this paper, we propose two energy-stable linear semi-implicit methods with first and second order temporal accuracies respectively for solving the nonlocal Cahn-Hilliard equation. The temporal discretization is done by using the stabilization technique with the nonlocal diffusion term treated implicitly, while the spatial discretization is carried out by the Fourier collocation method with FFT-based fast implementations. The energy stabilities are rigorously established for both methods in the fully discrete sense. Numerical experiments are conducted for a typical case involving Gaussian kernels. We test the temporal convergence rates of the proposed schemes and make a comparison of the nonlocal phase transition process with the corresponding local one. In addition, long-time simulations of the coarsening dynamics are also performed to predict the power law of the energy decay.

A curvilinear, fully implicit, conservative electromagnetic PIC algorithm in multiple dimensions

DOE PAGES

Chacon, L.; Chen, G.

2016-04-19

Here, we extend a recently proposed fully implicit PIC algorithm for the Vlasov–Darwin model in multiple dimensions (Chen and Chacón (2015) [1]) to curvilinear geometry. As in the Cartesian case, the approach is based on a potential formulation (Φ, A), and overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. Conservation theorems for local charge and global energy are derived in curvilinear representation, and then enforced discretely by a careful choice of the discretization of field and particle equations. Additionally, the algorithm conserves canonical-momentum in any ignorable direction, and preserves the Coulomb gauge ∇ • A = 0 exactly. Anmore » asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. We demonstrate the accuracy and efficiency properties of the algorithm with numerical experiments in mapped meshes in 1D-3V and 2D-3V.« less

A curvilinear, fully implicit, conservative electromagnetic PIC algorithm in multiple dimensions

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.

2016-07-01

We extend a recently proposed fully implicit PIC algorithm for the Vlasov-Darwin model in multiple dimensions (Chen and Chacón (2015) [1]) to curvilinear geometry. As in the Cartesian case, the approach is based on a potential formulation (ϕ, A), and overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. Conservation theorems for local charge and global energy are derived in curvilinear representation, and then enforced discretely by a careful choice of the discretization of field and particle equations. Additionally, the algorithm conserves canonical-momentum in any ignorable direction, and preserves the Coulomb gauge ∇ ṡ A = 0 exactly. An asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. We demonstrate the accuracy and efficiency properties of the algorithm with numerical experiments in mapped meshes in 1D-3V and 2D-3V.

A curvilinear, fully implicit, conservative electromagnetic PIC algorithm in multiple dimensions

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

Chacon, L.; Chen, G.

Here, we extend a recently proposed fully implicit PIC algorithm for the Vlasov–Darwin model in multiple dimensions (Chen and Chacón (2015) [1]) to curvilinear geometry. As in the Cartesian case, the approach is based on a potential formulation (Φ, A), and overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. Conservation theorems for local charge and global energy are derived in curvilinear representation, and then enforced discretely by a careful choice of the discretization of field and particle equations. Additionally, the algorithm conserves canonical-momentum in any ignorable direction, and preserves the Coulomb gauge ∇ • A = 0 exactly. Anmore » asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. We demonstrate the accuracy and efficiency properties of the algorithm with numerical experiments in mapped meshes in 1D-3V and 2D-3V.« less

Realistic mass ratio magnetic reconnection simulations with the Multi Level Multi Domain method

NASA Astrophysics Data System (ADS)

Innocenti, Maria Elena; Beck, Arnaud; Lapenta, Giovanni; Markidis, Stefano

2014-05-01

Space physics simulations with the ambition of realistically representing both ion and electron dynamics have to be able to cope with the huge scale separation between the electron and ion parameters while respecting the stability constraints of the numerical method of choice. Explicit Particle In Cell (PIC) simulations with realistic mass ratio are limited in the size of the problems they can tackle by the restrictive stability constraints of the explicit method (Birdsall and Langdon, 2004). Many alternatives are available to reduce such computation costs. Reduced mass ratios can be used, with the caveats highlighted in Bret and Dieckmann (2010). Fully implicit (Chen et al., 2011a; Markidis and Lapenta, 2011) or semi implicit (Vu and Brackbill, 1992; Lapenta et al., 2006; Cohen et al., 1989) methods can bypass the strict stability constraints of explicit PIC codes. Adaptive Mesh Refinement (AMR) techniques (Vay et al., 2004; Fujimoto and Sydora, 2008) can be employed to change locally the simulation resolution. We focus here on the Multi Level Multi Domain (MLMD) method introduced in Innocenti et al. (2013) and Beck et al. (2013). The method combines the advantages of implicit algorithms and adaptivity. Two levels are fully simulated with fields and particles. The so called "refined level" simulates a fraction of the "coarse level" with a resolution RF times bigger than the coarse level resolution, where RF is the Refinement Factor between the levels. This method is particularly suitable for magnetic reconnection simulations (Biskamp, 2005), where the characteristic Ion and Electron Diffusion Regions (IDR and EDR) develop at the ion and electron scales respectively (Daughton et al., 2006). In Innocenti et al. (2013) we showed that basic wave and instability processes are correctly reproduced by MLMD simulations. In Beck et al. (2013) we applied the technique to plasma expansion and magnetic reconnection problems. We showed that notable computational time savings can be achieved. More importantly, we were able to correctly reproduce EDR features, such as the inversion layer of the electric field observed in Chen et al. (2011b), with a MLMD simulation at a significantly lower cost. Here, we present recent results on EDR dynamics achieved with the MLMD method and a realistic mass ratio.

Using hybrid implicit Monte Carlo diffusion to simulate gray radiation hydrodynamics

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

Cleveland, Mathew A., E-mail: cleveland7@llnl.gov; Gentile, Nick

This work describes how to couple a hybrid Implicit Monte Carlo Diffusion (HIMCD) method with a Lagrangian hydrodynamics code to evaluate the coupled radiation hydrodynamics equations. This HIMCD method dynamically applies Implicit Monte Carlo Diffusion (IMD) [1] to regions of a problem that are opaque and diffusive while applying standard Implicit Monte Carlo (IMC) [2] to regions where the diffusion approximation is invalid. We show that this method significantly improves the computational efficiency as compared to a standard IMC/Hydrodynamics solver, when optically thick diffusive material is present, while maintaining accuracy. Two test cases are used to demonstrate the accuracy andmore » performance of HIMCD as compared to IMC and IMD. The first is the Lowrie semi-analytic diffusive shock [3]. The second is a simple test case where the source radiation streams through optically thin material and heats a thick diffusive region of material causing it to rapidly expand. We found that HIMCD proves to be accurate, robust, and computationally efficient for these test problems.« less

ASIS v1.0: an adaptive solver for the simulation of atmospheric chemistry

NASA Astrophysics Data System (ADS)

Cariolle, Daniel; Moinat, Philippe; Teyssèdre, Hubert; Giraud, Luc; Josse, Béatrice; Lefèvre, Franck

2017-04-01

This article reports on the development and tests of the adaptive semi-implicit scheme (ASIS) solver for the simulation of atmospheric chemistry. To solve the ordinary differential equation systems associated with the time evolution of the species concentrations, ASIS adopts a one-step linearized implicit scheme with specific treatments of the Jacobian of the chemical fluxes. It conserves mass and has a time-stepping module to control the accuracy of the numerical solution. In idealized box-model simulations, ASIS gives results similar to the higher-order implicit schemes derived from the Rosenbrock's and Gear's methods and requires less computation and run time at the moderate precision required for atmospheric applications. When implemented in the MOCAGE chemical transport model and the Laboratoire de Météorologie Dynamique Mars general circulation model, the ASIS solver performs well and reveals weaknesses and limitations of the original semi-implicit solvers used by these two models. ASIS can be easily adapted to various chemical schemes and further developments are foreseen to increase its computational efficiency, and to include the computation of the concentrations of the species in aqueous-phase in addition to gas-phase chemistry.

Formulation of the relativistic moment implicit particle-in-cell method

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

Noguchi, Koichi; Tronci, Cesare; Zuccaro, Gianluca

2007-04-15

A new formulation is presented for the implicit moment method applied to the time-dependent relativistic Vlasov-Maxwell system. The new approach is based on a specific formulation of the implicit moment method that allows us to retain the same formalism that is valid in the classical case despite the formidable complication introduced by the nonlinear nature of the relativistic equations of motion. To demonstrate the validity of the new formulation, an implicit finite difference algorithm is developed to solve the Maxwell's equations and equations of motion. A number of benchmark problems are run: two stream instability, ion acoustic wave damping, Weibelmore » instability, and Poynting flux acceleration. The numerical results are all in agreement with analytical solutions.« less

Numerical simulation of sloshing with large deforming free surface by MPS-LES method

NASA Astrophysics Data System (ADS)

Pan, Xu-jie; Zhang, Huai-xin; Sun, Xue-yao

2012-12-01

Moving particle semi-implicit (MPS) method is a fully Lagrangian particle method which can easily solve problems with violent free surface. Although it has demonstrated its advantage in ocean engineering applications, it still has some defects to be improved. In this paper, MPS method is extended to the large eddy simulation (LES) by coupling with a sub-particle-scale (SPS) turbulence model. The SPS turbulence model turns into the Reynolds stress terms in the filtered momentum equation, and the Smagorinsky model is introduced to describe the Reynolds stress terms. Although MPS method has the advantage in the simulation of the free surface flow, a lot of non-free surface particles are treated as free surface particles in the original MPS model. In this paper, we use a new free surface tracing method and the key point is "neighbor particle". In this new method, the zone around each particle is divided into eight parts, and the particle will be treated as a free surface particle as long as there are no "neighbor particles" in any two parts of the zone. As the number density parameter judging method has a high efficiency for the free surface particles tracing, we combine it with the neighbor detected method. First, we select out the particles which may be mistreated with high probabilities by using the number density parameter judging method. And then we deal with these particles with the neighbor detected method. By doing this, the new mixed free surface tracing method can reduce the mistreatment problem efficiently. The serious pressure fluctuation is an obvious defect in MPS method, and therefore an area-time average technique is used in this paper to remove the pressure fluctuation with a quite good result. With these improvements, the modified MPS-LES method is applied to simulate liquid sloshing problems with large deforming free surface. Results show that the modified MPS-LES method can simulate the large deforming free surface easily. It can not only capture the large impact pressure accurately on rolling tank wall but also can generate all physical phenomena successfully. The good agreement between numerical and experimental results proves that the modified MPS-LES method is a good CFD methodology in free surface flow simulations.

A Semi-implicit Method for Time Accurate Simulation of Compressible Flow

NASA Astrophysics Data System (ADS)

Wall, Clifton; Pierce, Charles D.; Moin, Parviz

2001-11-01

A semi-implicit method for time accurate simulation of compressible flow is presented. The method avoids the acoustic CFL limitation, allowing a time step restricted only by the convective velocity. Centered discretization in both time and space allows the method to achieve zero artificial attenuation of acoustic waves. The method is an extension of the standard low Mach number pressure correction method to the compressible Navier-Stokes equations, and the main feature of the method is the solution of a Helmholtz type pressure correction equation similar to that of Demirdžić et al. (Int. J. Num. Meth. Fluids, Vol. 16, pp. 1029-1050, 1993). The method is attractive for simulation of acoustic combustion instabilities in practical combustors. In these flows, the Mach number is low; therefore the time step allowed by the convective CFL limitation is significantly larger than that allowed by the acoustic CFL limitation, resulting in significant efficiency gains. Also, the method's property of zero artificial attenuation of acoustic waves is important for accurate simulation of the interaction between acoustic waves and the combustion process. The method has been implemented in a large eddy simulation code, and results from several test cases will be presented.

A robust, finite element model for hydrostatic surface water flows

USGS Publications Warehouse

Walters, R.A.; Casulli, V.

1998-01-01

A finite element scheme is introduced for the 2-dimensional shallow water equations using semi-implicit methods in time. A semi-Lagrangian method is used to approximate the effects of advection. A wave equation is formed at the discrete level such that the equations decouple into an equation for surface elevation and a momentum equation for the horizontal velocity. The convergence rates and relative computational efficiency are examined with the use of three test cases representing various degrees of difficulty. A test with a polar-quadrant grid investigates the response to local grid-scale forcing and the presence of spurious modes, a channel test case establishes convergence rates, and a field-scale test case examines problems with highly irregular grids.A finite element scheme is introduced for the 2-dimensional shallow water equations using semi-implicit methods in time. A semi-Lagrangian method is used to approximate the effects of advection. A wave equation is formed at the discrete level such that the equations decouple into an equation for surface elevation and a momentum equation for the horizontal velocity. The convergence rates and relative computational efficiency are examined with the use of three test cases representing various degrees of difficulty. A test with a polar-quadrant grid investigates the response to local grid-scale forcing and the presence of spurious modes, a channel test case establishes convergence rates, and a field-scale test case examines problems with highly irregular grids.

A Semi-implicit Method for Resolution of Acoustic Waves in Low Mach Number Flows

NASA Astrophysics Data System (ADS)

Wall, Clifton; Pierce, Charles D.; Moin, Parviz

2002-09-01

A semi-implicit numerical method for time accurate simulation of compressible flow is presented. By extending the low Mach number pressure correction method, a Helmholtz equation for pressure is obtained in the case of compressible flow. The method avoids the acoustic CFL limitation, allowing a time step restricted only by the convective velocity, resulting in significant efficiency gains. Use of a discretization that is centered in both time and space results in zero artificial damping of acoustic waves. The method is attractive for problems in which Mach numbers are low, and the acoustic waves of most interest are those having low frequency, such as acoustic combustion instabilities. Both of these characteristics suggest the use of time steps larger than those allowable by an acoustic CFL limitation. In some cases it may be desirable to include a small amount of numerical dissipation to eliminate oscillations due to small-wavelength, high-frequency, acoustic modes, which are not of interest; therefore, a provision for doing this in a controlled manner is included in the method. Results of the method for several model problems are presented, and the performance of the method in a large eddy simulation is examined.

An energy- and charge-conserving, nonlinearly implicit, electromagnetic 1D-3V Vlasov-Darwin particle-in-cell algorithm

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.

2014-10-01

A recent proof-of-principle study proposes a nonlinear electrostatic implicit particle-in-cell (PIC) algorithm in one dimension (Chen et al., 2011). The algorithm employs a kinetically enslaved Jacobian-free Newton-Krylov (JFNK) method, and conserves energy and charge to numerical round-off. In this study, we generalize the method to electromagnetic simulations in 1D using the Darwin approximation to Maxwell's equations, which avoids radiative noise issues by ordering out the light wave. An implicit, orbit-averaged, time-space-centered finite difference scheme is employed in both the 1D Darwin field equations (in potential form) and the 1D-3V particle orbit equations to produce a discrete system that remains exactly charge- and energy-conserving. Furthermore, enabled by the implicit Darwin equations, exact conservation of the canonical momentum per particle in any ignorable direction is enforced via a suitable scattering rule for the magnetic field. We have developed a simple preconditioner that targets electrostatic waves and skin currents, and allows us to employ time steps O(√{mi /me } c /veT) larger than the explicit CFL. Several 1D numerical experiments demonstrate the accuracy, performance, and conservation properties of the algorithm. In particular, the scheme is shown to be second-order accurate, and CPU speedups of more than three orders of magnitude vs. an explicit Vlasov-Maxwell solver are demonstrated in the "cold" plasma regime (where kλD ≪ 1).

Fluid preconditioning for Newton–Krylov-based, fully implicit, electrostatic particle-in-cell simulations

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

Chen, G., E-mail: gchen@lanl.gov; Chacón, L.; Leibs, C.A.

2014-02-01

A recent proof-of-principle study proposes an energy- and charge-conserving, nonlinearly implicit electrostatic particle-in-cell (PIC) algorithm in one dimension [9]. The algorithm in the reference employs an unpreconditioned Jacobian-free Newton–Krylov method, which ensures nonlinear convergence at every timestep (resolving the dynamical timescale of interest). Kinetic enslavement, which is one key component of the algorithm, not only enables fully implicit PIC as a practical approach, but also allows preconditioning the kinetic solver with a fluid approximation. This study proposes such a preconditioner, in which the linearized moment equations are closed with moments computed from particles. Effective acceleration of the linear GMRES solvemore » is demonstrated, on both uniform and non-uniform meshes. The algorithm performance is largely insensitive to the electron–ion mass ratio. Numerical experiments are performed on a 1D multi-scale ion acoustic wave test problem.« less

Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part I: numerical scheme

NASA Astrophysics Data System (ADS)

Rõõm, Rein; Männik, Aarne; Luhamaa, Andres

2007-10-01

Two-time-level, semi-implicit, semi-Lagrangian (SISL) scheme is applied to the non-hydrostatic pressure coordinate equations, constituting a modified Miller-Pearce-White model, in hybrid-coordinate framework. Neutral background is subtracted in the initial continuous dynamics, yielding modified equations for geopotential, temperature and logarithmic surface pressure fluctuation. Implicit Lagrangian marching formulae for single time-step are derived. A disclosure scheme is presented, which results in an uncoupled diagnostic system, consisting of 3-D Poisson equation for omega velocity and 2-D Helmholtz equation for logarithmic pressure fluctuation. The model is discretized to create a non-hydrostatic extension to numerical weather prediction model HIRLAM. The discretization schemes, trajectory computation algorithms and interpolation routines, as well as the physical parametrization package are maintained from parent hydrostatic HIRLAM. For stability investigation, the derived SISL model is linearized with respect to the initial, thermally non-equilibrium resting state. Explicit residuals of the linear model prove to be sensitive to the relative departures of temperature and static stability from the reference state. Relayed on the stability study, the semi-implicit term in the vertical momentum equation is replaced to the implicit term, which results in stability increase of the model.

Application of fast Fourier transforms to the direct solution of a class of two-dimensional separable elliptic equations on the sphere

NASA Technical Reports Server (NTRS)

Moorthi, Shrinivas; Higgins, R. W.

1993-01-01

An efficient, direct, second-order solver for the discrete solution of a class of two-dimensional separable elliptic equations on the sphere (which generally arise in implicit and semi-implicit atmospheric models) is presented. The method involves a Fourier transformation in longitude and a direct solution of the resulting coupled second-order finite-difference equations in latitude. The solver is made efficient by vectorizing over longitudinal wave-number and by using a vectorized fast Fourier transform routine. It is evaluated using a prescribed solution method and compared with a multigrid solver and the standard direct solver from FISHPAK.

An Energy- and Charge-conserving, Implicit, Electrostatic Particle-in-Cell Algorithm in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.; Barnes, D. C.

2012-03-01

A recent proof-of-principle study proposes an energy- and charge-conserving, fully implicit particle-in-cell algorithm in one dimension [1], which is able to use timesteps comparable to the dynamical timescale of interest. Here, we generalize the method to employ non-uniform meshes via a curvilinear map. The key enabling technology is a hybrid particle pusher [2], with particle positions updated in logical space and particle velocities updated in physical space. The self-adaptive, charge-conserving particle mover of Ref. [1] is extended to the non-uniform mesh case. The fully implicit implementation, using a Jacobian-free Newton-Krylov iterative solver, remains exactly charge- and energy-conserving. The extension of the formulation to multiple dimensions will be discussed. We present numerical experiments of 1D electrostatic, long-timescale ion-acoustic wave and ion-acoustic shock wave simulations, demonstrating that charge and energy are conserved to round-off for arbitrary mesh non-uniformity, and that the total momentum remains well conserved.[4pt] [1] Chen, Chac'on, Barnes, J. Comput. Phys. 230 (2011). [0pt] [2] Camporeale and Delzanno, Bull. Am. Phys. Soc. 56(6) (2011); Wang, et al., J. Plasma Physics, 61 (1999).

A novel partitioning method for block-structured adaptive meshes

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

Fu, Lin, E-mail: lin.fu@tum.de; Litvinov, Sergej, E-mail: sergej.litvinov@aer.mw.tum.de; Hu, Xiangyu Y., E-mail: xiangyu.hu@tum.de

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtainmore » the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.« less

A novel partitioning method for block-structured adaptive meshes

NASA Astrophysics Data System (ADS)

Fu, Lin; Litvinov, Sergej; Hu, Xiangyu Y.; Adams, Nikolaus A.

2017-07-01

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

SEMI-VOLATILE SECONDARY AEROSOLS IN URBAN ATMOSPHERES: MEETING A MEASURED CHALLENGE

EPA Science Inventory

This presentation compares the results from various particle measurement methods as they relate to semi-volatile secondary aerosols in urban atmospheres. The methods include the PM2.5 Federal Reference Method; Particle Concentrator - BYU Organic Sampling System (PC-BOSS); the Re...

Efficient multiscale magnetic-domain analysis of iron-core material under mechanical stress

NASA Astrophysics Data System (ADS)

Nishikubo, Atsushi; Ito, Shumpei; Mifune, Takeshi; Matsuo, Tetsuji; Kaido, Chikara; Takahashi, Yasuhito; Fujiwara, Koji

2018-05-01

For an efficient analysis of magnetization, a partial-implicit solution method is improved using an assembled domain structure model with six-domain mesoscopic particles exhibiting pinning-type hysteresis. The quantitative analysis of non-oriented silicon steel succeeds in predicting the stress dependence of hysteresis loss with computation times greatly reduced by using the improved partial-implicit method. The effect of cell division along the thickness direction is also evaluated.

Semi-Lagrangian particle methods for high-dimensional Vlasov-Poisson systems

NASA Astrophysics Data System (ADS)

Cottet, Georges-Henri

2018-07-01

This paper deals with the implementation of high order semi-Lagrangian particle methods to handle high dimensional Vlasov-Poisson systems. It is based on recent developments in the numerical analysis of particle methods and the paper focuses on specific algorithmic features to handle large dimensions. The methods are tested with uniform particle distributions in particular against a recent multi-resolution wavelet based method on a 4D plasma instability case and a 6D gravitational case. Conservation properties, accuracy and computational costs are monitored. The excellent accuracy/cost trade-off shown by the method opens new perspective for accurate simulations of high dimensional kinetic equations by particle methods.

Explicit and Implicit Learning: Exploring Their Simultaneity and Immediate Effectiveness

ERIC Educational Resources Information Center

Bell, Philippa K.

2017-01-01

Do adults learn the same syntactic second language (L2) form explicitly and implicitly simultaneously during meaning-based exposure, and does the type of learning (explicit and/or implicit) affect subsequent performance. In this study, 81 anglophones completed comprehension tasks providing incidental exposure to a semi-artificial language (English…

Modelling magnetic reconnection events relevant for solar physics with the new Energy Conserving Moment Implicit Method

NASA Astrophysics Data System (ADS)

Boella, Elisabetta; Herrero-Gonzalez, Diego; Innocenti, Maria Elena; Bemporad, Alessandro; Lapenta, Giovanni

2017-04-01

Fully kinetic simulations of magnetic reconnection events in the solar environment are especially challenging due to the extreme range of spatial and temporal scales that characterises them. As one moves from the photosphere to the chromosphere and the corona, the temperature increases from sub eV to 10-100 eV, while the mass density decreases from 10-4 to 10-12 kg/m3 and further. The intrinsic scales of kinetic reconnection (inertial length and gyroradius) are tremendously smaller than the maximum resolution available in observations. Furthermore, no direct information is available on the size of reconnection regions, plasmoids and reconnection fronts, while observations suggest that the process can cascade down to very small scale te{Bemporad}. Resolving the electron and ion scales while simulating a sufficiently large domain is a great challenge facing solar modelling. An especially challenging aspect is the need to consider the Debye length. The very low temperature of the electrons and the large spatial and temporal scales make these simulations hard to implement within existing Particle in Cell (PIC) methods. The limit is the ratio of the grid spacing to the Debye length. PIC methods show good stability and energy conservation when the grid does not exceed the Debye length too much. Semi-implicit methods te{Brackbill, Langdon} improve on this point. Only the recently developed fully energy conserving implicit methods have solved the problem te{Markidis, Chen}, but at a high computational cost. Very recently, we have developed an efficient new semi-implicit algorithm, which has been proven to conserve energy exactly to machine precision te{Lapenta}. In this work, we illustrate the main steps that enabled this great breakthrough and report the implementation on a new massively parallel three dimensional PIC code, called ECsim te{Lapenta2}. The new approach is applied to the problem of reconnection in the solar environment. We compare results of a simple 2D configuration similar to the so-called GEM challenge for different ranges of electron temperature, density and magnetic field, relative to different distances from the photosphere, demonstrating the capability of the new code. Finally, we report on the first results (to the authors' knowledge) of realistic magnetic 3D reconnection simulations in the solar environment, considering a large domain sufficient to describe the interaction of large scale dynamics with the reconnection process. A. Bemporad, ApJ 689, 572 (2008). J.U. Brackbill and D.W. Forslund, J. Comput. Phys. 46, 271 (1982). A. Langdon et al., J. Comput. Phys. 51, 107 (1983). S. Markidis and G. Lapenta, J. Comput. Phys. 230, 7037 (2011). G. Chen et al., J. Comput. Phys. 230, 7018 (2011). G. Lapenta, arXiv preprint arXiv:1602.06326 (2016). G. Lapenta et al., arXiv preprint arXiv:1612.08289 (2016).

Multigrid Method for Modeling Multi-Dimensional Combustion with Detailed Chemistry

NASA Technical Reports Server (NTRS)

Zheng, Xiaoqing; Liu, Chaoqun; Liao, Changming; Liu, Zhining; McCormick, Steve

1996-01-01

A highly accurate and efficient numerical method is developed for modeling 3-D reacting flows with detailed chemistry. A contravariant velocity-based governing system is developed for general curvilinear coordinates to maintain simplicity of the continuity equation and compactness of the discretization stencil. A fully-implicit backward Euler technique and a third-order monotone upwind-biased scheme on a staggered grid are used for the respective temporal and spatial terms. An efficient semi-coarsening multigrid method based on line-distributive relaxation is used as the flow solver. The species equations are solved in a fully coupled way and the chemical reaction source terms are treated implicitly. Example results are shown for a 3-D gas turbine combustor with strong swirling inflows.

Stability of a chemically active floating disk

NASA Astrophysics Data System (ADS)

Vandadi, Vahid; Jafari Kang, Saeed; Rothstein, Jonathan; Masoud, Hassan

2017-11-01

We theoretically study the translational stability of a chemically active disk located at a flat liquid-gas interface. The initially immobile circular disk uniformly releases an interface-active agent that locally changes the surface tension and is insoluble in the bulk. If left unperturbed, the stationary disk remains motionless as the agent is discharged. Neglecting the inertial effects, we numerically test whether a perturbation in the translational velocity of the disk can lead to its spontaneous and self-sustained motion. Such a perturbation gives rise to an asymmetric distribution of the released factor that could trigger and sustain the Marangoni propulsion of the disk. An implicit Fourier-Chebyshev spectral method is employed to solve the advection-diffusion equation for the concentration of the active agent. The solution, given a linear equation of state for the surface tension, provides the shear stress distribution at the interface. This and the no-slip condition on the wetted surface of the disk are then used at each time step to semi-analytically determine the Stokes flow in the semi-infinite liquid layer. Overall, the findings of our investigation pave the way for pinpointing the conditions under which interface-bound active particles become dynamically unstable.

A splitting scheme based on the space-time CE/SE method for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

2016-08-01

Numerical solutions of the hydrodynamical model of semiconductor devices are presented in one and two-space dimension. The model describes the charge transport in semiconductor devices. Mathematically, the models can be written as a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the conservation element and solution element (CE/SE) method for hyperbolic step, and a semi-implicit scheme for the relaxation step. The numerical results of the suggested scheme are compared with the splitting scheme based on Nessyahu-Tadmor (NT) central scheme for convection step and the same semi-implicit scheme for the relaxation step. The effects of various parameters such as low field mobility, device length, lattice temperature and voltages for one-space dimensional hydrodynamic model are explored to further validate the generic applicability of the CE/SE method for the current model equations. A two dimensional simulation is also performed by CE/SE method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

The Effects of Implicit Instruction on Implicit and Explicit Knowledge Development

ERIC Educational Resources Information Center

Godfroid, Aline

2016-01-01

This study extends the evidence for implicit second language (L2) learning, which comes largely from (semi-)artificial language research, to German. Upper-intermediate L2 German learners were flooded with spoken exemplars of a difficult morphological structure, namely strong, vowel-changing verbs. Toward the end of exposure, the mandatory vowel…

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

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

Pan, Wenxiao; Kim, Kyungjoo; Perego, Mauro

2017-04-01

We present an efficient implicit incompressible smoothed particle hydrodynamics (I2SPH) discretization of Navier-Stokes, Poisson-Boltzmann, and advection-diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The I2SPH's accuracy and convergence are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. The new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

A numerical method for simulating the dynamics of 3D axisymmetric vesicles suspended in viscous flows

NASA Astrophysics Data System (ADS)

Veerapaneni, Shravan K.; Gueyffier, Denis; Biros, George; Zorin, Denis

2009-10-01

We extend [Shravan K. Veerapaneni, Denis Gueyffier, Denis Zorin, George Biros, A boundary integral method for simulating the dynamics of inextensible vesicles suspended in a viscous fluid in 2D, Journal of Computational Physics 228(7) (2009) 2334-2353] to the case of three-dimensional axisymmetric vesicles of spherical or toroidal topology immersed in viscous flows. Although the main components of the algorithm are similar in spirit to the 2D case—spectral approximation in space, semi-implicit time-stepping scheme—the main differences are that the bending and viscous force require new analysis, the linearization for the semi-implicit schemes must be rederived, a fully implicit scheme must be used for the toroidal topology to eliminate a CFL-type restriction and a novel numerical scheme for the evaluation of the 3D Stokes single layer potential on an axisymmetric surface is necessary to speed up the calculations. By introducing these novel components, we obtain a time-scheme that experimentally is unconditionally stable, has low cost per time step, and is third-order accurate in time. We present numerical results to analyze the cost and convergence rates of the scheme. To verify the solver, we compare it to a constrained variational approach to compute equilibrium shapes that does not involve interactions with a viscous fluid. To illustrate the applicability of method, we consider a few vesicle-flow interaction problems: the sedimentation of a vesicle, interactions of one and three vesicles with a background Poiseuille flow.

An efficient mixed-precision, hybrid CPU-GPU implementation of a nonlinearly implicit one-dimensional particle-in-cell algorithm

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

Chen, Guangye; Chacon, Luis; Barnes, Daniel C

2012-01-01

Recently, a fully implicit, energy- and charge-conserving particle-in-cell method has been developed for multi-scale, full-f kinetic simulations [G. Chen, et al., J. Comput. Phys. 230, 18 (2011)]. The method employs a Jacobian-free Newton-Krylov (JFNK) solver and is capable of using very large timesteps without loss of numerical stability or accuracy. A fundamental feature of the method is the segregation of particle orbit integrations from the field solver, while remaining fully self-consistent. This provides great flexibility, and dramatically improves the solver efficiency by reducing the degrees of freedom of the associated nonlinear system. However, it requires a particle push per nonlinearmore » residual evaluation, which makes the particle push the most time-consuming operation in the algorithm. This paper describes a very efficient mixed-precision, hybrid CPU-GPU implementation of the implicit PIC algorithm. The JFNK solver is kept on the CPU (in double precision), while the inherent data parallelism of the particle mover is exploited by implementing it in single-precision on a graphics processing unit (GPU) using CUDA. Performance-oriented optimizations, with the aid of an analytical performance model, the roofline model, are employed. Despite being highly dynamic, the adaptive, charge-conserving particle mover algorithm achieves up to 300 400 GOp/s (including single-precision floating-point, integer, and logic operations) on a Nvidia GeForce GTX580, corresponding to 20 25% absolute GPU efficiency (against the peak theoretical performance) and 50-70% intrinsic efficiency (against the algorithm s maximum operational throughput, which neglects all latencies). This is about 200-300 times faster than an equivalent serial CPU implementation. When the single-precision GPU particle mover is combined with a double-precision CPU JFNK field solver, overall performance gains 100 vs. the double-precision CPU-only serial version are obtained, with no apparent loss of robustness or accuracy when applied to a challenging long-time scale ion acoustic wave simulation.« less

On the velocity space discretization for the Vlasov-Poisson system: Comparison between implicit Hermite spectral and Particle-in-Cell methods

NASA Astrophysics Data System (ADS)

Camporeale, E.; Delzanno, G. L.; Bergen, B. K.; Moulton, J. D.

2016-01-01

We describe a spectral method for the numerical solution of the Vlasov-Poisson system where the velocity space is decomposed by means of an Hermite basis, and the configuration space is discretized via a Fourier decomposition. The novelty of our approach is an implicit time discretization that allows exact conservation of charge, momentum and energy. The computational efficiency and the cost-effectiveness of this method are compared to the fully-implicit PIC method recently introduced by Markidis and Lapenta (2011) and Chen et al. (2011). The following examples are discussed: Langmuir wave, Landau damping, ion-acoustic wave, two-stream instability. The Fourier-Hermite spectral method can achieve solutions that are several orders of magnitude more accurate at a fraction of the cost with respect to PIC.

A pressure-based semi-implicit space-time discontinuous Galerkin method on staggered unstructured meshes for the solution of the compressible Navier-Stokes equations at all Mach numbers

NASA Astrophysics Data System (ADS)

Tavelli, Maurizio; Dumbser, Michael

2017-07-01

We propose a new arbitrary high order accurate semi-implicit space-time discontinuous Galerkin (DG) method for the solution of the two and three dimensional compressible Euler and Navier-Stokes equations on staggered unstructured curved meshes. The method is pressure-based and semi-implicit and is able to deal with all Mach number flows. The new DG scheme extends the seminal ideas outlined in [1], where a second order semi-implicit finite volume method for the solution of the compressible Navier-Stokes equations with a general equation of state was introduced on staggered Cartesian grids. Regarding the high order extension we follow [2], where a staggered space-time DG scheme for the incompressible Navier-Stokes equations was presented. In our scheme, the discrete pressure is defined on the primal grid, while the discrete velocity field and the density are defined on a face-based staggered dual grid. Then, the mass conservation equation, as well as the nonlinear convective terms in the momentum equation and the transport of kinetic energy in the energy equation are discretized explicitly, while the pressure terms appearing in the momentum and energy equation are discretized implicitly. Formal substitution of the discrete momentum equation into the total energy conservation equation yields a linear system for only one unknown, namely the scalar pressure. Here the equation of state is assumed linear with respect to the pressure. The enthalpy and the kinetic energy are taken explicitly and are then updated using a simple Picard procedure. Thanks to the use of a staggered grid, the final pressure system is a very sparse block five-point system for three dimensional problems and it is a block four-point system in the two dimensional case. Furthermore, for high order in space and piecewise constant polynomials in time, the system is observed to be symmetric and positive definite. This allows to use fast linear solvers such as the conjugate gradient (CG) method. In addition, all the volume and surface integrals needed by the scheme depend only on the geometry and the polynomial degree of the basis and test functions and can therefore be precomputed and stored in a preprocessing stage. This leads to significant savings in terms of computational effort for the time evolution part. In this way also the extension to a fully curved isoparametric approach becomes natural and affects only the preprocessing step. The viscous terms and the heat flux are also discretized making use of the staggered grid by defining the viscous stress tensor and the heat flux vector on the dual grid, which corresponds to the use of a lifting operator, but on the dual grid. The time step of our new numerical method is limited by a CFL condition based only on the fluid velocity and not on the sound speed. This makes the method particularly interesting for low Mach number flows. Finally, a very simple combination of artificial viscosity and the a posteriori MOOD technique allows to deal with shock waves and thus permits also to simulate high Mach number flows. We show computational results for a large set of two and three-dimensional benchmark problems, including both low and high Mach number flows and using polynomial approximation degrees up to p = 4.

On time discretizations for the simulation of the batch settling-compression process in one dimension.

PubMed

Bürger, Raimund; Diehl, Stefan; Mejías, Camilo

2016-01-01

The main purpose of the recently introduced Bürger-Diehl simulation model for secondary settling tanks was to resolve spatial discretization problems when both hindered settling and the phenomena of compression and dispersion are included. Straightforward time integration unfortunately means long computational times. The next step in the development is to introduce and investigate time-integration methods for more efficient simulations, but where other aspects such as implementation complexity and robustness are equally considered. This is done for batch settling simulations. The key findings are partly a new time-discretization method and partly its comparison with other specially tailored and standard methods. Several advantages and disadvantages for each method are given. One conclusion is that the new linearly implicit method is easier to implement than another one (semi-implicit method), but less efficient based on two types of batch sedimentation tests.

Simulating galactic dust grain evolution on a moving mesh

NASA Astrophysics Data System (ADS)

McKinnon, Ryan; Vogelsberger, Mark; Torrey, Paul; Marinacci, Federico; Kannan, Rahul

2018-05-01

Interstellar dust is an important component of the galactic ecosystem, playing a key role in multiple galaxy formation processes. We present a novel numerical framework for the dynamics and size evolution of dust grains implemented in the moving-mesh hydrodynamics code AREPO suited for cosmological galaxy formation simulations. We employ a particle-based method for dust subject to dynamical forces including drag and gravity. The drag force is implemented using a second-order semi-implicit integrator and validated using several dust-hydrodynamical test problems. Each dust particle has a grain size distribution, describing the local abundance of grains of different sizes. The grain size distribution is discretised with a second-order piecewise linear method and evolves in time according to various dust physical processes, including accretion, sputtering, shattering, and coagulation. We present a novel scheme for stochastically forming dust during stellar evolution and new methods for sub-cycling of dust physics time-steps. Using this model, we simulate an isolated disc galaxy to study the impact of dust physical processes that shape the interstellar grain size distribution. We demonstrate, for example, how dust shattering shifts the grain size distribution to smaller sizes resulting in a significant rise of radiation extinction from optical to near-ultraviolet wavelengths. Our framework for simulating dust and gas mixtures can readily be extended to account for other dynamical processes relevant in galaxy formation, like magnetohydrodynamics, radiation pressure, and thermo-chemical processes.

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

DOE PAGES

Pan, Wenxiao; Kim, Kyungjoo; Perego, Mauro; ...

2017-01-03

In this paper, we present a consistent implicit incompressible smoothed particle hydrodynamics (I 2SPH) discretization of Navier–Stokes, Poisson–Boltzmann, and advection–diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The accuracy and convergence of the consistent I 2SPH are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. Lastly, the new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

Modeling of single film bubble and numerical study of the plateau structure in foam system

NASA Astrophysics Data System (ADS)

Sun, Zhong-guo; Ni, Ni; Sun, Yi-jie; Xi, Guang

2018-02-01

The single-film bubble has a special geometry with a certain amount of gas shrouded by a thin layer of liquid film under the surface tension force both on the inside and outside surfaces of the bubble. Based on the mesh-less moving particle semi-implicit (MPS) method, a single-film double-gas-liquid-interface surface tension (SDST) model is established for the single-film bubble, which characteristically has totally two gas-liquid interfaces on both sides of the film. Within this framework, the conventional surface free energy surface tension model is improved by using a higher order potential energy equation between particles, and the modification results in higher accuracy and better symmetry properties. The complex interface movement in the oscillation process of the single-film bubble is numerically captured, as well as typical flow phenomena and deformation characteristics of the liquid film. In addition, the basic behaviors of the coalescence and connection process between two and even three single-film bubbles are studied, and the cases with bubbles of different sizes are also included. Furthermore, the classic plateau structure in the foam system is reproduced and numerically proved to be in the steady state for multi-bubble connections.

Implicit Multibody Penalty-BasedDistributed Contact.

PubMed

Xu, Hongyi; Zhao, Yili; Barbic, Jernej

2014-09-01

The penalty method is a simple and popular approach to resolving contact in computer graphics and robotics. Penalty-based contact, however, suffers from stability problems due to the highly variable and unpredictable net stiffness, and this is particularly pronounced in simulations with time-varying distributed geometrically complex contact. We employ semi-implicit integration, exact analytical contact gradients, symbolic Gaussian elimination and a SVD solver to simulate stable penalty-based frictional contact with large, time-varying contact areas, involving many rigid objects and articulated rigid objects in complex conforming contact and self-contact. We also derive implicit proportional-derivative control forces for real-time control of articulated structures with loops. We present challenging contact scenarios such as screwing a hexbolt into a hole, bowls stacked in perfectly conforming configurations, and manipulating many objects using actively controlled articulated mechanisms in real time.

Divergence-Free SPH for Incompressible and Viscous Fluids.

PubMed

Bender, Jan; Koschier, Dan

2017-03-01

In this paper we present a novel Smoothed Particle Hydrodynamics (SPH) method for the efficient and stable simulation of incompressible fluids. The most efficient SPH-based approaches enforce incompressibility either on position or velocity level. However, the continuity equation for incompressible flow demands to maintain a constant density and a divergence-free velocity field. We propose a combination of two novel implicit pressure solvers enforcing both a low volume compression as well as a divergence-free velocity field. While a compression-free fluid is essential for realistic physical behavior, a divergence-free velocity field drastically reduces the number of required solver iterations and increases the stability of the simulation significantly. Thanks to the improved stability, our method can handle larger time steps than previous approaches. This results in a substantial performance gain since the computationally expensive neighborhood search has to be performed less frequently. Moreover, we introduce a third optional implicit solver to simulate highly viscous fluids which seamlessly integrates into our solver framework. Our implicit viscosity solver produces realistic results while introducing almost no numerical damping. We demonstrate the efficiency, robustness and scalability of our method in a variety of complex simulations including scenarios with millions of turbulent particles or highly viscous materials.

A Nonlinear Multigrid Solver for an Atmospheric General Circulation Model Based on Semi-Implicit Semi-Lagrangian Advection of Potential Vorticity

NASA Technical Reports Server (NTRS)

McCormick, S.; Ruge, John W.

1998-01-01

This work represents a part of a project to develop an atmospheric general circulation model based on the semi-Lagrangian advection of potential vorticity (PC) with divergence as the companion prognostic variable.

X-ray tomography studies on porosity and particle size distribution in cast in-situ Al-Cu-TiB{sub 2} semi-solid forged composites

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

Mathew, James; Mandal, Animesh

X-ray computed tomography (XCT) was used to characterise the internal microstructure and clustering behaviour of TiB{sub 2} particles in in-situ processed Al-Cu metal matrix composites prepared by casting method. Forging was used in semi-solid state to reduce the porosity and to uniformly disperse TiB{sub 2} particles in the composite. Quantification of porosity and clustering of TiB{sub 2} particles was evaluated for different forging reductions (30% and 50% reductions) and compared with an as-cast sample using XCT. Results show that the porosity content was decreased by about 40% due to semi-solid forging as compared to the as-cast condition. Further, XCT resultsmore » show that the 30% forging reduction resulted in greater uniformity in distribution of TiB{sub 2} particles within the composite compared to as-cast and the 50% forge reduction in semi-solid state. These results show that the application of forging in semi-solid state enhances particle distribution and reduces porosity formation in cast in-situ Al-Cu-TiB{sub 2} metal matrix composites. - Highlights: •XCT was used to visualise 3D internal structure of Al-Cu-TiB{sub 2} MMCs. •Al-Cu-TiB{sub 2} MMC was prepared by casting using flux assisted synthesis method. •TiB{sub 2} particles and porosity size distribution were evaluated. •Results show that forging in semi-solid condition decreases the porosity content and improve the particle dispersion in MMCs.« less

Finite time step and spatial grid effects in δf simulation of warm plasmas

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

Sturdevant, Benjamin J., E-mail: benjamin.j.sturdevant@gmail.com; Department of Applied Mathematics, University of Colorado at Boulder, Boulder, CO 80309; Parker, Scott E.

2016-01-15

This paper introduces a technique for analyzing time integration methods used with the particle weight equations in δf method particle-in-cell (PIC) schemes. The analysis applies to the simulation of warm, uniform, periodic or infinite plasmas in the linear regime and considers the collective behavior similar to the analysis performed by Langdon for full-f PIC schemes [1,2]. We perform both a time integration analysis and spatial grid analysis for a kinetic ion, adiabatic electron model of ion acoustic waves. An implicit time integration scheme is studied in detail for δf simulations using our weight equation analysis and for full-f simulations usingmore » the method of Langdon. It is found that the δf method exhibits a CFL-like stability condition for low temperature ions, which is independent of the parameter characterizing the implicitness of the scheme. The accuracy of the real frequency and damping rate due to the discrete time and spatial schemes is also derived using a perturbative method. The theoretical analysis of numerical error presented here may be useful for the verification of simulations and for providing intuition for the design of new implicit time integration schemes for the δf method, as well as understanding differences between δf and full-f approaches to plasma simulation.« less

Penalty methods for the numerical solution of American multi-asset option problems

NASA Astrophysics Data System (ADS)

Nielsen, Bjørn Fredrik; Skavhaug, Ola; Tveito, Aslak

2008-12-01

We derive and analyze a penalty method for solving American multi-asset option problems. A small, non-linear penalty term is added to the Black-Scholes equation. This approach gives a fixed solution domain, removing the free and moving boundary imposed by the early exercise feature of the contract. Explicit, implicit and semi-implicit finite difference schemes are derived, and in the case of independent assets, we prove that the approximate option prices satisfy some basic properties of the American option problem. Several numerical experiments are carried out in order to investigate the performance of the schemes. We give examples indicating that our results are sharp. Finally, the experiments indicate that in the case of correlated underlying assets, the same properties are valid as in the independent case.

An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.; Barnes, D. C.

2011-08-01

This paper discusses a novel fully implicit formulation for a one-dimensional electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov-Poisson formulation), ours is based on a nonlinearly converged Vlasov-Ampére (VA) model. By iterating particles and fields to a tight nonlinear convergence tolerance, the approach features superior stability and accuracy properties, avoiding most of the accuracy pitfalls in earlier implicit PIC implementations. In particular, the formulation is stable against temporal (Courant-Friedrichs-Lewy) and spatial (aliasing) instabilities. It is charge- and energy-conserving to numerical round-off for arbitrary implicit time steps (unlike the earlier "energy-conserving" explicit PIC formulation, which only conserves energy in the limit of arbitrarily small time steps). While momentum is not exactly conserved, errors are kept small by an adaptive particle sub-stepping orbit integrator, which is instrumental to prevent particle tunneling (a deleterious effect for long-term accuracy). The VA model is orbit-averaged along particle orbits to enforce an energy conservation theorem with particle sub-stepping. As a result, very large time steps, constrained only by the dynamical time scale of interest, are possible without accuracy loss. Algorithmically, the approach features a Jacobian-free Newton-Krylov solver. A main development in this study is the nonlinear elimination of the new-time particle variables (positions and velocities). Such nonlinear elimination, which we term particle enslavement, results in a nonlinear formulation with memory requirements comparable to those of a fluid computation, and affords us substantial freedom in regards to the particle orbit integrator. Numerical examples are presented that demonstrate the advertised properties of the scheme. In particular, long-time ion acoustic wave simulations show that numerical accuracy does not degrade even with very large implicit time steps, and that significant CPU gains are possible.

Fast viscosity solutions for shape from shading under a more realistic imaging model

NASA Astrophysics Data System (ADS)

Wang, Guohui; Han, Jiuqiang; Jia, Honghai; Zhang, Xinman

2009-11-01

Shape from shading (SFS) has been a classical and important problem in the domain of computer vision. The goal of SFS is to reconstruct the 3-D shape of an object from its 2-D intensity image. To this end, an image irradiance equation describing the relation between the shape of a surface and its corresponding brightness variations is used. Then it is derived as an explicit partial differential equation (PDE). Using the nonlinear programming principle, we propose a detailed solution to Prados and Faugeras's implicit scheme for approximating the viscosity solution of the resulting PDE. Furthermore, by combining implicit and semi-implicit schemes, a new approximation scheme is presented. In order to accelerate the convergence speed, we adopt the Gauss-Seidel idea and alternating sweeping strategy to the approximation schemes. Experimental results on both synthetic and real images are performed to demonstrate that the proposed methods are fast and accurate.

Variational data assimilation with a semi-Lagrangian semi-implicit global shallow-water equation model and its adjoint

NASA Technical Reports Server (NTRS)

Li, Y.; Navon, I. M.; Courtier, P.; Gauthier, P.

1993-01-01

An adjoint model is developed for variational data assimilation using the 2D semi-Lagrangian semi-implicit (SLSI) shallow-water equation global model of Bates et al. with special attention being paid to the linearization of the interpolation routines. It is demonstrated that with larger time steps the limit of the validity of the tangent linear model will be curtailed due to the interpolations, especially in regions where sharp gradients in the interpolated variables coupled with strong advective wind occur, a synoptic situation common in the high latitudes. This effect is particularly evident near the pole in the Northern Hemisphere during the winter season. Variational data assimilation experiments of 'identical twin' type with observations available only at the end of the assimilation period perform well with this adjoint model. It is confirmed that the computational efficiency of the semi-Lagrangian scheme is preserved during the minimization process, related to the variational data assimilation procedure.

Implicit Assumptions in High Potentials Recruitment

ERIC Educational Resources Information Center

Posthumus, Jan; Bozer, Gil; Santora, Joseph C.

2016-01-01

Purpose: Professionals of human resources (HR) use different criteria in practice than they verbalize. Thus, the aim of this research was to identify the implicit criteria used for the selection of high-potential employees in recruitment and development settings in the pharmaceutical industry. Design/methodology/approach: A semi-structured…

Semi-implicit iterative methods for low Mach number turbulent reacting flows: Operator splitting versus approximate factorization

NASA Astrophysics Data System (ADS)

MacArt, Jonathan F.; Mueller, Michael E.

2016-12-01

Two formally second-order accurate, semi-implicit, iterative methods for the solution of scalar transport-reaction equations are developed for Direct Numerical Simulation (DNS) of low Mach number turbulent reacting flows. The first is a monolithic scheme based on a linearly implicit midpoint method utilizing an approximately factorized exact Jacobian of the transport and reaction operators. The second is an operator splitting scheme based on the Strang splitting approach. The accuracy properties of these schemes, as well as their stability, cost, and the effect of chemical mechanism size on relative performance, are assessed in two one-dimensional test configurations comprising an unsteady premixed flame and an unsteady nonpremixed ignition, which have substantially different Damköhler numbers and relative stiffness of transport to chemistry. All schemes demonstrate their formal order of accuracy in the fully-coupled convergence tests. Compared to a (non-)factorized scheme with a diagonal approximation to the chemical Jacobian, the monolithic, factorized scheme using the exact chemical Jacobian is shown to be both more stable and more economical. This is due to an improved convergence rate of the iterative procedure, and the difference between the two schemes in convergence rate grows as the time step increases. The stability properties of the Strang splitting scheme are demonstrated to outpace those of Lie splitting and monolithic schemes in simulations at high Damköhler number; however, in this regime, the monolithic scheme using the approximately factorized exact Jacobian is found to be the most economical at practical CFL numbers. The performance of the schemes is further evaluated in a simulation of a three-dimensional, spatially evolving, turbulent nonpremixed planar jet flame.

Advanced MHD Algorithm for Solar and Space Science: lst Year Semi Annual Progress Report

NASA Technical Reports Server (NTRS)

Schnack, Dalton D.; Lionello, Roberto

2003-01-01

We report progress for the development of MH4D for the first and second quarters of FY2004, December 29, 2002 - June 6, 2003. The present version of MH4D can now solve the full viscous and resistive MHD equations using either an explicit or a semi-implicit time advancement algorithm. In this report we describe progress in the following areas. During the two last quarters we have presented poster at the EGS-AGU-EUG Joint Assembly in Nice, France, April 6-11, 2003, and a poster at the 2003 International Sherwood Theory Conference in Corpus Christi, Texas, April 28-30 2003. In the area of code development, we have implemented the MHD equations and the semi-implicit algorithm. The new features have been tested.

Analysis of operator splitting errors for near-limit flame simulations

NASA Astrophysics Data System (ADS)

Lu, Zhen; Zhou, Hua; Li, Shan; Ren, Zhuyin; Lu, Tianfeng; Law, Chung K.

2017-04-01

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction-diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction of ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.

Analysis of operator splitting errors for near-limit flame simulations

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

Lu, Zhen; Zhou, Hua; Li, Shan

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction–diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction ofmore » ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.« less

Contact-aware simulations of particulate Stokesian suspensions

NASA Astrophysics Data System (ADS)

Lu, Libin; Rahimian, Abtin; Zorin, Denis

2017-10-01

We present an efficient, accurate, and robust method for simulation of dense suspensions of deformable and rigid particles immersed in Stokesian fluid in two dimensions. We use a well-established boundary integral formulation for the problem as the foundation of our approach. This type of formulation, with a high-order spatial discretization and an implicit and adaptive time discretization, have been shown to be able to handle complex interactions between particles with high accuracy. Yet, for dense suspensions, very small time-steps or expensive implicit solves as well as a large number of discretization points are required to avoid non-physical contact and intersections between particles, leading to infinite forces and numerical instability. Our method maintains the accuracy of previous methods at a significantly lower cost for dense suspensions. The key idea is to ensure interference-free configuration by introducing explicit contact constraints into the system. While such constraints are unnecessary in the formulation, in the discrete form of the problem, they make it possible to eliminate catastrophic loss of accuracy by preventing contact explicitly. Introducing contact constraints results in a significant increase in stable time-step size for explicit time-stepping, and a reduction in the number of points adequate for stability.

Semi-implicit integration factor methods on sparse grids for high-dimensional systems

NASA Astrophysics Data System (ADS)

Wang, Dongyong; Chen, Weitao; Nie, Qing

2015-07-01

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

Development of MPS Method for Analyzing Melt Spreading Behavior and MCCI in Severe Accidents

NASA Astrophysics Data System (ADS)

Yamaji, Akifumi; Li, Xin

2016-08-01

Spreading of molten core (corium) on reactor containment vessel floor and molten corium-concrete interaction (MCCI) are important phenomena in the late phase of a severe accident for assessment of the containment integrity and managing the severe accident. The severe accident research at Waseda University has been advancing to show that simulations with moving particle semi-implicit (MPS) method (one of the particle methods) can greatly improve the analytical capability and mechanical understanding of the melt behavior in severe accidents. MPS models have been developed and verified regarding calculations of radiation and thermal field, solid-liquid phase transition, buoyancy, and temperature dependency of viscosity to simulate phenomena, such as spreading of corium, ablation of concrete by the corium, crust formation and cooling of the corium by top flooding. Validations have been conducted against experiments such as FARO L26S, ECOKATS-V1, Theofanous, and SPREAD for spreading, SURC-2, SURC-4, SWISS-1, and SWISS-2 for MCCI. These validations cover melt spreading behaviors and MCCI by mixture of molten oxides (including prototypic UO2-ZrO2), metals, and water. Generally, the analytical results show good agreement with the experiment with respect to the leading edge of spreading melt and ablation front history of concrete. The MPS results indicate that crust formation may play important roles in melt spreading and MCCI. There is a need to develop a code for two dimensional MCCI experiment simulation with MPS method as future study, which will be able to simulate anisotropic ablation of concrete.

Integration of the shallow water equations on the sphere using a vector semi-Lagrangian scheme with a multigrid solver

NASA Technical Reports Server (NTRS)

Bates, J. R.; Semazzi, F. H. M.; Higgins, R. W.; Barros, Saulo R. M.

1990-01-01

A vector semi-Lagrangian semi-implicit two-time-level finite-difference integration scheme for the shallow water equations on the sphere is presented. A C-grid is used for the spatial differencing. The trajectory-centered discretization of the momentum equation in vector form eliminates pole problems and, at comparable cost, gives greater accuracy than a previous semi-Lagrangian finite-difference scheme which used a rotated spherical coordinate system. In terms of the insensitivity of the results to increasing timestep, the new scheme is as successful as recent spectral semi-Lagrangian schemes. In addition, the use of a multigrid method for solving the elliptic equation for the geopotential allows efficient integration with an operation count which, at high resolution, is of lower order than in the case of the spectral models. The properties of the new scheme should allow finite-difference models to compete with spectral models more effectively than has previously been possible.

Compaction of granular materials composed of deformable particles

NASA Astrophysics Data System (ADS)

Nguyen, Thanh Hai; Nezamabadi, Saeid; Delenne, Jean-Yves; Radjai, Farhang

2017-06-01

In soft particle materials such as metallic powders the particles can undergo large deformations without rupture. The large elastic or plastic deformations of the particles are expected to strongly affect the mechanical properties of these materials compared to hard particle materials more often considered in research on granular materials. Herein, two numerical approaches are proposed for the simulation of soft granular systems: (i) an implicit formulation of the Material Point Method (MPM) combined with the Contact Dynamics (CD) method to deal with contact interactions, and (i) Bonded Particle Model (BPM), in which each deformable particle is modeled as an aggregate of rigid primary particles using the CD method. These two approaches allow us to simulate the compaction of an assembly of elastic or plastic particles. By analyzing the uniaxial compaction of 2D soft particle packings, we investigate the effects of particle shape change on the stress-strain relationship and volume change behavior as well as the evolution of the microstructure.

Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part II: numerical testing

NASA Astrophysics Data System (ADS)

Rõõm, Rein; Männik, Aarne; Luhamaa, Andres; Zirk, Marko

2007-10-01

The semi-implicit semi-Lagrangian (SISL), two-time-level, non-hydrostatic numerical scheme, based on the non-hydrostatic, semi-elastic pressure-coordinate equations, is tested in model experiments with flow over given orography (elliptical hill, mountain ridge, system of successive ridges) in a rectangular domain with emphasis on the numerical accuracy and non-hydrostatic effect presentation capability. Comparison demonstrates good (in strong primary wave generation) to satisfactory (in weak secondary wave reproduction in some cases) consistency of the numerical modelling results with known stationary linear test solutions. Numerical stability of the developed model is investigated with respect to the reference state choice, modelling dynamics of a stationary front. The horizontally area-mean reference temperature proves to be the optimal stability warrant. The numerical scheme with explicit residual in the vertical forcing term becomes unstable for cross-frontal temperature differences exceeding 30 K. Stability is restored, if the vertical forcing is treated implicitly, which enables to use time steps, comparable with the hydrostatic SISL.

Forcing scheme analysis for the axisymmetric lattice Boltzmann method under incompressible limit.

PubMed

Zhang, Liangqi; Yang, Shiliang; Zeng, Zhong; Chen, Jie; Yin, Linmao; Chew, Jia Wei

2017-04-01

Because the standard lattice Boltzmann (LB) method is proposed for Cartesian Navier-Stokes (NS) equations, additional source terms are necessary in the axisymmetric LB method for representing the axisymmetric effects. Therefore, the accuracy and applicability of the axisymmetric LB models depend on the forcing schemes adopted for discretization of the source terms. In this study, three forcing schemes, namely, the trapezium rule based scheme, the direct forcing scheme, and the semi-implicit centered scheme, are analyzed theoretically by investigating their derived macroscopic equations in the diffusive scale. Particularly, the finite difference interpretation of the standard LB method is extended to the LB equations with source terms, and then the accuracy of different forcing schemes is evaluated for the axisymmetric LB method. Theoretical analysis indicates that the discrete lattice effects arising from the direct forcing scheme are part of the truncation error terms and thus would not affect the overall accuracy of the standard LB method with general force term (i.e., only the source terms in the momentum equation are considered), but lead to incorrect macroscopic equations for the axisymmetric LB models. On the other hand, the trapezium rule based scheme and the semi-implicit centered scheme both have the advantage of avoiding the discrete lattice effects and recovering the correct macroscopic equations. Numerical tests applied for validating the theoretical analysis show that both the numerical stability and the accuracy of the axisymmetric LB simulations are affected by the direct forcing scheme, which indicate that forcing schemes free of the discrete lattice effects are necessary for the axisymmetric LB method.

Tidal, Residual, Intertidal Mudflat (TRIM) Model and its Applications to San Francisco Bay, California

USGS Publications Warehouse

Cheng, R.T.; Casulli, V.; Gartner, J.W.

1993-01-01

A numerical model using a semi-implicit finite-difference method for solving the two-dimensional shallow-water equations is presented. The gradient of the water surface elevation in the momentum equations and the velocity divergence in the continuity equation are finite-differenced implicitly, the remaining terms are finite-differenced explicitly. The convective terms are treated using an Eulerian-Lagrangian method. The combination of the semi-implicit finite-difference solution for the gravity wave propagation, and the Eulerian-Lagrangian treatment of the convective terms renders the numerical model unconditionally stable. When the baroclinic forcing is included, a salt transport equation is coupled to the momentum equations, and the numerical method is subject to a weak stability condition. The method of solution and the properties of the numerical model are given. This numerical model is particularly suitable for applications to coastal plain estuaries and tidal embayments in which tidal currents are dominant, and tidally generated residual currents are important. The model is applied to San Francisco Bay, California where extensive historical tides and current-meter data are available. The model calibration is considered by comparing time-series of the field data and of the model results. Alternatively, and perhaps more meaningfully, the model is calibrated by comparing the harmonic constants of tides and tidal currents derived from field data with those derived from the model. The model is further verified by comparing the model results with an independent data set representing the wet season. The strengths and the weaknesses of the model are assessed based on the results of model calibration and verification. Using the model results, the properties of tides and tidal currents in San Francisco Bay are characterized and discussed. Furthermore, using the numerical model, estimates of San Francisco Bay's volume, surface area, mean water depth, tidal prisms, and tidal excursions at spring and neap tides are computed. Additional applications of the model reveal, qualitatively the spatial distribution of residual variables. ?? 1993 Academic Press. All rights reserved.

Development of a Charge-Implicit ReaxFF Potential for Hydrocarbon Systems.

PubMed

Kański, Michał; Maciążek, Dawid; Postawa, Zbigniew; Ashraf, Chowdhury M; van Duin, Adri C T; Garrison, Barbara J

2018-01-18

Molecular dynamics (MD) simulations continue to make important contributions to understanding chemical and physical processes. Concomitant with the growth of MD simulations is the need to have interaction potentials that both represent the chemistry of the system and are computationally efficient. We propose a modification to the ReaxFF potential for carbon and hydrogen that eliminates the time-consuming charge equilibration, eliminates the acknowledged flaws of the electronegativity equalization method, includes an expanded training set for condensed phases, has a repulsive wall for simulations of energetic particle bombardment, and is compatible with the LAMMPS code. This charge-implicit ReaxFF potential is five times faster than the conventional ReaxFF potential for a simulation of keV particle bombardment with a sample size of over 800 000 atoms.

Assessing implicit models for nonpolar mean solvation forces: The importance of dispersion and volume terms

PubMed Central

Wagoner, Jason A.; Baker, Nathan A.

2006-01-01

Continuum solvation models provide appealing alternatives to explicit solvent methods because of their ability to reproduce solvation effects while alleviating the need for expensive sampling. Our previous work has demonstrated that Poisson-Boltzmann methods are capable of faithfully reproducing polar explicit solvent forces for dilute protein systems; however, the popular solvent-accessible surface area model was shown to be incapable of accurately describing nonpolar solvation forces at atomic-length scales. Therefore, alternate continuum methods are needed to reproduce nonpolar interactions at the atomic scale. In the present work, we address this issue by supplementing the solvent-accessible surface area model with additional volume and dispersion integral terms suggested by scaled particle models and Weeks–Chandler–Andersen theory, respectively. This more complete nonpolar implicit solvent model shows very good agreement with explicit solvent results and suggests that, although often overlooked, the inclusion of appropriate dispersion and volume terms are essential for an accurate implicit solvent description of atomic-scale nonpolar forces. PMID:16709675

Multidimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Chacon, Luis

2015-09-01

We discuss a new, conservative, fully implicit 2D-3V particle-in-cell algorithm for non-radiative, electromagnetic kinetic plasma simulations, based on the Vlasov-Darwin model. Unlike earlier linearly implicit PIC schemes and standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. This has been demonstrated in 1D electrostatic and electromagnetic contexts. In this study, we build on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the Darwin field and particle orbit equations for multiple species in multiple dimensions. The Vlasov-Darwin model is very attractive for PIC simulations because it avoids radiative noise issues in non-radiative electromagnetic regimes. The algorithm conserves global energy, local charge, and particle canonical-momentum exactly, even with grid packing. The nonlinear iteration is effectively accelerated with a fluid preconditioner, which allows efficient use of large timesteps, O(√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D and 2D. Support from the LANL LDRD program and the DOE-SC ASCR office.

An implicit dispersive transport algorithm for the US Geological Survey MOC3D solute-transport model

USGS Publications Warehouse

Kipp, K.L.; Konikow, Leonard F.; Hornberger, G.Z.

1998-01-01

This report documents an extension to the U.S. Geological Survey MOC3D transport model that incorporates an implicit-in-time difference approximation for the dispersive transport equation, including source/sink terms. The original MOC3D transport model (Version 1) uses the method of characteristics to solve the transport equation on the basis of the velocity field. The original MOC3D solution algorithm incorporates particle tracking to represent advective processes and an explicit finite-difference formulation to calculate dispersive fluxes. The new implicit procedure eliminates several stability criteria required for the previous explicit formulation. This allows much larger transport time increments to be used in dispersion-dominated problems. The decoupling of advective and dispersive transport in MOC3D, however, is unchanged. With the implicit extension, the MOC3D model is upgraded to Version 2. A description of the numerical method of the implicit dispersion calculation, the data-input requirements and output options, and the results of simulator testing and evaluation are presented. Version 2 of MOC3D was evaluated for the same set of problems used for verification of Version 1. These test results indicate that the implicit calculation of Version 2 matches the accuracy of Version 1, yet is more efficient than the explicit calculation for transport problems that are characterized by a grid Peclet number less than about 1.0.

A Fourier collocation time domain method for numerically solving Maxwell's equations

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1991-01-01

A new method for solving Maxwell's equations in the time domain for arbitrary values of permittivity, conductivity, and permeability is presented. Spatial derivatives are found by a Fourier transform method and time integration is performed using a second order, semi-implicit procedure. Electric and magnetic fields are collocated on the same grid points, rather than on interleaved points, as in the Finite Difference Time Domain (FDTD) method. Numerical results are presented for the propagation of a 2-D Transverse Electromagnetic (TEM) mode out of a parallel plate waveguide and into a dielectric and conducting medium.

Exact charge and energy conservation in implicit PIC with mapped computational meshes

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

Chen, Guangye; Barnes, D. C.

This paper discusses a novel fully implicit formulation for a one-dimensional electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov Poisson formulation), ours is based on a nonlinearly converged Vlasov Amp re (VA) model. By iterating particles and fields to a tight nonlinear convergence tolerance, the approach features superior stability and accuracy properties, avoiding most of the accuracy pitfalls in earlier implicit PIC implementations. In particular, the formulation is stable against temporal (Courant Friedrichs Lewy) and spatial (aliasing) instabilities. It is charge- and energy-conserving to numerical round-off for arbitrary implicitmore » time steps (unlike the earlier energy-conserving explicit PIC formulation, which only conserves energy in the limit of arbitrarily small time steps). While momentum is not exactly conserved, errors are kept small by an adaptive particle sub-stepping orbit integrator, which is instrumental to prevent particle tunneling (a deleterious effect for long-term accuracy). The VA model is orbit-averaged along particle orbits to enforce an energy conservation theorem with particle sub-stepping. As a result, very large time steps, constrained only by the dynamical time scale of interest, are possible without accuracy loss. Algorithmically, the approach features a Jacobian-free Newton Krylov solver. A main development in this study is the nonlinear elimination of the new-time particle variables (positions and velocities). Such nonlinear elimination, which we term particle enslavement, results in a nonlinear formulation with memory requirements comparable to those of a fluid computation, and affords us substantial freedom in regards to the particle orbit integrator. Numerical examples are presented that demonstrate the advertised properties of the scheme. In particular, long-time ion acoustic wave simulations show that numerical accuracy does not degrade even with very large implicit time steps, and that significant CPU gains are possible.« less

Towards development of enhanced fully-Lagrangian mesh-free computational methods for fluid-structure interaction

NASA Astrophysics Data System (ADS)

Khayyer, Abbas; Gotoh, Hitoshi; Falahaty, Hosein; Shimizu, Yuma

2018-02-01

Simulation of incompressible fluid flow-elastic structure interactions is targeted by using fully-Lagrangian mesh-free computational methods. A projection-based fluid model (moving particle semi-implicit (MPS)) is coupled with either a Newtonian or a Hamiltonian Lagrangian structure model (MPS or HMPS) in a mathematically-physically consistent manner. The fluid model is founded on the solution of Navier-Stokes and continuity equations. The structure models are configured either in the framework of Newtonian mechanics on the basis of conservation of linear and angular momenta, or Hamiltonian mechanics on the basis of variational principle for incompressible elastodynamics. A set of enhanced schemes are incorporated for projection-based fluid model (Enhanced MPS), thus, the developed coupled solvers for fluid structure interaction (FSI) are referred to as Enhanced MPS-MPS and Enhanced MPS-HMPS. Besides, two smoothed particle hydrodynamics (SPH)-based FSI solvers, being developed by the authors, are considered and their potential applicability and comparable performance are briefly discussed in comparison with MPS-based FSI solvers. The SPH-based FSI solvers are established through coupling of projection-based incompressible SPH (ISPH) fluid model and SPH-based Newtonian/Hamiltonian structure models, leading to Enhanced ISPH-SPH and Enhanced ISPH-HSPH. A comparative study is carried out on the performances of the FSI solvers through a set of benchmark tests, including hydrostatic water column on an elastic plate, high speed impact of an elastic aluminum beam, hydroelastic slamming of a marine panel and dam break with elastic gate.

A Semi-implicit Treatment of Porous Media in Steady-State CFD.

PubMed

Domaingo, Andreas; Langmayr, Daniel; Somogyi, Bence; Almbauer, Raimund

There are many situations in computational fluid dynamics which require the definition of source terms in the Navier-Stokes equations. These source terms not only allow to model the physics of interest but also have a strong impact on the reliability, stability, and convergence of the numerics involved. Therefore, sophisticated numerical approaches exist for the description of such source terms. In this paper, we focus on the source terms present in the Navier-Stokes or Euler equations due to porous media-in particular the Darcy-Forchheimer equation. We introduce a method for the numerical treatment of the source term which is independent of the spatial discretization and based on linearization. In this description, the source term is treated in a fully implicit way whereas the other flow variables can be computed in an implicit or explicit manner. This leads to a more robust description in comparison with a fully explicit approach. The method is well suited to be combined with coarse-grid-CFD on Cartesian grids, which makes it especially favorable for accelerated solution of coupled 1D-3D problems. To demonstrate the applicability and robustness of the proposed method, a proof-of-concept example in 1D, as well as more complex examples in 2D and 3D, is presented.

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.

Parallel Computing of Upwelling in a Rotating Stratified Flow

NASA Astrophysics Data System (ADS)

Cui, A.; Street, R. L.

1997-11-01

A code for the three-dimensional, unsteady, incompressible, and turbulent flow has been implemented on the IBM SP2, using message passing. The effects of rotation and variable density are included. A finite volume method is used to discretize the Navier-Stokes equations in general curvilinear coordinates on a non-staggered grid. All the spatial derivatives are approximated using second-order central differences with the exception of the convection terms, which are handled with special upwind-difference schemes. The semi-implicit, second-order accurate, time-advancement scheme employs the Adams-Bashforth method for the explicit terms and Crank-Nicolson for the implicit terms. A multigrid method, with the four-color ZEBRA as smoother, is used to solve the Poisson equation for pressure, while the momentum equations are solved with an approximate factorization technique. The code was successfully validated for a variety test cases. Simulations of a laboratory model of coastal upwelling in a rotating annulus are in progress and will be presented.

An analytical particle mover for the charge- and energy-conserving, nonlinearly implicit, electrostatic particle-in-cell algorithm

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.

2013-08-01

We propose a 1D analytical particle mover for the recent charge- and energy-conserving electrostatic particle-in-cell (PIC) algorithm in Ref. [G. Chen, L. Chacón, D.C. Barnes, An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm, Journal of Computational Physics 230 (2011) 7018-7036]. The approach computes particle orbits exactly for a given piece-wise linear electric field. The resulting PIC algorithm maintains the exact charge and energy conservation properties of the original algorithm, but with improved performance (both in efficiency and robustness against the number of particles and timestep). We demonstrate the advantageous properties of the scheme with a challenging multiscale numerical test case, the ion acoustic wave. Using the analytical mover as a reference, we demonstrate that the choice of error estimator in the Crank-Nicolson mover has significant impact on the overall performance of the implicit PIC algorithm. The generalization of the approach to the multi-dimensional case is outlined, based on a novel and simple charge conserving interpolation scheme.

Numerical simulation of steady three-dimensional flows in axial turbomachinery bladerows

NASA Astrophysics Data System (ADS)

Basson, Anton Herman

The formulation for and application of a numerical model for low Mach number steady three-dimensional flows in axial turbomachinery blade rows is presented. The formulation considered here includes an efficient grid generation scheme (particularly suited to computational grids for the analysis of turbulent turbomachinery flows) and a semi-implicit, pressure-based computational fluid dynamics scheme that directly includes artificial dissipation, applicable to viscous and inviscid flows. The grid generation technique uses a combination of algebraic and elliptic methods, in conjunction with the Minimal Residual Method, to economically generate smooth structured grids. For typical H-grids in turbomachinery bladerows, when compared to a purely elliptic grid generation scheme, the presented grid generation scheme produces grids with much improved smoothness near the leading and trailing edges, allows the use of small near wall grid spacing required by low Reynolds number turbulence models, and maintains orthogonality of the grid near the solid boundaries even for high flow angle cascades. A specialized embedded H-grid for application particularly to tip clearance flows is presented. This topology smoothly discretizes the domain without modifying the tip shape, while requiring only minor modifications to H-grid flow solvers. Better quantitative modeling of the tip clearance vortex structure than that obtained with a pinched tip approximation is demonstrated. The formulation of artificial dissipation terms for a semi-implicit, pressure-based (SIMPLE type) flow solver, is presented. It is applied to both the Euler and the Navier-Stokes equations, expressed in generalized coordinates using a non-staggered grid. This formulation is compared to some SIMPLE and time marching formulations, revealing the artificial dissipation inherent in some commonly used semi-implicit formulations. The effect of the amount of dissipation on the accuracy of the solution and the convergence rate is quantitatively demonstrated for a number of flow cases. The ability of the formulation to model complex steady turbomachinery flows is demonstrated, e.g. for pressure driven secondary flows, turbine nozzle wakes, turbulent boundary layers. The formulation's modeling of blade surface heat transfer is assessed. The numerical model is used to investigate the structure of phenomena associated with tip clearance flows in a turbine nozzle.

A semi-automated Raman micro-spectroscopy method for morphological and chemical characterizations of microplastic litter.

PubMed

L, Frère; I, Paul-Pont; J, Moreau; P, Soudant; C, Lambert; A, Huvet; E, Rinnert

2016-12-15

Every step of microplastic analysis (collection, extraction and characterization) is time-consuming, representing an obstacle to the implementation of large scale monitoring. This study proposes a semi-automated Raman micro-spectroscopy method coupled to static image analysis that allows the screening of a large quantity of microplastic in a time-effective way with minimal machine operator intervention. The method was validated using 103 particles collected at the sea surface spiked with 7 standard plastics: morphological and chemical characterization of particles was performed in <3h. The method was then applied to a larger environmental sample (n=962 particles). The identification rate was 75% and significantly decreased as a function of particle size. Microplastics represented 71% of the identified particles and significant size differences were observed: polystyrene was mainly found in the 2-5mm range (59%), polyethylene in the 1-2mm range (40%) and polypropylene in the 0.335-1mm range (42%). Copyright © 2016 Elsevier Ltd. All rights reserved.

An Operator-Integration-Factor Splitting (OIFS) method for Incompressible Flows in Moving Domains

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

Patel, Saumil S.; Fischer, Paul F.; Min, Misun

In this paper, we present a characteristic-based numerical procedure for simulating incompressible flows in domains with moving boundaries. Our approach utilizes an operator-integration-factor splitting technique to help produce an effcient and stable numerical scheme. Using the spectral element method and an arbitrary Lagrangian-Eulerian formulation, we investigate flows where the convective acceleration effects are non-negligible. Several examples, ranging from laminar to turbulent flows, are considered. Comparisons with a standard, semi-implicit time-stepping procedure illustrate the improved performance of the scheme.

Diffusiophoresis in one-dimensional solute gradients

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

Ault, Jesse T.; Warren, Patrick B.; Shin, Sangwoo

Here, the diffusiophoretic motion of suspended colloidal particles under one-dimensional solute gradients is solved using numerical and analytical techniques. Similarity solutions are developed for the injection and withdrawal dynamics of particles into semi-infinite pores. Furthermore, a method of characteristics formulation of the diffusion-free particle transport model is presented and integrated to realize particle trajectories. Analytical solutions are presented for the limit of small particle diffusiophoretic mobility Γ p relative to the solute diffusivity D s for particle motions in both semi-infinite and finite domains. Results confirm the build up of local maxima and minima in the propagating particle front dynamics.more » The method of characteristics is shown to successfully predict particle motions and the position of the particle front, although it fails to accurately predict suspended particle concentrations in the vicinity of sharp gradients, such as at the particle front peak seen in some injection cases, where particle diffusion inevitably plays an important role. Results inform the design of applications in which the use of applied solute gradients can greatly enhance particle injection into and withdrawal from pores.« less

Implicit particle filtering for equations with partial noise and application to geomagnetic data assimilation

NASA Astrophysics Data System (ADS)

Morzfeld, M.; Atkins, E.; Chorin, A. J.

2011-12-01

The task in data assimilation is to identify the state of a system from an uncertain model supplemented by a stream of incomplete and noisy data. The model is typically given in form of a discretization of an Ito stochastic differential equation (SDE), x(n+1) = R(x(n))+ G W(n), where x is an m-dimensional vector and n=0,1,2,.... The m-dimensional vector function R and the m x m matrix G depend on the SDE as well as on the discretization scheme, and W is an m-dimensional vector whose elements are independent standard normal variates. The data are y(n) = h(x(n))+QV(n) where h is a k-dimensional vector function, Q is a k x k matrix and V is a vector whose components are independent standard normal variates. One can use statistics of the conditional probability density (pdf) of the state given the observations, p(n+1)=p(x(n+1)|y(1), ... , y(n+1)), to identify the state x(n+1). Particle filters approximate p(n+1) by sequential Monte Carlo and rely on the recursive formulation of the target pdf, p(n+1)∝p(x(n+1)|x(n)) p(y(n+1)|x(n+1)). The pdf p(x(n+1)|x(n)) can be read off of the model equations to be a Gaussian with mean R(x(n)) and covariance matrix Σ = GG^T, where the T denotes a transposed; the pdf p(y(n+1)|x(n+1)) is a Gaussian with mean h(x(n+1)) and covariance QQ^T. In a sampling-importance-resampling (SIR) filter one samples new values for the particles from a prior pdf and then one weighs these samples with weights determined by the observations, to yield an approximation to p(n+1). Such weighting schemes often yield small weights for many of the particles. Implicit particle filtering overcomes this problem by using the observations to generate the particles, thus focusing attention on regions of large probability. A suitable algebraic equation that depends on the model and the observations is constructed for each particle, and its solution yields high probability samples of p(n+1). In the current formulation of the implicit particle filter, the state covariance matrix Σ is assumed to be non-singular. In the present work we consider the case where the covariance Σ is singular. This happens in particular when the noise is spatially smooth and can be represented by a small number of Fourier coefficients, as is often the case in geophysical applications. We derive an implicit filter for this problem and show that it is very efficient, because the filter operates in a space whose dimension is the rank of Σ, rather than the full model dimension. We compare the implicit filter to SIR, to the Ensemble Kalman Filter and to variational methods, and also study how information from data is propagated from observed to unobserved variables. We illustrate the theory on two coupled nonlinear PDE's in one space dimension that have been used as a test-bed for geomagnetic data assimilation. We observe that the implicit filter gives good results with few (2-10) particles, while SIR requires thousands of particles for similar accuracy. We also find lower limits to the accuracy of the filter's reconstruction as a function of data availability.

Time-independent hybrid enrichment for finite element solution of transient conduction–radiation in diffusive grey media

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

Mohamed, M. Shadi, E-mail: m.s.mohamed@durham.ac.uk; Seaid, Mohammed; Trevelyan, Jon

2013-10-15

We investigate the effectiveness of the partition-of-unity finite element method for transient conduction–radiation problems in diffusive grey media. The governing equations consist of a semi-linear transient heat equation for the temperature field and a stationary diffusion approximation to the radiation in grey media. The coupled equations are integrated in time using a semi-implicit method in the finite element framework. We show that for the considered problems, a combination of hyperbolic and exponential enrichment functions based on an approximation of the boundary layer leads to improved accuracy compared to the conventional finite element method. It is illustrated that this approach canmore » be more efficient than using h adaptivity to increase the accuracy of the finite element method near the boundary walls. The performance of the proposed partition-of-unity method is analyzed on several test examples for transient conduction–radiation problems in two space dimensions.« less

Parametric FEM for geometric biomembranes

NASA Astrophysics Data System (ADS)

Bonito, Andrea; Nochetto, Ricardo H.; Sebastian Pauletti, M.

2010-05-01

We consider geometric biomembranes governed by an L2-gradient flow for bending energy subject to area and volume constraints (Helfrich model). We give a concise derivation of a novel vector formulation, based on shape differential calculus, and corresponding discretization via parametric FEM using quadratic isoparametric elements and a semi-implicit Euler method. We document the performance of the new parametric FEM with a number of simulations leading to dumbbell, red blood cell and toroidal equilibrium shapes while exhibiting large deformations.

An efficient semi-implicit method for three-dimensional non-hydrostatic flows in compliant arterial vessels.

PubMed

Fambri, Francesco; Dumbser, Michael; Casulli, Vincenzo

2014-11-01

Blood flow in arterial systems can be described by the three-dimensional Navier-Stokes equations within a time-dependent spatial domain that accounts for the elasticity of the arterial walls. In this article, blood is treated as an incompressible Newtonian fluid that flows through compliant vessels of general cross section. A three-dimensional semi-implicit finite difference and finite volume model is derived so that numerical stability is obtained at a low computational cost on a staggered grid. The key idea of the method consists in a splitting of the pressure into a hydrostatic and a non-hydrostatic part, where first a small quasi-one-dimensional nonlinear system is solved for the hydrostatic pressure and only in a second step the fully three-dimensional non-hydrostatic pressure is computed from a three-dimensional nonlinear system as a correction to the hydrostatic one. The resulting algorithm is robust, efficient, locally and globally mass conservative, and applies to hydrostatic and non-hydrostatic flows in one, two and three space dimensions. These features are illustrated on nontrivial test cases for flows in tubes with circular or elliptical cross section where the exact analytical solution is known. Test cases of steady and pulsatile flows in uniformly curved rigid and elastic tubes are presented. Wherever possible, axial velocity development and secondary flows are shown and compared with previously published results. Copyright © 2014 John Wiley & Sons, Ltd.

Unified gas-kinetic scheme with multigrid convergence for rarefied flow study

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2017-09-01

The unified gas kinetic scheme (UGKS) is based on direct modeling of gas dynamics on the mesh size and time step scales. With the modeling of particle transport and collision in a time-dependent flux function in a finite volume framework, the UGKS can connect the flow physics smoothly from the kinetic particle transport to the hydrodynamic wave propagation. In comparison with the direct simulation Monte Carlo (DSMC) method, the current equation-based UGKS can implement implicit techniques in the updates of macroscopic conservative variables and microscopic distribution functions. The implicit UGKS significantly increases the convergence speed for steady flow computations, especially in the highly rarefied and near continuum regimes. In order to further improve the computational efficiency, for the first time, a geometric multigrid technique is introduced into the implicit UGKS, where the prediction step for the equilibrium state and the evolution step for the distribution function are both treated with multigrid acceleration. More specifically, a full approximate nonlinear system is employed in the prediction step for fast evaluation of the equilibrium state, and a correction linear equation is solved in the evolution step for the update of the gas distribution function. As a result, convergent speed has been greatly improved in all flow regimes from rarefied to the continuum ones. The multigrid implicit UGKS (MIUGKS) is used in the non-equilibrium flow study, which includes microflow, such as lid-driven cavity flow and the flow passing through a finite-length flat plate, and high speed one, such as supersonic flow over a square cylinder. The MIUGKS shows 5-9 times efficiency increase over the previous implicit scheme. For the low speed microflow, the efficiency of MIUGKS is several orders of magnitude higher than the DSMC. Even for the hypersonic flow at Mach number 5 and Knudsen number 0.1, the MIUGKS is still more than 100 times faster than the DSMC method for obtaining a convergent steady state solution.

Boundary effect on the elastic field of a semi-infinite solid containing inhomogeneities

PubMed Central

Liu, Y. J.; Song, G.; Yin, H. M.

2015-01-01

The boundary effect of one inhomogeneity embedded in a semi-infinite solid at different depths has firstly been investigated using the fundamental solution for Mindlin's problem. Expanding the eigenstrain in a polynomial form and using the Eshelby's equivalent inclusion method, one can calculate the eigenstrain and thus obtain the elastic field. When the inhomogeneity is far from the boundary, the solution recovers Eshelby's solution. The method has been extended to a many-particle system in a semi-infinite solid, which is first demonstrated by the cases of two spheres. The comparison of the asymptotic form solution with the finite-element results shows the accuracy and capability of this method. The solution has been used to illustrate the boundary effects on its effective material behaviour of a semi-infinite simple cubic lattice particulate composite. The local field of a semi-infinite composite has been calculated at different volume fractions. A representative unit cell has been taken with different depths to the surface. The average stress and strain of the unit cell have been calculated under uniform loading conditions of normal or shear force on the surface, respectively. The effective elastic moduli of the unit cell not only depend on the material proportion, but also on its distance to the surface. The present model can be extended to other types of particle distribution and ellipsoidal particles. PMID:26345084

Boundary effect on the elastic field of a semi-infinite solid containing inhomogeneities.

PubMed

Liu, Y J; Song, G; Yin, H M

2015-07-08

The boundary effect of one inhomogeneity embedded in a semi-infinite solid at different depths has firstly been investigated using the fundamental solution for Mindlin's problem. Expanding the eigenstrain in a polynomial form and using the Eshelby's equivalent inclusion method, one can calculate the eigenstrain and thus obtain the elastic field. When the inhomogeneity is far from the boundary, the solution recovers Eshelby's solution. The method has been extended to a many-particle system in a semi-infinite solid, which is first demonstrated by the cases of two spheres. The comparison of the asymptotic form solution with the finite-element results shows the accuracy and capability of this method. The solution has been used to illustrate the boundary effects on its effective material behaviour of a semi-infinite simple cubic lattice particulate composite. The local field of a semi-infinite composite has been calculated at different volume fractions. A representative unit cell has been taken with different depths to the surface. The average stress and strain of the unit cell have been calculated under uniform loading conditions of normal or shear force on the surface, respectively. The effective elastic moduli of the unit cell not only depend on the material proportion, but also on its distance to the surface. The present model can be extended to other types of particle distribution and ellipsoidal particles.

An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

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

Snider, D.M.; O`Rourke, P.J.; Andrews, M.J.

1997-06-01

A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles,more » with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.« less

Convergence and stability of the exponential Euler method for semi-linear stochastic delay differential equations.

PubMed

Zhang, Ling

2017-01-01

The main purpose of this paper is to investigate the strong convergence and exponential stability in mean square of the exponential Euler method to semi-linear stochastic delay differential equations (SLSDDEs). It is proved that the exponential Euler approximation solution converges to the analytic solution with the strong order [Formula: see text] to SLSDDEs. On the one hand, the classical stability theorem to SLSDDEs is given by the Lyapunov functions. However, in this paper we study the exponential stability in mean square of the exact solution to SLSDDEs by using the definition of logarithmic norm. On the other hand, the implicit Euler scheme to SLSDDEs is known to be exponentially stable in mean square for any step size. However, in this article we propose an explicit method to show that the exponential Euler method to SLSDDEs is proved to share the same stability for any step size by the property of logarithmic norm.

Functionalizable hydrogel microparticles of tunable size and stiffness for soft-tissue filler applications

PubMed Central

Chan, Ka Man Carmen; Li, Randolph H.; Chapman, Joseph W.; Trac, Eric M.; Kobler, James B.; Zeitels, Steven M.; Langer, Robert; Karajanagi, Sandeep S.

2014-01-01

Particle size, stiffness and surface functionality are important in determining the injection site, safety and efficacy of injectable soft-tissue fillers. Methods to produce soft injectable biomaterials with controlled particle characteristics are therefore desirable. Here we report a method based on suspension photopolymerization and semi-interpenetrating network (semi-IPN) to synthesize soft, functionalizable, spherical hydrogel microparticles (MP) of independently tunable size and stiffness. MP were prepared using acrylated forms of polyethylene glycol (PEG), gelatin and hyaluronic acid. Semi-IPN MP of PEG-diacrylate and PEG were used to study the effect of process parameters on particle characteristics. The process parameters were systematically varied to produce MP with size ranging from 115 to 515 μm and stiffness ranging from 190 to 1600 Pa. In vitro studies showed that the MP thus prepared were cytocompatible. The ratio and identity of the polymers used to make the semi-IPN MP were varied to control their stiffness and to introduce amine groups for potential functionalization. Slow-release polymeric particles loaded with Rhodamine or dexamethasone were incorporated in the MP as a proof-of-principle of drug incorporation and release from the MP. This work has implications in preparing injectable biomaterials of natural or synthetic polymers for applications as soft-tissue fillers. PMID:24561708

Microwaving of normally opaque and semi-opaque substances

DOEpatents

Sheinberg, Haskell; Meek, Thomas T.; Blake, Rodger D.

1990-01-01

Method of heating small particles using microwave radiation which are not normally capable of being heated by microwaves. The surfaces of the particles are coated with a material which is transparent to microwave radiation in order to cause microwave coupling to the particles and thus accomplish heating of the particles.

Finite-difference model for 3-D flow in bays and estuaries

USGS Publications Warehouse

Smith, Peter E.; Larock, Bruce E.; ,

1993-01-01

This paper describes a semi-implicit finite-difference model for the numerical solution of three-dimensional flow in bays and estuaries. The model treats the gravity wave and vertical diffusion terms in the governing equations implicitly, and other terms explicitly. The model achieves essentially second-order accurate and stable solutions in strongly nonlinear problems by using a three-time-level leapfrog-trapezoidal scheme for the time integration.

TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

1993-01-01

A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid-structure interaction, and free surface flow: Part I

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes-wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries-and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid-structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier-Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau-Rayleigh instability in water ripple free surface flow. These last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid-structure interaction, and free surface flow: Part II

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes-wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries-and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid-structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier-Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau-Rayleigh instability in water ripple free surface flow. These last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

Iterative spectral methods and spectral solutions to compressible flows

NASA Technical Reports Server (NTRS)

Hussaini, M. Y.; Zang, T. A.

1982-01-01

A spectral multigrid scheme is described which can solve pseudospectral discretizations of self-adjoint elliptic problems in O(N log N) operations. An iterative technique for efficiently implementing semi-implicit time-stepping for pseudospectral discretizations of Navier-Stokes equations is discussed. This approach can handle variable coefficient terms in an effective manner. Pseudospectral solutions of compressible flow problems are presented. These include one dimensional problems and two dimensional Euler solutions. Results are given both for shock-capturing approaches and for shock-fitting ones.

Projection-based stabilization of interface Lagrange multipliers in immersogeometric fluid-thin structure interaction analysis, with application to heart valve modeling.

PubMed

Kamensky, David; Evans, John A; Hsu, Ming-Chen; Bazilevs, Yuri

2017-11-01

This paper discusses a method of stabilizing Lagrange multiplier fields used to couple thin immersed shell structures and surrounding fluids. The method retains essential conservation properties by stabilizing only the portion of the constraint orthogonal to a coarse multiplier space. This stabilization can easily be applied within iterative methods or semi-implicit time integrators that avoid directly solving a saddle point problem for the Lagrange multiplier field. Heart valve simulations demonstrate applicability of the proposed method to 3D unsteady simulations. An appendix sketches the relation between the proposed method and a high-order-accurate approach for simpler model problems.

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

NASA Astrophysics Data System (ADS)

Doisneau, François; Arienti, Marco; Oefelein, Joseph C.

2017-01-01

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier-Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle-particle coupling barely influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.

Haptics-based dynamic implicit solid modeling.

PubMed

Hua, Jing; Qin, Hong

2004-01-01

This paper systematically presents a novel, interactive solid modeling framework, Haptics-based Dynamic Implicit Solid Modeling, which is founded upon volumetric implicit functions and powerful physics-based modeling. In particular, we augment our modeling framework with a haptic mechanism in order to take advantage of additional realism associated with a 3D haptic interface. Our dynamic implicit solids are semi-algebraic sets of volumetric implicit functions and are governed by the principles of dynamics, hence responding to sculpting forces in a natural and predictable manner. In order to directly manipulate existing volumetric data sets as well as point clouds, we develop a hierarchical fitting algorithm to reconstruct and represent discrete data sets using our continuous implicit functions, which permit users to further design and edit those existing 3D models in real-time using a large variety of haptic and geometric toolkits, and visualize their interactive deformation at arbitrary resolution. The additional geometric and physical constraints afford more sophisticated control of the dynamic implicit solids. The versatility of our dynamic implicit modeling enables the user to easily modify both the geometry and the topology of modeled objects, while the inherent physical properties can offer an intuitive haptic interface for direct manipulation with force feedback.

The Secondary Organic Aerosol Processor (SOAP v1.0) model: a unified model with different ranges of complexity based on the molecular surrogate approach

NASA Astrophysics Data System (ADS)

Couvidat, F.; Sartelet, K.

2015-04-01

In this paper the Secondary Organic Aerosol Processor (SOAP v1.0) model is presented. This model determines the partitioning of organic compounds between the gas and particle phases. It is designed to be modular with different user options depending on the computation time and the complexity required by the user. This model is based on the molecular surrogate approach, in which each surrogate compound is associated with a molecular structure to estimate some properties and parameters (hygroscopicity, absorption into the aqueous phase of particles, activity coefficients and phase separation). Each surrogate can be hydrophilic (condenses only into the aqueous phase of particles), hydrophobic (condenses only into the organic phases of particles) or both (condenses into both the aqueous and the organic phases of particles). Activity coefficients are computed with the UNIFAC (UNIversal Functional group Activity Coefficient; Fredenslund et al., 1975) thermodynamic model for short-range interactions and with the Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) parameterization for medium- and long-range interactions between electrolytes and organic compounds. Phase separation is determined by Gibbs energy minimization. The user can choose between an equilibrium representation and a dynamic representation of organic aerosols (OAs). In the equilibrium representation, compounds in the particle phase are assumed to be at equilibrium with the gas phase. However, recent studies show that the organic aerosol is not at equilibrium with the gas phase because the organic phases could be semi-solid (very viscous liquid phase). The condensation-evaporation of organic compounds could then be limited by the diffusion in the organic phases due to the high viscosity. An implicit dynamic representation of secondary organic aerosols (SOAs) is available in SOAP with OAs divided into layers, the first layer being at the center of the particle (slowly reaches equilibrium) and the final layer being near the interface with the gas phase (quickly reaches equilibrium). Although this dynamic implicit representation is a simplified approach to model condensation-evaporation with a low number of layers and short CPU (central processing unit) time, it shows good agreements with an explicit representation of condensation-evaporation (no significant differences after a few hours of condensation).

An online-coupled NWP/ACT model with conserved Lagrangian levels

NASA Astrophysics Data System (ADS)

Sørensen, B.; Kaas, E.; Lauritzen, P. H.

2012-04-01

Numerical weather and climate modelling is under constant development. Semi-implicit semi-Lagrangian (SISL) models have proven to be numerically efficient in both short-range weather forecasts and climate models, due to the ability to use long time steps. Chemical/aerosol feedback mechanism are becoming more and more relevant in NWP as well as climate models, since the biogenic and anthropogenic emissions can have a direct effect on the dynamics and radiative properties of the atmosphere. To include chemical feedback mechanisms in the NWP models, on-line coupling is crucial. In 3D semi-Lagrangian schemes with quasi-Lagrangian vertical coordinates the Lagrangian levels are remapped to Eulerian model levels each time step. This remapping introduces an undesirable tendency to smooth sharp gradients and creates unphysical numerical diffusion in the vertical distribution. A semi-Lagrangian advection method is introduced, it combines an inherently mass conserving 2D semi-Lagrangian scheme, with a SISL scheme employing both hybrid vertical coordinates and a fully Lagrangian vertical coordinate. This minimizes the vertical diffusion and thus potentially improves the simulation of the vertical profiles of moisture, clouds, and chemical constituents. Since the Lagrangian levels suffer from traditional Lagrangian limitations caused by the convergence and divergence of the flow, remappings to the Eulerian model levels are generally still required - but this need only be applied after a number of time steps - unless dynamic remapping methods are used. For this several different remapping methods has been implemented. The combined scheme is mass conserving, consistent, and multi-tracer efficient.

An unconditionally stable staggered algorithm for transient finite element analysis of coupled thermoelastic problems

NASA Technical Reports Server (NTRS)

Farhat, C.; Park, K. C.; Dubois-Pelerin, Y.

1991-01-01

An unconditionally stable second order accurate implicit-implicit staggered procedure for the finite element solution of fully coupled thermoelasticity transient problems is proposed. The procedure is stabilized with a semi-algebraic augmentation technique. A comparative cost analysis reveals the superiority of the proposed computational strategy to other conventional staggered procedures. Numerical examples of one and two-dimensional thermomechanical coupled problems demonstrate the accuracy of the proposed numerical solution algorithm.

Seakeeping with the semi-Lagrangian particle finite element method

NASA Astrophysics Data System (ADS)

Nadukandi, Prashanth; Servan-Camas, Borja; Becker, Pablo Agustín; Garcia-Espinosa, Julio

2017-07-01

The application of the semi-Lagrangian particle finite element method (SL-PFEM) for the seakeeping simulation of the wave adaptive modular vehicle under spray generating conditions is presented. The time integration of the Lagrangian advection is done using the explicit integration of the velocity and acceleration along the streamlines (X-IVAS). Despite the suitability of the SL-PFEM for the considered seakeeping application, small time steps were needed in the X-IVAS scheme to control the solution accuracy. A preliminary proposal to overcome this limitation of the X-IVAS scheme for seakeeping simulations is presented.

SUPERCRITICAL FLUID EXTRACTION OF SEMI-VOLATILE ORGANIC COMPOUNDS FROM PARTICLES

EPA Science Inventory

A nitrogen oxide flux chamber was modified to measure the flux of semi-volatile organic compounds (SVOCs). Part of the modification involved the development of methods to extract SVOCs from polyurethane foam (PUF), sand, and soil. Breakthroughs and extraction efficiencies were ...

A multi-dimensional nonlinearly implicit, electromagnetic Vlasov-Darwin particle-in-cell (PIC) algorithm

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacón, Luis; CoCoMans Team

2014-10-01

For decades, the Vlasov-Darwin model has been recognized to be attractive for PIC simulations (to avoid radiative noise issues) in non-radiative electromagnetic regimes. However, the Darwin model results in elliptic field equations that renders explicit time integration unconditionally unstable. Improving on linearly implicit schemes, fully implicit PIC algorithms for both electrostatic and electromagnetic regimes, with exact discrete energy and charge conservation properties, have been recently developed in 1D. This study builds on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the particle-field equations in multiple dimensions. The algorithm conserves energy, charge, and canonical-momentum exactly, even with grid packing. A simple fluid preconditioner allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. We demonstrate the accuracy and efficiency properties of the of the algorithm with various numerical experiments in 2D3V.

A Generalized Eulerian-Lagrangian Analysis, with Application to Liquid Flows with Vapor Bubbles

NASA Technical Reports Server (NTRS)

Dejong, Frederik J.; Meyyappan, Meyya

1993-01-01

Under a NASA MSFC SBIR Phase 2 effort an analysis has been developed for liquid flows with vapor bubbles such as those in liquid rocket engine components. The analysis is based on a combined Eulerian-Lagrangian technique, in which Eulerian conservation equations are solved for the liquid phase, while Lagrangian equations of motion are integrated in computational coordinates for the vapor phase. The novel aspect of the Lagrangian analysis developed under this effort is that it combines features of the so-called particle distribution approach with those of the so-called particle trajectory approach and can, in fact, be considered as a generalization of both of those traditional methods. The result of this generalization is a reduction in CPU time and memory requirements. Particle time step (stability) limitations have been eliminated by semi-implicit integration of the particle equations of motion (and, for certain applications, the particle temperature equation), although practical limitations remain in effect for reasons of accuracy. The analysis has been applied to the simulation of cavitating flow through a single-bladed section of a labyrinth seal. Models for the simulation of bubble formation and growth have been included, as well as models for bubble drag and heat transfer. The results indicate that bubble formation is more or less 'explosive'. for a given flow field, the number density of bubble nucleation sites is very sensitive to the vapor properties and the surface tension. The bubble motion, on the other hand, is much less sensitive to the properties, but is affected strongly by the local pressure gradients in the flow field. In situations where either the material properties or the flow field are not known with sufficient accuracy, parametric studies can be carried out rapidly to assess the effect of the important variables. Future work will include application of the analysis to cavitation in inducer flow fields.

Computational Analysis of Splash Occurring in the Deposition Process in Annular-Mist Flow

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

Xie, Heng; Koshizuka, Seiichi; Oka, Yoshiaki

2004-07-01

The deposition process of a single droplet on the film is numerically simulated by the Moving Particle Semi-implicit (MPS) method to analyze the possibility and effect of splash occurring in the deposition process in BWR condition. The model accounts for the presence of inertial, gravitation, viscous and surface tension and is validated by comparison with experiment results. A simple one-dimensional mixture model is developed to calculate the necessary parameters for the simulation of deposition in BWR condition. The deposition process of a single droplet in BWR condition is simulated. The effect of impact angle of droplet and the velocity ofmore » liquid film are analyzed. A film buffer model is developed to fit the simulation results of critical value for splash. A correlation of critical Weber number for splash in BWR condition is obtained and used to analyze the effect of splash. It is found that the splash play important role in the deposition and re-entrainment process in high quality condition in BWR. The mass fraction of re-entrainment caused by splash in different quality condition is also calculated. (authors)« less

GEMPIC: geometric electromagnetic particle-in-cell methods

NASA Astrophysics Data System (ADS)

Kraus, Michael; Kormann, Katharina; Morrison, Philip J.; Sonnendrücker, Eric

2017-08-01

We present a novel framework for finite element particle-in-cell methods based on the discretization of the underlying Hamiltonian structure of the Vlasov-Maxwell system. We derive a semi-discrete Poisson bracket, which retains the defining properties of a bracket, anti-symmetry and the Jacobi identity, as well as conservation of its Casimir invariants, implying that the semi-discrete system is still a Hamiltonian system. In order to obtain a fully discrete Poisson integrator, the semi-discrete bracket is used in conjunction with Hamiltonian splitting methods for integration in time. Techniques from finite element exterior calculus ensure conservation of the divergence of the magnetic field and Gauss' law as well as stability of the field solver. The resulting methods are gauge invariant, feature exact charge conservation and show excellent long-time energy and momentum behaviour. Due to the generality of our framework, these conservation properties are guaranteed independently of a particular choice of the finite element basis, as long as the corresponding finite element spaces satisfy certain compatibility conditions.

On coupling fluid plasma and kinetic neutral physics models

DOE PAGES

Joseph, I.; Rensink, M. E.; Stotler, D. P.; ...

2017-03-01

The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sampling techniques does not allow for complete convergence in slab geometry. For the benchmark case, residuals decay with particle number and increase with grid size, indicating that theymore » scale in a manner that is similar to the theoretical prediction for nonlinear bias error. Progress is reported on implementation of a fully implicit Jacobian-free Newton–Krylov coupling scheme. The present block Jacobi preconditioning method is still sensitive to time step and methods that better precondition the coupled system are under investigation.« less

Development of a fully implicit particle-in-cell scheme for gyrokinetic electromagnetic turbulence simulation in XGC1

NASA Astrophysics Data System (ADS)

Ku, Seung-Hoe; Hager, R.; Chang, C. S.; Chacon, L.; Chen, G.; EPSI Team

2016-10-01

The cancelation problem has been a long-standing issue for long wavelengths modes in electromagnetic gyrokinetic PIC simulations in toroidal geometry. As an attempt of resolving this issue, we implemented a fully implicit time integration scheme in the full-f, gyrokinetic PIC code XGC1. The new scheme - based on the implicit Vlasov-Darwin PIC algorithm by G. Chen and L. Chacon - can potentially resolve cancelation problem. The time advance for the field and the particle equations is space-time-centered, with particle sub-cycling. The resulting system of equations is solved by a Picard iteration solver with fixed-point accelerator. The algorithm is implemented in the parallel velocity formalism instead of the canonical parallel momentum formalism. XGC1 specializes in simulating the tokamak edge plasma with magnetic separatrix geometry. A fully implicit scheme could be a way to accurate and efficient gyrokinetic simulations. We will test if this numerical scheme overcomes the cancelation problem, and reproduces the dispersion relation of Alfven waves and tearing modes in cylindrical geometry. Funded by US DOE FES and ASCR, and computing resources provided by OLCF through ALCC.

From Waves to Particle Tracks and Quantum Probabilities

NASA Astrophysics Data System (ADS)

Falkenburg, Brigitte

Here, the measurement methods for identifying massive charged particles are investigated. They have been used from early cosmic ray studies up to the present day. Laws such as the classical Lorentz force and Einstein's relativistic kinematics were established before the rise of quantum mechanics. Later, it became crucial to measure the energy loss of charged particles in matter. In 1930, Bethe developed a semi-classical model based on the quantum mechanics of scattering. In the early 1930s, he and others calculated the passage of charged particles through matter including pair creation and bremsstrahlung. Due to missing trust in quantum electrodynamics, however, only semi-empirical methods were employed in order to estimate the mass and charge from the features of particle tracks. In 1932, Anderson inserted a lead plate into the cloud chamber in order to determine the flight direction and charge of the `positive electron'. In the 1940s, nuclear emulsions helped to resolve puzzles about particle identification and quantum electrodynamics. Later, the measurement theory was extended in a cumulative process by adding conservation laws for dynamic properties, probabilistic quantum formulas for resonances, scattering cross sections, etc. The measurement method was taken over from cosmic ray studies to the era of particle accelerators, and finally taken back from there to astroparticle physics. The measurement methods remained the same, but in the transition from particle to astroparticle physics the focus of interest shifted. Indeed, the experimental methods of both fields explore the grounds of `new physics' in complementary ways.

Surfing the money tides: understanding the foreign exchange market through metaphors.

PubMed

Oberlechner, Thomas; Slunecko, Thomas; Kronberger, Nicole

2004-03-01

This study describes metaphorical conceptualizations of the foreign exchange market held by market participants and examines how these metaphors socially construct the financial market. Findings are based on 55 semi-structured interviews with senior foreign exchange experts at banks and at financial news providers in Europe. We analysed interview transcripts by metaphor analysis, a method based on cognitive linguistics. Results indicate that market participants' understanding of financial markets revolves around seven metaphors, namely the market as a bazaar, as a machine, as gambling, as sports, as war, as a living being and as an ocean. Each of these metaphors highlights and conceals certain aspects of the foreign exchange market and entails a different set of implications on crucial market dimensions, such as the role of other market participants and market predictability. A correspondence analysis supports our assumption that metaphorical thinking corresponds with implicit assumptions about market predictability. A comparison of deliberately generated and implicitly used metaphors reveals notable differences. In particular, implicit metaphors are predominantly organic rather than mechanical. In contrast to academic models, interactive and organic metaphors, and not the machine metaphor, dominate the market accounts of participants.

The ALE Discontinuous Galerkin Method for the Simulatio of Air Flow Through Pulsating Human Vocal Folds

NASA Astrophysics Data System (ADS)

Feistauer, Miloslav; Kučera, Václav; Prokopová, Jaroslav; Horáček, Jaromír

2010-09-01

The aim of this work is the simulation of viscous compressible flows in human vocal folds during phonation. The computational domain is a bounded subset of IR2, whose geometry mimics the shape of the human larynx. During phonation, parts of the solid impermeable walls are moving in a prescribed manner, thus simulating the opening and closing of the vocal chords. As the governing equations we take the compressible Navier-Stokes equations in ALE form. Space semidiscretization is carried out by the discontinuous Galerkin method combined with a linearized semi-implicit approach. Numerical experiments are performed with the resulting scheme.

magnum.fe: A micromagnetic finite-element simulation code based on FEniCS

NASA Astrophysics Data System (ADS)

Abert, Claas; Exl, Lukas; Bruckner, Florian; Drews, André; Suess, Dieter

2013-11-01

We have developed a finite-element micromagnetic simulation code based on the FEniCS package called magnum.fe. Here we describe the numerical methods that are applied as well as their implementation with FEniCS. We apply a transformation method for the solution of the demagnetization-field problem. A semi-implicit weak formulation is used for the integration of the Landau-Lifshitz-Gilbert equation. Numerical experiments show the validity of simulation results. magnum.fe is open source and well documented. The broad feature range of the FEniCS package makes magnum.fe a good choice for the implementation of novel micromagnetic finite-element algorithms.

A fully-implicit Particle-In-Cell Monte Carlo Collision code for the simulation of inductively coupled plasmas

NASA Astrophysics Data System (ADS)

Mattei, S.; Nishida, K.; Onai, M.; Lettry, J.; Tran, M. Q.; Hatayama, A.

2017-12-01

We present a fully-implicit electromagnetic Particle-In-Cell Monte Carlo collision code, called NINJA, written for the simulation of inductively coupled plasmas. NINJA employs a kinetic enslaved Jacobian-Free Newton Krylov method to solve self-consistently the interaction between the electromagnetic field generated by the radio-frequency coil and the plasma response. The simulated plasma includes a kinetic description of charged and neutral species as well as the collision processes between them. The algorithm allows simulations with cell sizes much larger than the Debye length and time steps in excess of the Courant-Friedrichs-Lewy condition whilst preserving the conservation of the total energy. The code is applied to the simulation of the plasma discharge of the Linac4 H- ion source at CERN. Simulation results of plasma density, temperature and EEDF are discussed and compared with optical emission spectroscopy measurements. A systematic study of the energy conservation as a function of the numerical parameters is presented.

A semi-Lagrangian transport method for kinetic problems with application to dense-to-dilute polydisperse reacting spray flows

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

Doisneau, François, E-mail: fdoisne@sandia.gov; Arienti, Marco, E-mail: marient@sandia.gov; Oefelein, Joseph C., E-mail: oefelei@sandia.gov

For sprays, as described by a kinetic disperse phase model strongly coupled to the Navier–Stokes equations, the resolution strategy is constrained by accuracy objectives, robustness needs, and the computing architecture. In order to leverage the good properties of the Eulerian formalism, we introduce a deterministic particle-based numerical method to solve transport in physical space, which is simple to adapt to the many types of closures and moment systems. The method is inspired by the semi-Lagrangian schemes, developed for Gas Dynamics. We show how semi-Lagrangian formulations are relevant for a disperse phase far from equilibrium and where the particle–particle coupling barelymore » influences the transport; i.e., when particle pressure is negligible. The particle behavior is indeed close to free streaming. The new method uses the assumption of parcel transport and avoids to compute fluxes and their limiters, which makes it robust. It is a deterministic resolution method so that it does not require efforts on statistical convergence, noise control, or post-processing. All couplings are done among data under the form of Eulerian fields, which allows one to use efficient algorithms and to anticipate the computational load. This makes the method both accurate and efficient in the context of parallel computing. After a complete verification of the new transport method on various academic test cases, we demonstrate the overall strategy's ability to solve a strongly-coupled liquid jet with fine spatial resolution and we apply it to the case of high-fidelity Large Eddy Simulation of a dense spray flow. A fuel spray is simulated after atomization at Diesel engine combustion chamber conditions. The large, parallel, strongly coupled computation proves the efficiency of the method for dense, polydisperse, reacting spray flows.« less

A Comprehensive Comparison of Relativistic Particle Integrators

NASA Astrophysics Data System (ADS)

Ripperda, B.; Bacchini, F.; Teunissen, J.; Xia, C.; Porth, O.; Sironi, L.; Lapenta, G.; Keppens, R.

2018-03-01

We compare relativistic particle integrators commonly used in plasma physics, showing several test cases relevant for astrophysics. Three explicit particle pushers are considered, namely, the Boris, Vay, and Higuera–Cary schemes. We also present a new relativistic fully implicit particle integrator that is energy conserving. Furthermore, a method based on the relativistic guiding center approximation is included. The algorithms are described such that they can be readily implemented in magnetohydrodynamics codes or Particle-in-Cell codes. Our comparison focuses on the strengths and key features of the particle integrators. We test the conservation of invariants of motion and the accuracy of particle drift dynamics in highly relativistic, mildly relativistic, and non-relativistic settings. The methods are compared in idealized test cases, i.e., without considering feedback onto the electrodynamic fields, collisions, pair creation, or radiation. The test cases include uniform electric and magnetic fields, {\\boldsymbol{E}}× {\\boldsymbol{B}} fields, force-free fields, and setups relevant for high-energy astrophysics, e.g., a magnetic mirror, a magnetic dipole, and a magnetic null. These tests have direct relevance for particle acceleration in shocks and in magnetic reconnection.

On geometric factors for neutral particle analyzers

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

Stagner, L.; Heidbrink, W. W.

2014-11-15

Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, “Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry,” J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, “Geometric factor and directional response of single and multi-element particle telescopes,” Nucl. Instrum. Methods 95(1), 5–11 (1971)]more » for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.« less

A charge- and energy-conserving implicit, electrostatic particle-in-cell algorithm on mapped computational meshes

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.; Barnes, D. C.

2013-01-01

We describe the extension of the recent charge- and energy-conserving one-dimensional electrostatic particle-in-cell algorithm in Ref. [G. Chen, L. Chacón, D.C. Barnes, An energy- and charge-conserving, implicit electrostatic particle-in-cell algorithm, Journal of Computational Physics 230 (2011) 7018-7036] to mapped (body-fitted) computational meshes. The approach maintains exact charge and energy conservation properties. Key to the algorithm is a hybrid push, where particle positions are updated in logical space, while velocities are updated in physical space. The effectiveness of the approach is demonstrated with a challenging numerical test case, the ion acoustic shock wave. The generalization of the approach to multiple dimensions is outlined.

Multigrid Solution of the Navier-Stokes Equations at Low Speeds with Large Temperature Variations

NASA Technical Reports Server (NTRS)

Sockol, Peter M.

2002-01-01

Multigrid methods for the Navier-Stokes equations at low speeds and large temperature variations are investigated. The compressible equations with time-derivative preconditioning and preconditioned flux-difference splitting of the inviscid terms are used. Three implicit smoothers have been incorporated into a common multigrid procedure. Both full coarsening and semi-coarsening with directional fine-grid defect correction have been studied. The resulting methods have been tested on four 2D laminar problems over a range of Reynolds numbers on both uniform and highly stretched grids. Two of the three methods show efficient and robust performance over the entire range of conditions. In addition none of the methods have any difficulty with the large temperature variations.

Accuracy of Time Integration Approaches for Stiff Magnetohydrodynamics Problems

NASA Astrophysics Data System (ADS)

Knoll, D. A.; Chacon, L.

2003-10-01

The simulation of complex physical processes with multiple time scales presents a continuing challenge to the computational plasma physisist due to the co-existence of fast and slow time scales. Within computational plasma physics, practitioners have developed and used linearized methods, semi-implicit methods, and time splitting in an attempt to tackle such problems. All of these methods are understood to generate numerical error. We are currently developing algorithms which remove such error for MHD problems [1,2]. These methods do not rely on linearization or time splitting. We are also attempting to analyze the errors introduced by existing ``implicit'' methods using modified equation analysis (MEA) [3]. In this presentation we will briefly cover the major findings in [3]. We will then extend this work further into MHD. This analysis will be augmented with numerical experiments with the hope of gaining insight, particularly into how these errors accumulate over many time steps. [1] L. Chacon,. D.A. Knoll, J.M. Finn, J. Comput. Phys., vol. 178, pp. 15-36 (2002) [2] L. Chacon and D.A. Knoll, J. Comput. Phys., vol. 188, pp. 573-592 (2003) [3] D.A. Knoll , L. Chacon, L.G. Margolin, V.A. Mousseau, J. Comput. Phys., vol. 185, pp. 583-611 (2003)

A semi-implicit finite element method for viscous lipid membranes

NASA Astrophysics Data System (ADS)

Rodrigues, Diego S.; Ausas, Roberto F.; Mut, Fernando; Buscaglia, Gustavo C.

2015-10-01

A finite element formulation to approximate the behavior of lipid membranes is proposed. The mathematical model incorporates tangential viscous stresses and bending elastic forces, together with the inextensibility constraint and the enclosed volume constraint. The membrane is discretized by a surface mesh made up of planar triangles, over which a mixed formulation (velocity-curvature) is built based on the viscous bilinear form (Boussinesq-Scriven operator) and the Laplace-Beltrami identity relating position and curvature. A semi-implicit approach is then used to discretize in time, with piecewise linear interpolants for all variables. Two stabilization terms are needed: The first one stabilizes the inextensibility constraint by a pressure-gradient-projection scheme (Codina and Blasco (1997) [33]), the second couples curvature and velocity to improve temporal stability, as proposed by Bänsch (2001) [36]. The volume constraint is handled by a Lagrange multiplier (which turns out to be the internal pressure), and an analogous strategy is used to filter out rigid-body motions. The nodal positions are updated in a Lagrangian manner according to the velocity solution at each time step. An automatic remeshing strategy maintains suitable refinement and mesh quality throughout the simulation. Numerical experiments show the convergent and robust behavior of the proposed method. Stability limits are obtained from numerous relaxation tests, and convergence with mesh refinement is confirmed both in the relaxation transient and in the final equilibrium shape. Virtual tweezing experiments are also reported, computing the dependence of the deformed membrane shape with the tweezing velocity (a purely dynamical effect). For sufficiently high velocities, a tether develops which shows good agreement, both in its final radius and in its transient behavior, with available analytical solutions. Finally, simulation results of a membrane subject to the simultaneous action of six tweezers illustrate the robustness of the method.

Influence wt.% of SiC and borax on the mechanical properties of AlSi-Mg-TiB-SiC composite by the method of semi solid stir casting

NASA Astrophysics Data System (ADS)

Bhiftime, E. I.; Guterres, Natalino F. D. S.; Haryono, M. B.; Sulardjaka, Nugroho, Sri

2017-04-01

SiC particle reinforced metal matrix composites (MMCs) with solid semi stir casting method is becoming popular in recent application (automotive, aerospace). Stirring the semi solid condition is proven to enhance the bond between matrix and reinforcement. The purpose of this study is to investigate the effect of the SiC wt.% and the addition of borax on mechanical properties of composite AlSi-Mg-TiB-SiC and AlSi-Mg-TiB-SiC/Borax. Specimens was tested focusing on the density, porosity, tensile test, impact test microstructure and SEM. AlSi is used as a matrix reinforced by SiC with percentage variations (10, 15, 20 wt.%). Giving wt.% Borax which is the ratio of 1: 4 between wt.% SiC. The addition of 1.5% of TiB gives grain refinement. The use of semi-solid stir casting method is able to increase the absorption of SiC particles into a matrix AlSi evenly. The improved composite presented here can be used as a guideline to make a new composite.

Adaptive Numerical Algorithms in Space Weather Modeling

NASA Technical Reports Server (NTRS)

Toth, Gabor; vanderHolst, Bart; Sokolov, Igor V.; DeZeeuw, Darren; Gombosi, Tamas I.; Fang, Fang; Manchester, Ward B.; Meng, Xing; Nakib, Dalal; Powell, Kenneth G.;

Multilayer shallow water models with locally variable number of layers and semi-implicit time discretization

NASA Astrophysics Data System (ADS)

Bonaventura, Luca; Fernández-Nieto, Enrique D.; Garres-Díaz, José; Narbona-Reina, Gladys

2018-07-01

We propose an extension of the discretization approaches for multilayer shallow water models, aimed at making them more flexible and efficient for realistic applications to coastal flows. A novel discretization approach is proposed, in which the number of vertical layers and their distribution are allowed to change in different regions of the computational domain. Furthermore, semi-implicit schemes are employed for the time discretization, leading to a significant efficiency improvement for subcritical regimes. We show that, in the typical regimes in which the application of multilayer shallow water models is justified, the resulting discretization does not introduce any major spurious feature and allows again to reduce substantially the computational cost in areas with complex bathymetry. As an example of the potential of the proposed technique, an application to a sediment transport problem is presented, showing a remarkable improvement with respect to standard discretization approaches.

An unstructured grid, three-dimensional model based on the shallow water equations

USGS Publications Warehouse

Casulli, V.; Walters, R.A.

2000-01-01

A semi-implicit finite difference model based on the three-dimensional shallow water equations is modified to use unstructured grids. There are obvious advantages in using unstructured grids in problems with a complicated geometry. In this development, the concept of unstructured orthogonal grids is introduced and applied to this model. The governing differential equations are discretized by means of a semi-implicit algorithm that is robust, stable and very efficient. The resulting model is relatively simple, conserves mass, can fit complicated boundaries and yet is sufficiently flexible to permit local mesh refinements in areas of interest. Moreover, the simulation of the flooding and drying is included in a natural and straightforward manner. These features are illustrated by a test case for studies of convergence rates and by examples of flooding on a river plain and flow in a shallow estuary. Copyright ?? 2000 John Wiley & Sons, Ltd.

Measurements of particulate semi-volatile material

NASA Astrophysics Data System (ADS)

Pang, Yanbo

2000-10-01

A new innovative sampling system, PC-BOSS, was developed by the combination of particle concentrator and BOSS denuder techniques in response to the new EPA PM2.5 standard and to meet top research priorities for particulate matter that were identified by the National Research Council. The PC-BOSS (P_article C_oncentrator- B_righam Young University O_rganic S_ampling S_ystem) can accurately determine not only PM2.5 stable mass and species such as sulfate, but also particulate semi- volatile material. Several field comparison studies of the PC-BOSS with the EPA PM2.5 reference method and state-of-the-art fine particle measurement methods confirm the capability of the PC-BOSS to accurately determine particulate semi-volatile material, especially organic compounds. This is the first routine sampling system for the determination of both particulate semi-volatile inorganic and organic material. Two other denuder system samplers for the determination of PM2.5 total mass including semi-volatile material were also developed for PM2.5 research and exposure monitoring. Results of studies around the United States indicate that the EPA PM2.5 FRM (Federal Reference Method) under- measured PM2.5 mass by 20-30% compared to PC-BOSS results due to the loss of particulate nitrate and semi-volatile organic compounds during sampling. Organic material is mostly responsible for this under- measurement by the FRM. Using our new sampling system in epidemiological and exposure studies will be essential to providing answers to some top research priorities for particulate matter and promote a better PM2.5 standard for the protection of human health because some fractions of particulate semi-volatile organic compounds are toxic and are possibly responsible for health effects associated with exposure to particulate matter. The atmospheric chemistry of organic aerosols in the troposphere and stratosphere is still largely unknown because of the lack of detailed organic aerosol information. The importance of organic aerosols might also be underestimated because current data on organic aerosols in the troposphere and stratosphere were mostly obtained by traditional methods, like the FRM method. Using PC-BOSS to study organic aerosols in the troposphere and stratosphere will provide not only more but also more accurate information about organic aerosols, and significantly improve the understanding of the role of aerosols in global warming, ozone depletion, and atmospheric heterogenous chemistry.

A compatible high-order meshless method for the Stokes equations with applications to suspension flows

NASA Astrophysics Data System (ADS)

Trask, Nathaniel; Maxey, Martin; Hu, Xiaozhe

2018-02-01

A stable numerical solution of the steady Stokes problem requires compatibility between the choice of velocity and pressure approximation that has traditionally proven problematic for meshless methods. In this work, we present a discretization that couples a staggered scheme for pressure approximation with a divergence-free velocity reconstruction to obtain an adaptive, high-order, finite difference-like discretization that can be efficiently solved with conventional algebraic multigrid techniques. We use analytic benchmarks to demonstrate equal-order convergence for both velocity and pressure when solving problems with curvilinear geometries. In order to study problems in dense suspensions, we couple the solution for the flow to the equations of motion for freely suspended particles in an implicit monolithic scheme. The combination of high-order accuracy with fully-implicit schemes allows the accurate resolution of stiff lubrication forces directly from the solution of the Stokes problem without the need to introduce sub-grid lubrication models.

Stability analysis of implicit time discretizations for the Compton-scattering Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Densmore, Jeffery D.; Warsa, James S.; Lowrie, Robert B.; Morel, Jim E.

2009-09-01

The Fokker-Planck equation is a widely used approximation for modeling the Compton scattering of photons in high energy density applications. In this paper, we perform a stability analysis of three implicit time discretizations for the Compton-Scattering Fokker-Planck equation. Specifically, we examine (i) a Semi-Implicit (SI) scheme that employs backward-Euler differencing but evaluates temperature-dependent coefficients at their beginning-of-time-step values, (ii) a Fully Implicit (FI) discretization that instead evaluates temperature-dependent coefficients at their end-of-time-step values, and (iii) a Linearized Implicit (LI) scheme, which is developed by linearizing the temperature dependence of the FI discretization within each time step. Our stability analysis shows that the FI and LI schemes are unconditionally stable and cannot generate oscillatory solutions regardless of time-step size, whereas the SI discretization can suffer from instabilities and nonphysical oscillations for sufficiently large time steps. With the results of this analysis, we present time-step limits for the SI scheme that prevent undesirable behavior. We test the validity of our stability analysis and time-step limits with a set of numerical examples.

A Conservative Discontinuous Galerkin Semi-Implicit Formulation for the Navier-Stokes Equations in Nonhydrostatic Mesoscale Modeling

DTIC Science & Technology

2009-01-01

is usually implemented as an implicit correction to an explicit predictor substep [43]. In our case, this leads to the following algorithm : (i...ref., 50m ç C 10-6 10-5 10-4 0.01 0.1 1 s 0.01 0.1 1 m10 100 1000 Fig. 6.7. Self -convergence experiment for the density current test as in [51], Figure...by SIAM. Unauthorized reproduction of this article is prohibited. SIAM J. SCI. COMPUT. c © 2009 Society for Industrial and Applied Mathematics Vol

Simulation of High-Beta Plasma Confinement

NASA Astrophysics Data System (ADS)

Font, Gabriel; Welch, Dale; Mitchell, Robert; McGuire, Thomas

2017-10-01

The Lockheed Martin Compact Fusion Reactor concept utilizes magnetic cusps to confine the plasma. In order to minimize losses through the axial and ring cusps, the plasma is pushed to a high-beta state. Simulations were made of the plasma and magnetic field system in an effort to quantify particle confinement times and plasma behavior characteristics. Computations are carried out with LSP using implicit PIC methods. Simulations of different sub-scale geometries at high-Beta fusion conditions are used to determine particle loss scaling with reactor size, plasma conditions, and gyro radii. ©2017 Lockheed Martin Corporation. All Rights Reserved.

Multi-dimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacon, Luis

2015-11-01

We discuss a new, conservative, fully implicit 2D3V Vlasov-Darwin particle-in-cell algorithm in curvilinear geometry for non-radiative, electromagnetic kinetic plasma simulations. Unlike standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. Here, we extend these algorithms to curvilinear geometry. The algorithm retains its exact conservation properties in curvilinear grids. The nonlinear iteration is effectively accelerated with a fluid preconditioner for weakly to modestly magnetized plasmas, which allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D (slow shock) and 2D (island coalescense).

RETRANO3 benchmarks for Beaver Valley plant transients and FSAR analyses

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

Beaumont, E.T.; Feltus, M.A.

1993-01-01

Any best-estimate code (e.g., RETRANO3) results must be validated against plant data and final safety analysis report (FSAR) predictions. The need for two independent means of benchmarking is necessary to ensure that the results were not biased toward a particular data set and to have a certain degree of accuracy. The code results need to be compared with previous results and show improvements over previous code results. Ideally, the two best means of benchmarking a thermal hydraulics code are comparing results from previous versions of the same code along with actual plant data. This paper describes RETRAN03 benchmarks against RETRAN02more » results, actual plant data, and FSAR predictions. RETRAN03, the Electric Power Research Institute's latest version of the RETRAN thermal-hydraulic analysis codes, offers several upgrades over its predecessor, RETRAN02 Mod5. RETRAN03 can use either implicit or semi-implicit numerics, whereas RETRAN02 Mod5 uses only semi-implicit numerics. Another major upgrade deals with slip model options. RETRAN03 added several new models, including a five-equation model for more accurate modeling of two-phase flow. RETPAN02 Mod5 should give similar but slightly more conservative results than RETRAN03 when executed with RETRAN02 Mod5 options.« less

A Parallel, Multi-Scale Watershed-Hydrologic-Inundation Model with Adaptively Switching Mesh for Capturing Flooding and Lake Dynamics

NASA Astrophysics Data System (ADS)

Ji, X.; Shen, C.

2017-12-01

Flood inundation presents substantial societal hazards and also changes biogeochemistry for systems like the Amazon. It is often expensive to simulate high-resolution flood inundation and propagation in a long-term watershed-scale model. Due to the Courant-Friedrichs-Lewy (CFL) restriction, high resolution and large local flow velocity both demand prohibitively small time steps even for parallel codes. Here we develop a parallel surface-subsurface process-based model enhanced by multi-resolution meshes that are adaptively switched on or off. The high-resolution overland flow meshes are enabled only when the flood wave invades to floodplains. This model applies semi-implicit, semi-Lagrangian (SISL) scheme in solving dynamic wave equations, and with the assistant of the multi-mesh method, it also adaptively chooses the dynamic wave equation only in the area of deep inundation. Therefore, the model achieves a balance between accuracy and computational cost.

What Is Light?. Students' Reflections on the Wave-Particle Duality of Light and the Nature of Physics

NASA Astrophysics Data System (ADS)

Henriksen, Ellen Karoline; Angell, Carl; Vistnes, Arnt Inge; Bungum, Berit

2018-03-01

Quantum physics describes light as having both particle and wave properties; however, there is no consensus about how to interpret this duality on an ontological level. This article explores how pre-university physics students, while working with learning material focusing on historical-philosophical aspects of quantum physics, interpreted the wave-particle duality of light and which views they expressed on the nature of physics. A thematic analysis was performed on 133 written responses about the nature of light, given in the beginning of the teaching sequence, and 55 audio-recorded small-group discussions addressing the wave-particle duality, given later in the sequence. Most students initially expressed a wave and particle view of light, but some of these gave an "uncritical duality description", accepting without question the two ontologically different descriptions of light. In the small-group discussions, students expressed more nuanced views. Many tried to reconcile the two descriptions using semi-classical reasoning; others entered into philosophical discussions about the status of the current scientific description of light and expected science to come up with a better model. Some found the wave description of light particularly challenging and lacked a conception of "what is waving". Many seemed to implicitly take a realist view on the description of physical phenomena, contrary with the Copenhagen interpretation which is prevalent in textbooks. Results are discussed in light of different interpretations of quantum physics, and we conclude by arguing for a historical-philosophical perspective as an entry point for upper secondary physics students to explore the development and interpretation of quantum physical concepts.

State-of-charge estimation in lithium-ion batteries: A particle filter approach

NASA Astrophysics Data System (ADS)

Tulsyan, Aditya; Tsai, Yiting; Gopaluni, R. Bhushan; Braatz, Richard D.

2016-11-01

The dynamics of lithium-ion batteries are complex and are often approximated by models consisting of partial differential equations (PDEs) relating the internal ionic concentrations and potentials. The Pseudo two-dimensional model (P2D) is one model that performs sufficiently accurately under various operating conditions and battery chemistries. Despite its widespread use for prediction, this model is too complex for standard estimation and control applications. This article presents an original algorithm for state-of-charge estimation using the P2D model. Partial differential equations are discretized using implicit stable algorithms and reformulated into a nonlinear state-space model. This discrete, high-dimensional model (consisting of tens to hundreds of states) contains implicit, nonlinear algebraic equations. The uncertainty in the model is characterized by additive Gaussian noise. By exploiting the special structure of the pseudo two-dimensional model, a novel particle filter algorithm that sweeps in time and spatial coordinates independently is developed. This algorithm circumvents the degeneracy problems associated with high-dimensional state estimation and avoids the repetitive solution of implicit equations by defining a 'tether' particle. The approach is illustrated through extensive simulations.

Application of viscous-inviscid interaction methods to transonic turbulent flows

NASA Technical Reports Server (NTRS)

Lee, D.; Pletcher, R. H.

1986-01-01

Two different viscous-inviscid interaction schemes were developed for the analysis of steady, turbulent, transonic, separated flows over axisymmetric bodies. The viscous and inviscid solutions are coupled through the displacement concept using a transpiration velocity approach. In the semi-inverse interaction scheme, the viscous and inviscid equations are solved in an explicitly separate manner and the displacement thickness distribution is iteratively updated by a simple coupling algorithm. In the simultaneous interaction method, local solutions of viscous and inviscid equations are treated simultaneously, and the displacement thickness is treated as an unknown and is obtained as a part of the solution through a global iteration procedure. The inviscid flow region is described by a direct finite-difference solution of a velocity potential equation in conservative form. The potential equation is solved on a numerically generated mesh by an approximate factorization (AF2) scheme in the semi-inverse interaction method and by a successive line overrelaxation (SLOR) scheme in the simultaneous interaction method. The boundary-layer equations are used for the viscous flow region. The continuity and momentum equations are solved inversely in a coupled manner using a fully implicit finite-difference scheme.

Fitted Fourier-pseudospectral methods for solving a delayed reaction-diffusion partial differential equation in biology

NASA Astrophysics Data System (ADS)

Adam, A. M. A.; Bashier, E. B. M.; Hashim, M. H. A.; Patidar, K. C.

2017-07-01

In this work, we design and analyze a fitted numerical method to solve a reaction-diffusion model with time delay, namely, a delayed version of a population model which is an extension of the logistic growth (LG) equation for a food-limited population proposed by Smith [F.E. Smith, Population dynamics in Daphnia magna and a new model for population growth, Ecology 44 (1963) 651-663]. Seeing that the analytical solution (in closed form) is hard to obtain, we seek for a robust numerical method. The method consists of a Fourier-pseudospectral semi-discretization in space and a fitted operator implicit-explicit scheme in temporal direction. The proposed method is analyzed for convergence and we found that it is unconditionally stable. Illustrative numerical results will be presented at the conference.

Application of adaptive gridding to magnetohydrodynamic flows

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

Schnack, D.D.; Lotatti, I.; Satyanarayana, P.

1996-12-31

The numerical simulation of the primitive, three-dimensional, time-dependent, resistive MHD equations on an unstructured, adaptive poloidal mesh using the TRIM code has been reported previously. The toroidal coordinate is approximated pseudo-spectrally with finite Fourier series and Fast-Fourier Transforms. The finite-volume algorithm preserves the magnetic field as solenoidal to round-off error, and also conserves mass, energy, and magnetic flux exactly. A semi-implicit method is used to allow for large time steps on the unstructured mesh. This is important for tokamak calculations where the relevant time scale is determined by the poloidal Alfven time. This also allows the viscosity to be treatedmore » implicitly. A conjugate-gradient method with pre-conditioning is used for matrix inversion. Applications to the growth and saturation of ideal instabilities in several toroidal fusion systems has been demonstrated. Recently we have concentrated on the details of the mesh adaption algorithm used in TRIM. We present several two-dimensional results relating to the use of grid adaptivity to track the evolution of hydrodynamic and MHD structures. Examples of plasma guns, opening switches, and supersonic flow over a magnetized sphere are presented. Issues relating to mesh adaption criteria are discussed.« less

The influence of explicit versus implicit instructional approaches during a technology-based curriculum on students' understanding of nature of science (NOS)

NASA Astrophysics Data System (ADS)

Al-Saidi, Ahmed Mohammad

The purpose of this study was to examine the effect of an explicit versus an implicit instructional approach during technology-based curriculum on students' understanding of the nature of science (NOS) within an introductory biology course. The study emphasized the inferential and tentative nature of science. The intervention or explicit group was involved in inquiry activities followed by discussions that were directly geared towards the target aspects of NOS. The implicit group was engaged in the same activities but received instruction devoid of direct reference to the NOS aspects. Students in both groups spent identical amount of time on task. Selected items of the Views of Nature of Science Questionnaire (VNOS) together with semi-structured interviews were used to evaluate students' NOS conceptions before and at the end of the intervention, which lasted two weeks. A quantitative analysis using chi-square of students' pre-intervention NOS views as provided by the VNOS questionnaires revealed that there was not a statistically significant difference between implicit and explicit groups in both targeted NOS aspects, with (p = 0.18) and (p = 0.34) for inferential and tentative NOS, respectively. However the same analysis indicated statistical significance difference for post-intervention between implicit and explicit groups, yielding (p < 0.02) and (p < 0.002) for both inferential and tentative NOS, respectively. A qualitative analysis of students' pre and post-intervention views of the target aspects of NOS as well as semi-structured interviews for both groups was also conducted. Before intervention, the number of informed NOS responses in both groups was not considerably different. However, analysis of post-intervention NOS views indicated that more students in the explicit group demonstrated informed views of the NOS aspects than in the implicit group. Therefore, the analysis of the data indicated that, in this particular study, engaging students in inquiry-based activities followed by explicit discussion that is geared toward NOS aspects was more effective than merely involving them in implicit, inquiry-based instruction. The imperative finding of the present study provides evidence that teaching the NOS could be achieved through short-intensive discussion and does not necessarily require separate and independent courses.

International Conference on Numerical Ship Hydrodynamics (6th), Held in Iowa City, Iowa on 2-5 August 1993,

DTIC Science & Technology

1994-01-01

length scales mensional hydrofoil and tip vortex flow around a F circulation three dimensional hydrofoil. The simulated mean v molecular viscosity flow...Unstructured Grid for Free Surface Flow Simulations , by T. Hino, L. Martinelli, and A. Jameson 173 "A Semi-Implicit Semi-Lagrangian Finite Element Model...Haussling Solid-Fluid Juncture Boundary Layer and Wake with Waves, by J.E. Choi and F. Stern 215 Direct Numerical and Large-Eddy Simulations of Turbulent

Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

2017-10-01

UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

A physics-motivated Centroidal Voronoi Particle domain decomposition method

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

Fu, Lin, E-mail: lin.fu@tum.de; Hu, Xiangyu Y., E-mail: xiangyu.hu@tum.de; Adams, Nikolaus A., E-mail: nikolaus.adams@tum.de

2017-04-15

In this paper, we propose a novel domain decomposition method for large-scale simulations in continuum mechanics by merging the concepts of Centroidal Voronoi Tessellation (CVT) and Voronoi Particle dynamics (VP). The CVT is introduced to achieve a high-level compactness of the partitioning subdomains by the Lloyd algorithm which monotonically decreases the CVT energy. The number of computational elements between neighboring partitioning subdomains, which scales the communication effort for parallel simulations, is optimized implicitly as the generated partitioning subdomains are convex and simply connected with small aspect-ratios. Moreover, Voronoi Particle dynamics employing physical analogy with a tailored equation of state ismore » developed, which relaxes the particle system towards the target partition with good load balance. Since the equilibrium is computed by an iterative approach, the partitioning subdomains exhibit locality and the incremental property. Numerical experiments reveal that the proposed Centroidal Voronoi Particle (CVP) based algorithm produces high-quality partitioning with high efficiency, independently of computational-element types. Thus it can be used for a wide range of applications in computational science and engineering.« less

A physics-motivated Centroidal Voronoi Particle domain decomposition method

NASA Astrophysics Data System (ADS)

Fu, Lin; Hu, Xiangyu Y.; Adams, Nikolaus A.

2017-04-01

In this paper, we propose a novel domain decomposition method for large-scale simulations in continuum mechanics by merging the concepts of Centroidal Voronoi Tessellation (CVT) and Voronoi Particle dynamics (VP). The CVT is introduced to achieve a high-level compactness of the partitioning subdomains by the Lloyd algorithm which monotonically decreases the CVT energy. The number of computational elements between neighboring partitioning subdomains, which scales the communication effort for parallel simulations, is optimized implicitly as the generated partitioning subdomains are convex and simply connected with small aspect-ratios. Moreover, Voronoi Particle dynamics employing physical analogy with a tailored equation of state is developed, which relaxes the particle system towards the target partition with good load balance. Since the equilibrium is computed by an iterative approach, the partitioning subdomains exhibit locality and the incremental property. Numerical experiments reveal that the proposed Centroidal Voronoi Particle (CVP) based algorithm produces high-quality partitioning with high efficiency, independently of computational-element types. Thus it can be used for a wide range of applications in computational science and engineering.

Influenza Virus Reassortment Is Enhanced by Semi-infectious Particles but Can Be Suppressed by Defective Interfering Particles

PubMed Central

Tao, Hui; Steel, John; Lowen, Anice C.

2015-01-01

A high particle to infectivity ratio is a feature common to many RNA viruses, with ~90–99% of particles unable to initiate a productive infection under low multiplicity conditions. A recent publication by Brooke et al. revealed that, for influenza A virus (IAV), a proportion of these seemingly non-infectious particles are in fact semi-infectious. Semi-infectious (SI) particles deliver an incomplete set of viral genes to the cell, and therefore cannot support a full cycle of replication unless complemented through co-infection. In addition to SI particles, IAV populations often contain defective-interfering (DI) particles, which actively interfere with production of infectious progeny. With the aim of understanding the significance to viral evolution of these incomplete particles, we tested the hypothesis that SI and DI particles promote diversification through reassortment. Our approach combined computational simulations with experimental determination of infection, co-infection and reassortment levels following co-inoculation of cultured cells with two distinct influenza A/Panama/2007/99 (H3N2)-based viruses. Computational results predicted enhanced reassortment at a given % infection or multiplicity of infection with increasing semi-infectious particle content. Comparison of experimental data to the model indicated that the likelihood that a given segment is missing varies among the segments and that most particles fail to deliver ≥1 segment. To verify the prediction that SI particles augment reassortment, we performed co-infections using viruses exposed to low dose UV. As expected, the introduction of semi-infectious particles with UV-induced lesions enhanced reassortment. In contrast to SI particles, inclusion of DI particles in modeled virus populations could not account for observed reassortment outcomes. DI particles were furthermore found experimentally to suppress detectable reassortment, relative to that seen with standard virus stocks, most likely by interfering with production of infectious progeny from co-infected cells. These data indicate that semi-infectious particles increase the rate of reassortment and may therefore accelerate adaptive evolution of IAV. PMID:26440404

Implicit-explicit (IMEX) Runge-Kutta methods for non-hydrostatic atmospheric models

NASA Astrophysics Data System (ADS)

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; Reynolds, Daniel R.; Ullrich, Paul A.; Woodward, Carol S.

2018-04-01

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit-explicit (IMEX) additive Runge-Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit - vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored. The accuracy and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.

Shock simulations of a single-site coarse-grain RDX model using the dissipative particle dynamics method with reactivity

NASA Astrophysics Data System (ADS)

Sellers, Michael S.; Lísal, Martin; Schweigert, Igor; Larentzos, James P.; Brennan, John K.

2017-01-01

In discrete particle simulations, when an atomistic model is coarse-grained, a tradeoff is made: a boost in computational speed for a reduction in accuracy. The Dissipative Particle Dynamics (DPD) methods help to recover lost accuracy of the viscous and thermal properties, while giving back a relatively small amount of computational speed. Since its initial development for polymers, one of the most notable extensions of DPD has been the introduction of chemical reactivity, called DPD-RX. In 2007, Maillet, Soulard, and Stoltz introduced implicit chemical reactivity in DPD through the concept of particle reactors and simulated the decomposition of liquid nitromethane. We present an extended and generalized version of the DPD-RX method, and have applied it to solid hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Demonstration simulations of reacting RDX are performed under shock conditions using a recently developed single-site coarse-grain model and a reduced RDX decomposition mechanism. A description of the methods used to simulate RDX and its transition to hot product gases within DPD-RX is presented. Additionally, we discuss several examples of the effect of shock speed and microstructure on the corresponding material chemistry.

Incompressible SPH method for simulating Newtonian and non-Newtonian flows with a free surface

NASA Astrophysics Data System (ADS)

Shao, Songdong; Lo, Edmond Y. M.

An incompressible smoothed particle hydrodynamics (SPH) method is presented to simulate Newtonian and non-Newtonian flows with free surfaces. The basic equations solved are the incompressible mass conservation and Navier-Stokes equations. The method uses prediction-correction fractional steps with the temporal velocity field integrated forward in time without enforcing incompressibility in the prediction step. The resulting deviation of particle density is then implicitly projected onto a divergence-free space to satisfy incompressibility through a pressure Poisson equation derived from an approximate pressure projection. Various SPH formulations are employed in the discretization of the relevant gradient, divergence and Laplacian terms. Free surfaces are identified by the particles whose density is below a set point. Wall boundaries are represented by particles whose positions are fixed. The SPH formulation is also extended to non-Newtonian flows and demonstrated using the Cross rheological model. The incompressible SPH method is tested by typical 2-D dam-break problems in which both water and fluid mud are considered. The computations are in good agreement with available experimental data. The different flow features between Newtonian and non-Newtonian flows after the dam-break are discussed.

A discrete element method-based approach to predict the breakage of coal

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

Gupta, Varun; Sun, Xin; Xu, Wei

Pulverization is an essential pre-combustion technique employed for solid fuels, such as coal, to reduce particle sizes. Smaller particles ensure rapid and complete combustion, leading to low carbon emissions. Traditionally, the resulting particle size distributions from pulverizers have been determined by empirical or semi-empirical approaches that rely on extensive data gathered over several decades during operations or experiments, with limited predictive capabilities for new coals and processes. Our work presents a Discrete Element Method (DEM)-based computational approach to model coal particle breakage with experimentally characterized coal physical properties. We also examined the effect of select operating parameters on the breakagemore » behavior of coal particles.« less

A discrete element method-based approach to predict the breakage of coal

DOE PAGES

Gupta, Varun; Sun, Xin; Xu, Wei; ...

2017-08-05

Pulverization is an essential pre-combustion technique employed for solid fuels, such as coal, to reduce particle sizes. Smaller particles ensure rapid and complete combustion, leading to low carbon emissions. Traditionally, the resulting particle size distributions from pulverizers have been determined by empirical or semi-empirical approaches that rely on extensive data gathered over several decades during operations or experiments, with limited predictive capabilities for new coals and processes. Our work presents a Discrete Element Method (DEM)-based computational approach to model coal particle breakage with experimentally characterized coal physical properties. We also examined the effect of select operating parameters on the breakagemore » behavior of coal particles.« less

A discrete element method-based approach to predict the breakage of coal

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

Gupta, Varun; Sun, Xin; Xu, Wei

Pulverization is an essential pre-combustion technique employed for solid fuels, such as coal, to reduce particle sizes. Smaller particles ensure rapid and complete combustion, leading to low carbon emissions. Traditionally, the resulting particle size distributions from pulverizers have been informed by empirical or semi-empirical approaches that rely on extensive data gathered over several decades during operations or experiments. However, the predictive capabilities for new coals and processes are limited. This work presents a Discrete Element Method based computational framework to predict particle size distribution resulting from the breakage of coal particles characterized by the coal’s physical properties. The effect ofmore » certain operating parameters on the breakage behavior of coal particles also is examined.« less

A linear stability analysis for nonlinear, grey, thermal radiative transfer problems

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

Wollaber, Allan B., E-mail: wollaber@lanl.go; Larsen, Edward W., E-mail: edlarsen@umich.ed

2011-02-20

We present a new linear stability analysis of three time discretizations and Monte Carlo interpretations of the nonlinear, grey thermal radiative transfer (TRT) equations: the widely used 'Implicit Monte Carlo' (IMC) equations, the Carter Forest (CF) equations, and the Ahrens-Larsen or 'Semi-Analog Monte Carlo' (SMC) equations. Using a spatial Fourier analysis of the 1-D Implicit Monte Carlo (IMC) equations that are linearized about an equilibrium solution, we show that the IMC equations are unconditionally stable (undamped perturbations do not exist) if {alpha}, the IMC time-discretization parameter, satisfies 0.5 < {alpha} {<=} 1. This is consistent with conventional wisdom. However, wemore » also show that for sufficiently large time steps, unphysical damped oscillations can exist that correspond to the lowest-frequency Fourier modes. After numerically confirming this result, we develop a method to assess the stability of any time discretization of the 0-D, nonlinear, grey, thermal radiative transfer problem. Subsequent analyses of the CF and SMC methods then demonstrate that the CF method is unconditionally stable and monotonic, but the SMC method is conditionally stable and permits unphysical oscillatory solutions that can prevent it from reaching equilibrium. This stability theory provides new conditions on the time step to guarantee monotonicity of the IMC solution, although they are likely too conservative to be used in practice. Theoretical predictions are tested and confirmed with numerical experiments.« less

A linear stability analysis for nonlinear, grey, thermal radiative transfer problems

NASA Astrophysics Data System (ADS)

Wollaber, Allan B.; Larsen, Edward W.

2011-02-01

We present a new linear stability analysis of three time discretizations and Monte Carlo interpretations of the nonlinear, grey thermal radiative transfer (TRT) equations: the widely used “Implicit Monte Carlo” (IMC) equations, the Carter Forest (CF) equations, and the Ahrens-Larsen or “Semi-Analog Monte Carlo” (SMC) equations. Using a spatial Fourier analysis of the 1-D Implicit Monte Carlo (IMC) equations that are linearized about an equilibrium solution, we show that the IMC equations are unconditionally stable (undamped perturbations do not exist) if α, the IMC time-discretization parameter, satisfies 0.5 < α ⩽ 1. This is consistent with conventional wisdom. However, we also show that for sufficiently large time steps, unphysical damped oscillations can exist that correspond to the lowest-frequency Fourier modes. After numerically confirming this result, we develop a method to assess the stability of any time discretization of the 0-D, nonlinear, grey, thermal radiative transfer problem. Subsequent analyses of the CF and SMC methods then demonstrate that the CF method is unconditionally stable and monotonic, but the SMC method is conditionally stable and permits unphysical oscillatory solutions that can prevent it from reaching equilibrium. This stability theory provides new conditions on the time step to guarantee monotonicity of the IMC solution, although they are likely too conservative to be used in practice. Theoretical predictions are tested and confirmed with numerical experiments.

FLiT: a field line trace code for magnetic confinement devices

NASA Astrophysics Data System (ADS)

Innocente, P.; Lorenzini, R.; Terranova, D.; Zanca, P.

2017-04-01

This paper presents a field line tracing code (FLiT) developed to study particle and energy transport as well as other phenomena related to magnetic topology in reversed-field pinch (RFP) and tokamak experiments. The code computes magnetic field lines in toroidal geometry using curvilinear coordinates (r, ϑ, ϕ) and calculates the intersections of these field lines with specified planes. The code also computes the magnetic and thermal diffusivity due to stochastic magnetic field in the collisionless limit. Compared to Hamiltonian codes, there are no constraints on the magnetic field functional formulation, which allows the integration of whichever magnetic field is required. The code uses the magnetic field computed by solving the zeroth-order axisymmetric equilibrium and the Newcomb equation for the first-order helical perturbation matching the edge magnetic field measurements in toroidal geometry. Two algorithms are developed to integrate the field lines: one is a dedicated implementation of a first-order semi-implicit volume-preserving integration method, and the other is based on the Adams-Moulton predictor-corrector method. As expected, the volume-preserving algorithm is accurate in conserving divergence, but slow because the low integration order requires small amplitude steps. The second algorithm proves to be quite fast and it is able to integrate the field lines in many partially and fully stochastic configurations accurately. The code has already been used to study the core and edge magnetic topology of the RFX-mod device in both the reversed-field pinch and tokamak magnetic configurations.

GILA User's Manual

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

CHRISTON, MARK A.

2003-06-01

GILA is a finite element code that has been developed specifically to attack the class of transient, incompressible, viscous, fluid dynamics problems that are predominant in the world that surrounds us. The purpose for this document is to provide sufficient information for an experienced analyst to use GILA in an effective way. The GILA User's Manual presents a technical outline of the governing equations for time-dependent incompressible flow, and the explicit and semi-implicit projection methods used in GILA to solve the equations. This manual also presents a brief overview of some of GILA's capabilities along with the keyword input syntaxmore » and sample problems.« less

Implementation of an improved adaptive-implicit method in a thermal compositional simulator

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

Tan, T.B.

1988-11-01

A multicomponent thermal simulator with an adaptive-implicit-method (AIM) formulation/inexact-adaptive-Newton (IAN) method is presented. The final coefficient matrix retains the original banded structure so that conventional iterative methods can be used. Various methods for selection of the eliminated unknowns are tested. AIM/IAN method has a lower work count per Newtonian iteration than fully implicit methods, but a wrong choice of unknowns will result in excessive Newtonian iterations. For the problems tested, the residual-error method described in the paper for selecting implicit unknowns, together with the IAN method, had an improvement of up to 28% of the CPU time over the fullymore » implicit method.« less

Localized Scale Coupling and New Educational Paradigms in Multiscale Mathematics and Science

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

Ingber, Marc; Vorobieff, Peter

2014-03-14

We have experimentally demonstrated how microscale phenomena affect suspended particle behavior on the mesoscale, and how particle group behavior on the mesoscale influences the macroscale suspension behavior. Semi-analytical and numerical methods to treat flows on different scales have been developed, and a framework to combine these scale-dependent treatment has been described.

Hawking radiation of Dirac particles from black strings

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

Ahmed, Jamil; Saifullah, K., E-mail: jamil_051@yahoo.com, E-mail: saifullah@qau.edu.pk

2011-08-01

Hawking radiation has been studied as a phenomenon of quantum tunneling in different black holes. In this paper we extend this semi-classical approach to cylindrically symmetric black holes. Using the Hamilton-Jacobi method and WKB approximation we calculate the tunneling probabilities of incoming and outgoing Dirac particles from the event horizon and find the Hawking temperature of these black holes. We obtain results both for uncharged as well as charged particles.

3D Hall MHD-EPIC Simulations of Ganymede's Magnetosphere

NASA Astrophysics Data System (ADS)

Zhou, H.; Toth, G.; Jia, X.

2017-12-01

Fully kinetic modeling of a complete 3D magnetosphere is still computationally expensive and not feasible on current computers. While magnetohydrodynamic (MHD) models have been successfully applied to a wide range of plasma simulation, they cannot capture some important kinetic effects. We have recently developed a new modeling tool to embed the implicit particle-in-cell (PIC) model iPIC3D into the Block-Adaptive-Tree-Solarwind-Roe-Upwind-Scheme (BATS-R-US) magnetohydrodynamic model. This results in a kinetic model of the regions where kinetic effects are important. In addition to the MHD-EPIC modeling of the magnetosphere, the improved model presented here is now able to represent the moon as a resistive body. We use a stretched spherical grid with adaptive mesh refinement (AMR) to capture the resistive body and its boundary. A semi-implicit scheme is employed for solving the magnetic induction equation to allow time steps that are not limited by the resistivity. We have applied the model to Ganymede, the only moon in the solar system known to possess a strong intrinsic magnetic field, and included finite resistivity beneath the moon`s surface to model the electrical properties of the interior in a self-consistent manner. The kinetic effects of electrons and ions on the dayside magnetopause and tail current sheet are captured with iPIC3D. Magnetic reconnections under different upstream background conditions of several Galileo flybys are simulated to study the global reconnection rate and the magnetospheric dynamics

Numerical analysis of partially molten splat during thermal spray process using the finite element method

NASA Astrophysics Data System (ADS)

Zirari, M.; Abdellah El-Hadj, A.; Bacha, N.

2010-03-01

A finite element method is used to simulate the deposition of the thermal spray coating process. A set of governing equations is solving by a volume of fluid method. For the solidification phenomenon, we use the specific heat method (SHM). We begin by comparing the present model with experimental and numerical model available in the literature. In this study, completely molten or semi-molten aluminum particle impacts a H13 tool steel substrate is considered. Next we investigate the effect of inclination of impact of a partially molten particle on flat substrate. It was found that the melting state of the particle has great effects on the morphologies of the splat.

Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation

PubMed Central

Botello-Smith, Wesley M.; Luo, Ray

2016-01-01

Continuum solvent models have been widely used in biomolecular modeling applications. Recently much attention has been given to inclusion of implicit membrane into existing continuum Poisson-Boltzmann solvent models to extend their applications to membrane systems. Inclusion of an implicit membrane complicates numerical solutions of the underlining Poisson-Boltzmann equation due to the dielectric inhomogeneity on the boundary surfaces of a computation grid. This can be alleviated by the use of the periodic boundary condition, a common practice in electrostatic computations in particle simulations. The conjugate gradient and successive over-relaxation methods are relatively straightforward to be adapted to periodic calculations, but their convergence rates are quite low, limiting their applications to free energy simulations that require a large number of conformations to be processed. To accelerate convergence, the Incomplete Cholesky preconditioning and the geometric multi-grid methods have been extended to incorporate periodicity for biomolecular applications. Impressive convergence behaviors were found as in the previous applications of these numerical methods to tested biomolecules and MMPBSA calculations. PMID:26389966

An automated and semi-continuous method for the analysis of water-soluble constituents in PM(2.5).

PubMed

Lee, B K; Kim, Y H; Lee, D S

2008-04-01

An automated and semi-continuous method for measuring water-soluble constituents in PM(2.5) was developed. The system consists of a multi-tube diffusion scrubber (MTDS), a low temperature particle impactor (LTPI), an inertial air/liquid separator, and two ion chromatography systems. The MTDS acts as an interfering gas removal system and also as a humidifier for growing particles. Since the MTDS operates at 40 degrees C, the loss of volatile compounds and hydrological conversion of nitrogen oxides to nitrite were not of significant concern. The condensation of water vapor, dissolution of soluble constituents, and capture of insoluble particles occurred in the LTPI. The condensed liquid containing the dissolved species and the insoluble particles was separated from the airflow using an inertial air/liquid separator. The analysis of cations and anions in the effluent liquid was performed using two ion chromatography systems. The collection efficiency, including the inlet loss, of the system was 96.6+/-7.1% at an air flow rate of 1.0 SLPM. The limits of detection ranged from 12 to 57 ng/m(3) for major ionic constituents without any pre-concentration procedure. This method was tested in the field and the average data capture was over 90%, demonstrating the reliability of the system.

Prediction of the optimum surface orientation angles to achieve maximum solar radiation using Particle Swarm Optimization in Sabha City Libya

NASA Astrophysics Data System (ADS)

Mansour, F. A.; Nizam, M.; Anwar, M.

2017-02-01

This research aims to predict the optimum surface orientation angles in solar panel installation to achieve maximum solar radiation. Incident solar radiation is calculated using koronakis mathematical model. Particle Swarm Optimization (PSO) is used as computational method to find optimum angle orientation for solar panel installation in order to get maximum solar radiation. A series of simulation has been carried out to calculate solar radiation based on monthly, seasonally, semi-yearly and yearly period. South-facing was calculated also as comparison of proposed method. South-facing considers azimuth of 0°. Proposed method attains higher incident predictions than South-facing that recorded 2511.03 kWh/m2for monthly. It were about 2486.49 kWh/m2, 2482.13 kWh/m2and 2367.68 kWh/m2 for seasonally, semi-yearly and yearly. South-facing predicted approximately 2496.89 kWh/m2, 2472.40 kWh/m2, 2468.96 kWh/m2, 2356.09 kWh/m2for monthly, seasonally, semi-yearly and yearly periods respectively. Semi-yearly is the best choice because it needs twice adjustments of solar panel in a year. Yet it considers inefficient to adjust solar panel position in every season or monthly with no significant solar radiation increase than semi-yearly and solar tracking device still considers costly in solar energy system. PSO was able to predict accurately with simple concept, easy and computationally efficient. It has been proven by finding the best fitness faster.

Explicit symplectic algorithms based on generating functions for relativistic charged particle dynamics in time-dependent electromagnetic field

NASA Astrophysics Data System (ADS)

Zhang, Ruili; Wang, Yulei; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa

2018-02-01

Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. The numerical simulation of relativistic dynamics is often multi-scale and requires accurate long-term numerical simulations. Therefore, explicit symplectic algorithms are much more preferable than non-symplectic methods and implicit symplectic algorithms. In this paper, we employ the proper time and express the Hamiltonian as the sum of exactly solvable terms and product-separable terms in space-time coordinates. Then, we give the explicit symplectic algorithms based on the generating functions of orders 2 and 3 for relativistic dynamics of a charged particle. The methodology is not new, which has been applied to non-relativistic dynamics of charged particles, but the algorithm for relativistic dynamics has much significance in practical simulations, such as the secular simulation of runaway electrons in tokamaks.

Reconstruction of fluorescence molecular tomography with a cosinoidal level set method.

PubMed

Zhang, Xuanxuan; Cao, Xu; Zhu, Shouping

2017-06-27

Implicit shape-based reconstruction method in fluorescence molecular tomography (FMT) is capable of achieving higher image clarity than image-based reconstruction method. However, the implicit shape method suffers from a low convergence speed and performs unstably due to the utilization of gradient-based optimization methods. Moreover, the implicit shape method requires priori information about the number of targets. A shape-based reconstruction scheme of FMT with a cosinoidal level set method is proposed in this paper. The Heaviside function in the classical implicit shape method is replaced with a cosine function, and then the reconstruction can be accomplished with the Levenberg-Marquardt method rather than gradient-based methods. As a result, the priori information about the number of targets is not required anymore and the choice of step length is avoided. Numerical simulations and phantom experiments were carried out to validate the proposed method. Results of the proposed method show higher contrast to noise ratios and Pearson correlations than the implicit shape method and image-based reconstruction method. Moreover, the number of iterations required in the proposed method is much less than the implicit shape method. The proposed method performs more stably, provides a faster convergence speed than the implicit shape method, and achieves higher image clarity than the image-based reconstruction method.

CALIBRATION OF SEMI-ANALYTIC MODELS OF GALAXY FORMATION USING PARTICLE SWARM OPTIMIZATION

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

Ruiz, Andrés N.; Domínguez, Mariano J.; Yaryura, Yamila

2015-03-10

We present a fast and accurate method to select an optimal set of parameters in semi-analytic models of galaxy formation and evolution (SAMs). Our approach compares the results of a model against a set of observables applying a stochastic technique called Particle Swarm Optimization (PSO), a self-learning algorithm for localizing regions of maximum likelihood in multidimensional spaces that outperforms traditional sampling methods in terms of computational cost. We apply the PSO technique to the SAG semi-analytic model combined with merger trees extracted from a standard Lambda Cold Dark Matter N-body simulation. The calibration is performed using a combination of observedmore » galaxy properties as constraints, including the local stellar mass function and the black hole to bulge mass relation. We test the ability of the PSO algorithm to find the best set of free parameters of the model by comparing the results with those obtained using a MCMC exploration. Both methods find the same maximum likelihood region, however, the PSO method requires one order of magnitude fewer evaluations. This new approach allows a fast estimation of the best-fitting parameter set in multidimensional spaces, providing a practical tool to test the consequences of including other astrophysical processes in SAMs.« less

Corrected Implicit Monte Carlo

DOE PAGES

Cleveland, Mathew Allen; Wollaber, Allan Benton

2018-01-02

Here in this work we develop a set of nonlinear correction equations to enforce a consistent time-implicit emission temperature for the original semi-implicit IMC equations. We present two possible forms of correction equations: one results in a set of non-linear, zero-dimensional, non-negative, explicit correction equations, and the other results in a non-linear, non-negative, Boltzman transport correction equation. The zero-dimensional correction equations adheres to the maximum principle for the material temperature, regardless of frequency-dependence, but does not prevent maximum principle violation in the photon intensity, eventually leading to material overheating. The Boltzman transport correction guarantees adherence to the maximum principle formore » frequency-independent simulations, at the cost of evaluating a reduced source non-linear Boltzman equation. Finally, we present numerical evidence suggesting that the Boltzman transport correction, in its current form, significantly improves time step limitations but does not guarantee adherence to the maximum principle for frequency-dependent simulations.« less

Corrected implicit Monte Carlo

NASA Astrophysics Data System (ADS)

Cleveland, M. A.; Wollaber, A. B.

2018-04-01

In this work we develop a set of nonlinear correction equations to enforce a consistent time-implicit emission temperature for the original semi-implicit IMC equations. We present two possible forms of correction equations: one results in a set of non-linear, zero-dimensional, non-negative, explicit correction equations, and the other results in a non-linear, non-negative, Boltzman transport correction equation. The zero-dimensional correction equations adheres to the maximum principle for the material temperature, regardless of frequency-dependence, but does not prevent maximum principle violation in the photon intensity, eventually leading to material overheating. The Boltzman transport correction guarantees adherence to the maximum principle for frequency-independent simulations, at the cost of evaluating a reduced source non-linear Boltzman equation. We present numerical evidence suggesting that the Boltzman transport correction, in its current form, significantly improves time step limitations but does not guarantee adherence to the maximum principle for frequency-dependent simulations.

Quantitative organic vapor-particle sampler

DOEpatents

Gundel, Lara; Daisey, Joan M.; Stevens, Robert K.

1998-01-01

A quantitative organic vapor-particle sampler for sampling semi-volatile organic gases and particulate components. A semi-volatile organic reversible gas sorbent macroreticular resin agglomerates of randomly packed microspheres with the continuous porous structure of particles ranging in size between 0.05-10 .mu.m for use in an integrated diffusion vapor-particle sampler.

Integral equation methods for vesicle electrohydrodynamics in three dimensions

NASA Astrophysics Data System (ADS)

Veerapaneni, Shravan

2016-12-01

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

A splitting integration scheme for the SPH simulation of concentrated particle suspensions

NASA Astrophysics Data System (ADS)

Bian, Xin; Ellero, Marco

2014-01-01

Simulating nearly contacting solid particles in suspension is a challenging task due to the diverging behavior of short-range lubrication forces, which pose a serious time-step limitation for explicit integration schemes. This general difficulty limits severely the total duration of simulations of concentrated suspensions. Inspired by the ideas developed in [S. Litvinov, M. Ellero, X.Y. Hu, N.A. Adams, J. Comput. Phys. 229 (2010) 5457-5464] for the simulation of highly dissipative fluids, we propose in this work a splitting integration scheme for the direct simulation of solid particles suspended in a Newtonian liquid. The scheme separates the contributions of different forces acting on the solid particles. In particular, intermediate- and long-range multi-body hydrodynamic forces, which are computed from the discretization of the Navier-Stokes equations using the smoothed particle hydrodynamics (SPH) method, are taken into account using an explicit integration; for short-range lubrication forces, velocities of pairwise interacting solid particles are updated implicitly by sweeping over all the neighboring pairs iteratively, until convergence in the solution is obtained. By using the splitting integration, simulations can be run stably and efficiently up to very large solid particle concentrations. Moreover, the proposed scheme is not limited to the SPH method presented here, but can be easily applied to other simulation techniques employed for particulate suspensions.

Parallel Semi-Implicit Spectral Element Atmospheric Model

NASA Astrophysics Data System (ADS)

Fournier, A.; Thomas, S.; Loft, R.

2001-05-01

The shallow-water equations (SWE) have long been used to test atmospheric-modeling numerical methods. The SWE contain essential wave-propagation and nonlinear effects of more complete models. We present a semi-implicit (SI) improvement of the Spectral Element Atmospheric Model to solve the SWE (SEAM, Taylor et al. 1997, Fournier et al. 2000, Thomas & Loft 2000). SE methods are h-p finite element methods combining the geometric flexibility of size-h finite elements with the accuracy of degree-p spectral methods. Our work suggests that exceptional parallel-computation performance is achievable by a General-Circulation-Model (GCM) dynamical core, even at modest climate-simulation resolutions (>1o). The code derivation involves weak variational formulation of the SWE, Gauss(-Lobatto) quadrature over the collocation points, and Legendre cardinal interpolators. Appropriate weak variation yields a symmetric positive-definite Helmholtz operator. To meet the Ladyzhenskaya-Babuska-Brezzi inf-sup condition and avoid spurious modes, we use a staggered grid. The SI scheme combines leapfrog and Crank-Nicholson schemes for the nonlinear and linear terms respectively. The localization of operations to elements ideally fits the method to cache-based microprocessor computer architectures --derivatives are computed as collections of small (8x8), naturally cache-blocked matrix-vector products. SEAM also has desirable boundary-exchange communication, like finite-difference models. Timings on on the IBM SP and Compaq ES40 supercomputers indicate that the SI code (20-min timestep) requires 1/3 the CPU time of the explicit code (2-min timestep) for T42 resolutions. Both codes scale nearly linearly out to 400 processors. We achieved single-processor performance up to 30% of peak for both codes on the 375-MHz IBM Power-3 processors. Fast computation and linear scaling lead to a useful climate-simulation dycore only if enough model time is computed per unit wall-clock time. An efficient SI solver is essential to substantially increase this rate. Parallel preconditioning for an iterative conjugate-gradient elliptic solver is described. We are building a GCM dycore capable of 200 GF% lOPS sustained performance on clustered RISC/cache architectures using hybrid MPI/OpenMP programming.

Advanced particle-in-cell simulation techniques for modeling the Lockheed Martin Compact Fusion Reactor

NASA Astrophysics Data System (ADS)

Welch, Dale; Font, Gabriel; Mitchell, Robert; Rose, David

2017-10-01

We report on particle-in-cell developments of the study of the Compact Fusion Reactor. Millisecond, two and three-dimensional simulations (cubic meter volume) of confinement and neutral beam heating of the magnetic confinement device requires accurate representation of the complex orbits, near perfect energy conservation, and significant computational power. In order to determine initial plasma fill and neutral beam heating, these simulations include ionization, elastic and charge exchange hydrogen reactions. To this end, we are pursuing fast electromagnetic kinetic modeling algorithms including a two implicit techniques and a hybrid quasi-neutral algorithm with kinetic ions. The kinetic modeling includes use of the Poisson-corrected direct implicit, magnetic implicit, as well as second-order cloud-in-cell techniques. The hybrid algorithm, ignoring electron inertial effects, is two orders of magnitude faster than kinetic but not as accurate with respect to confinement. The advantages and disadvantages of these techniques will be presented. Funded by Lockheed Martin.

Two-dimensional HID light source radiative transfer using discrete ordinates method

NASA Astrophysics Data System (ADS)

Ghrib, Basma; Bouaoun, Mohamed; Elloumi, Hatem

2016-08-01

This paper shows the implementation of the Discrete Ordinates Method for handling radiation problems in High Intensity Discharge (HID) lamps. Therefore, we start with presenting this rigorous method for treatment of radiation transfer in a two-dimensional, axisymmetric HID lamp. Furthermore, the finite volume method is used for the spatial discretization of the Radiative Transfer Equation. The atom and electron densities were calculated using temperature profiles established by a 2D semi-implicit finite-element scheme for the solution of conservation equations relative to energy, momentum, and mass. Spectral intensities as a function of position and direction are first calculated, and then axial and radial radiative fluxes are evaluated as well as the net emission coefficient. The results are given for a HID mercury lamp on a line-by-line basis. A particular attention is paid on the 253.7 nm resonance and 546.1 nm green lines.

Computational technique and performance of Transient Inundation Model for Rivers--2 Dimensional (TRIM2RD) : a depth-averaged two-dimensional flow model

USGS Publications Warehouse

Fulford, Janice M.

2003-01-01

A numerical computer model, Transient Inundation Model for Rivers -- 2 Dimensional (TrimR2D), that solves the two-dimensional depth-averaged flow equations is documented and discussed. The model uses a semi-implicit, semi-Lagrangian finite-difference method. It is a variant of the Trim model and has been used successfully in estuarine environments such as San Francisco Bay. The abilities of the model are documented for three scenarios: uniform depth flows, laboratory dam-break flows, and large-scale riverine flows. The model can start computations from a ?dry? bed and converge to accurate solutions. Inflows are expressed as source terms, which limits the use of the model to sufficiently long reaches where the flow reaches equilibrium with the channel. The data sets used by the investigation demonstrate that the model accurately propagates flood waves through long river reaches and simulates dam breaks with abrupt water-surface changes.

How Mentor Identity Evolves: Findings From a 10-Year Follow-Up Study of a National Professional Development Program.

PubMed

Balmer, Dorene F; Darden, Alix; Chandran, Latha; D'Alessandro, Donna; Gusic, Maryellen E

2018-02-20

Despite academic medicine's endorsement of professional development and mentoring, little is known about what junior faculty learn about mentoring in the implicit curriculum of professional development programs, and how their mentor identity evolves in this context. The authors explored what faculty-participants in the Educational Scholars Program implicitly learned about mentoring and how the implicit curriculum affected mentor identity transformation. Semi-structured interviews with 19 of 36 former faculty-participants were conducted in 2016. Consistent with constructivist grounded theory, data collection and analysis overlapped. The authors created initial codes informed by Ibarra's model for identity transformation, iteratively revised codes based on patterns in incoming data, and created visual representations of relationships amongst codes in order to gain a holistic and shared understanding of the data. In the implicit curriculum, faculty-participants learned the importance of having multiple mentors, the value of peer mentors, and the incremental process of becoming a mentor. The authors used Ibarra's model to understand how the implicit curriculum worked to transform mentor identity: faculty-participants reported observing mentors, experimenting with different ways to mentor and to be a mentor, and evaluating themselves as mentors. The Educational Scholars Program's implicit curriculum facilitated faculty-participants taking on a mentor identity via opportunities it afforded to watch mentors, experiment with mentoring, and evaluate self as mentor, key ingredients for professional identity construction. Leaders of professional development programs can develop faculty as mentors by capitalizing on what faculty-participants learn in the implicit curriculum and deliberately structuring post-graduation mentoring opportunities.

The 3-D numerical simulation research of vacuum injector for linear induction accelerator

NASA Astrophysics Data System (ADS)

Liu, Dagang; Xie, Mengjun; Tang, Xinbing; Liao, Shuqing

2017-01-01

Simulation method for voltage in-feed and electron injection of vacuum injector is given, and verification of the simulated voltage and current is carried out. The numerical simulation for the magnetic field of solenoid is implemented, and a comparative analysis is conducted between the simulation results and experimental results. A semi-implicit difference algorithm is adopted to suppress the numerical noise, and a parallel acceleration algorithm is used for increasing the computation speed. The RMS emittance calculation method of the beam envelope equations is analyzed. In addition, the simulated results of RMS emittance are compared with the experimental data. Finally, influences of the ferromagnetic rings on the radial and axial magnetic fields of solenoid as well as the emittance of beam are studied.

Instabilities and Turbulence Generation by Pick-Up Ion Distributions in the Outer Heliosheath

NASA Astrophysics Data System (ADS)

Weichman, K.; Roytershteyn, V.; Delzanno, G. L.; Pogorelov, N.

2017-12-01

Pick-up ions (PUIs) play a significant role in the dynamics of the heliosphere. One problem that has attracted significant attention is the stability of ring-like distributions of PUIs and the electromagnetic fluctuations that could be generated by PUI distributions. For example, PUI stability is relevant to theories attempting to identify the origins of the IBEX ribbon. PUIs have previously been investigated by linear stability analysis of model (e.g. Gaussian) rings and corresponding computer simulations. The majority of these simulations utilized particle-in-cell methods which suffer from accuracy limitations imposed by the statistical noise associated with representing the plasma by a relatively small number of computational particles. In this work, we utilize highly accurate spectral Vlasov simulations conducted using the fully kinetic implicit code SPS (Spectral Plasma Solver) to investigate the PUI distributions inferred from a global heliospheric model (Heerikhuisen et al., 2016). Results are compared with those obtained by hybrid and fully kinetic particle-in-cell methods.

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

DOE PAGES

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; ...

2018-04-17

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

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

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

The feasibility of using explicit method for linear correction of the particle size variation using NIR Spectroscopy combined with PLS2regression method

NASA Astrophysics Data System (ADS)

Yulia, M.; Suhandy, D.

2018-03-01

NIR spectra obtained from spectral data acquisition system contains both chemical information of samples as well as physical information of the samples, such as particle size and bulk density. Several methods have been established for developing calibration models that can compensate for sample physical information variations. One common approach is to include physical information variation in the calibration model both explicitly and implicitly. The objective of this study was to evaluate the feasibility of using explicit method to compensate the influence of different particle size of coffee powder in NIR calibration model performance. A number of 220 coffee powder samples with two different types of coffee (civet and non-civet) and two different particle sizes (212 and 500 µm) were prepared. Spectral data was acquired using NIR spectrometer equipped with an integrating sphere for diffuse reflectance measurement. A discrimination method based on PLS-DA was conducted and the influence of different particle size on the performance of PLS-DA was investigated. In explicit method, we add directly the particle size as predicted variable results in an X block containing only the NIR spectra and a Y block containing the particle size and type of coffee. The explicit inclusion of the particle size into the calibration model is expected to improve the accuracy of type of coffee determination. The result shows that using explicit method the quality of the developed calibration model for type of coffee determination is a little bit superior with coefficient of determination (R2) = 0.99 and root mean square error of cross-validation (RMSECV) = 0.041. The performance of the PLS2 calibration model for type of coffee determination with particle size compensation was quite good and able to predict the type of coffee in two different particle sizes with relatively high R2 pred values. The prediction also resulted in low bias and RMSEP values.

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

NASA Astrophysics Data System (ADS)

Pal Singh Bhalla, Amneet; Griffith, Boyce E.; Patankar, Neelesh A.; Donev, Aleksandar

2013-12-01

We develop an immersed boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a minimally-resolved "blob" using many fewer degrees of freedom per particle than standard discretization approaches. More complicated or more highly resolved particle shapes can be built out of a collection of reactive blobs. We demonstrate numerically that the blob model can provide an accurate representation at low to moderate packing densities of the reactive particles, at a cost not much larger than solving a Poisson equation in the same domain. Unlike multipole expansion methods, our method does not require analytically computed Green's functions, but rather, computes regularized discrete Green's functions on the fly by using a standard grid-based discretization of the Poisson equation. This allows for great flexibility in implementing different boundary conditions, coupling to fluid flow or thermal transport, and the inclusion of other effects such as temporal evolution and even nonlinearities. We develop multigrid-based preconditioners for solving the linear systems that arise when using implicit temporal discretizations or studying steady states. In the diffusion-limited case the resulting linear system is a saddle-point problem, the efficient solution of which remains a challenge for suspensions of many particles. We validate our method by comparing to published results on reaction-diffusion in ordered and disordered suspensions of reactive spheres.

Implicit Incompressible SPH.

PubMed

Ihmsen, Markus; Cornelis, Jens; Solenthaler, Barbara; Horvath, Christopher; Teschner, Matthias

2013-07-25

We propose a novel formulation of the projection method for Smoothed Particle Hydrodynamics (SPH). We combine a symmetric SPH pressure force and an SPH discretization of the continuity equation to obtain a discretized form of the pressure Poisson equation (PPE). In contrast to previous projection schemes, our system does consider the actual computation of the pressure force. This incorporation improves the convergence rate of the solver. Furthermore, we propose to compute the density deviation based on velocities instead of positions as this formulation improves the robustness of the time-integration scheme. We show that our novel formulation outperforms previous projection schemes and state-of-the-art SPH methods. Large time steps and small density deviations of down to 0.01% can be handled in typical scenarios. The practical relevance of the approach is illustrated by scenarios with up to 40 million SPH particles.

Implicit incompressible SPH.

PubMed

Ihmsen, Markus; Cornelis, Jens; Solenthaler, Barbara; Horvath, Christopher; Teschner, Matthias

2014-03-01

We propose a novel formulation of the projection method for Smoothed Particle Hydrodynamics (SPH). We combine a symmetric SPH pressure force and an SPH discretization of the continuity equation to obtain a discretized form of the pressure Poisson equation (PPE). In contrast to previous projection schemes, our system does consider the actual computation of the pressure force. This incorporation improves the convergence rate of the solver. Furthermore, we propose to compute the density deviation based on velocities instead of positions as this formulation improves the robustness of the time-integration scheme. We show that our novel formulation outperforms previous projection schemes and state-of-the-art SPH methods. Large time steps and small density deviations of down to 0.01 percent can be handled in typical scenarios. The practical relevance of the approach is illustrated by scenarios with up to 40 million SPH particles.

Shock Simulations of Single-Site Coarse-Grain RDX using the Dissipative Particle Dynamics Method with Reactivity

NASA Astrophysics Data System (ADS)

Sellers, Michael; Lisal, Martin; Schweigert, Igor; Larentzos, James; Brennan, John

2015-06-01

In discrete particle simulations, when an atomistic model is coarse-grained, a trade-off is made: a boost in computational speed for a reduction in accuracy. Dissipative Particle Dynamics (DPD) methods help to recover accuracy in viscous and thermal properties, while giving back a small amount of computational speed. One of the most notable extensions of DPD has been the introduction of chemical reactivity, called DPD-RX. Today, pairing the current evolution of DPD-RX with a coarse-grained potential and its chemical decomposition reactions allows for the simulation of the shock behavior of energetic materials at a timescale faster than an atomistic counterpart. In 2007, Maillet et al. introduced implicit chemical reactivity in DPD through the concept of particle reactors and simulated the decomposition of liquid nitromethane. We have recently extended the DPD-RX method and have applied it to solid hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) under shock conditions using a recently developed single-site coarse-grain model and a reduced RDX decomposition mechanism. A description of the methods used to simulate RDX and its tranition to hot product gases within DPD-RX will be presented. Additionally, examples of the effect of microstructure on shock behavior will be shown. Approved for public release. Distribution is unlimited.

Single file diffusion into a semi-infinite tube.

PubMed

Farrell, Spencer G; Brown, Aidan I; Rutenberg, Andrew D

2015-11-23

We investigate single file diffusion (SFD) of large particles entering a semi-infinite tube, such as luminal diffusion of proteins into microtubules or flagella. While single-file effects have no impact on the evolution of particle density, we report significant single-file effects for individually tracked tracer particle motion. Both exact and approximate ordering statistics of particles entering semi-infinite tubes agree well with our stochastic simulations. Considering initially empty semi-infinite tubes, with particles entering at one end starting from an initial time t = 0, tracked particles are initially super-diffusive after entering the system, but asymptotically diffusive at later times. For finite time intervals, the ratio of the net displacement of individual single-file particles to the average displacement of untracked particles is reduced at early times and enhanced at later times. When each particle is numbered, from the first to enter (n = 1) to the most recent (n = N), we find good scaling collapse of this distance ratio for all n. Experimental techniques that track individual particles, or local groups of particles, such as photo-activation or photobleaching of fluorescently tagged proteins, should be able to observe these single-file effects. However, biological phenomena that depend on local concentration, such as flagellar extension or luminal enzymatic activity, should not exhibit single-file effects.

Characterization of oxide nanoparticles in Al-free and Al-containing oxide dispersion strengthened ferritic steels.

PubMed

Lee, Jae Hoon; Kim, Jeoung Han

2013-09-01

Oxide nanoparticles in oxide dispersion strengthened (ODS) ferritic steels with and without Al have been characterized by transmission electron microscopy. It is confirmed that most of the complex oxide particles consist of Y2TiO5 for 18Cr-ODS steel and YAlO3 or YAl5O12 for 18Cr5Al-ODS steel, respectivley. The addition of 5% Al in 18Cr-ODS steel leads to the formation of larger oxide particles and the reduction in their number density. For 18Cr-ODS steel, 87% of the oxide particles are coherent. The misfit strain of the coherent particles and a few semi-coherent particles is about 0.034 and 0.056, respectively. For 18Cr5Al-ODS steel, 75% of the oxide particles are semi-coherent, of which the misfit strain is 0.091 and 0.125, respectively. These results suggest that for the Al-containing ODS steel the Al addition accelerates the formation of semi-coherent oxide particles and its larger coherent and semi-coherent particles result in the larger misfit strain between the oxide particle and alloy matrix, indicating that the coherence of oxide nanoparticles in ODS steels is size-dependent.

The ePLAS code for Ignition Studies

NASA Astrophysics Data System (ADS)

Faehl, R. J.; Mason, R. J.; Kirkpatrick, R. C.

2012-10-01

The ePLAS code is a multi-fluid/PIC hybrid developing self-consistent E & B-fields by the Implicit Moment Method for stable calculations of high density plasma problems with voids on the electron Courant time scale. See: http://www.researchapplicationscorp.com. Here, we outline typical applications to: 1) short pulse driven electron transport along void (or high Z) insulated wires, and 2) the 2D development of shock ignition pressure peaks with B-fields. We outline the code's recent inclusion of SESAME EOS data, a DT/DD burn capability, a new option for K-alpha imaging of modeling output, and demonstrate a foil expansion tracked with either fluid or particle ions. Also, we describe a new super-hybrid extension of our implicit solver that permits full target dynamics studies on the ion Courant scale. Finally, we will touch on the very recent application of ePLAS to possible non-local/kinetic hydro effects NIF capsules.

THE IMPLICIT CONTRIBUTION OF SLAB MODES TO THE PERPENDICULAR DIFFUSION COEFFICIENT OF PARTICLES INTERACTING WITH TWO-COMPONENT TURBULENCE

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

Shalchi, A., E-mail: andreasm4@yahoo.com

2016-10-20

We explore the transport of energetic particles in two-component turbulence in which the stochastic magnetic field is assumed to be a superposition of slab and two-dimensional modes. It is known that in magnetostatic slab turbulence, the motion of particles across the mean magnetic field is subdiffusive. If a two-dimensional component is added, diffusion is recovered. It was also shown before that in two-component turbulence, the slab modes do not explicitly contribute to the perpendicular diffusion coefficient. In the current paper, the implicit contribution of slab modes is explored and it is shown that this contribution leads to a reduction ofmore » the perpendicular diffusion coefficient. This effect improves the agreement between simulations and analytical theory. Furthermore, the obtained results are relevant for investigations of diffusive shock acceleration.« less

Impact of the Formulation Pathway on the Colloidal State and Crystallinity of Poly-ε-caprolactone Particles Prepared by Solvent Displacement.

PubMed

Pucci, Carlotta; Cousin, Fabrice; Dole, François; Chapel, Jean-Paul; Schatz, Christophe

2018-02-20

The formulation pathway and/or the mixing method are known to be relevant in many out-of-equilibrium processes. In this work, we studied the effect of the mixing conditions on the physicochemical properties of poly-ε-caprolactone (PCL) particles prepared by solvent displacement. More specifically, water was added in one shot (fast addition) or drop by drop to PCL solution in tetrahydrofuran (THF) to study the impact of the mixing process on particle properties including size, stability, and crystallinity. Two distinct composition maps representing the Ouzo domain characteristic of the presence of metastable nanoparticles have been established for each mixing method. Polymer nanoparticles are formed in the Ouzo domain according to a nucleation and growth (or aggregation) mechanism. The fast addition promotes a larger nucleation rate, thus favoring the formation of small and uniform particles. For the drop-by-drop addition, for which the polymer solubility gradually decreases, the composition trajectories systematically cross an intermediate unstable region between the solubility limit of the polymer and the Ouzo domain. This leads to heterogeneous nucleation as shown by the formation of larger and less stable particles. Particles formed in the Ouzo domain have semi-crystalline properties. The PCL melting point is decreased with the THF fraction trapped in particles in accordance with Flory's theory for melt crystallization. On the other hand, the degree of crystallinity is constant, around 20% regardless of the THF fraction. No difference between fast and slow addition could be detected on the semi-crystalline properties of the particles which emphasize that thermodynamic rather than kinetic factors drive the polymer crystallization in particles. The recovery of bulk PCL crystallinity after the removal of THF from particles tends to confirm this hypothesis.

Investigation of high-speed free shear flows using improved pressure-strain correlated Reynolds stress turbulence model

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Lakshmanan, B.

1993-01-01

A high-speed shear layer is studied using compressibility corrected Reynolds stress turbulence model which employs newly developed model for pressure-strain correlation. MacCormack explicit prediction-corrector method is used for solving the governing equations and the turbulence transport equations. The stiffness arising due to source terms in the turbulence equations is handled by a semi-implicit numerical technique. Results obtained using the new model show a sharper reduction in growth rate with increasing convective Mach number. Some improvements were also noted in the prediction of the normalized streamwise stress and Reynolds shear stress. The computed results are in good agreement with the experimental data.

Adaptive particle-based pore-level modeling of incompressible fluid flow in porous media: a direct and parallel approach

NASA Astrophysics Data System (ADS)

Ovaysi, S.; Piri, M.

2009-12-01

We present a three-dimensional fully dynamic parallel particle-based model for direct pore-level simulation of incompressible viscous fluid flow in disordered porous media. The model was developed from scratch and is capable of simulating flow directly in three-dimensional high-resolution microtomography images of naturally occurring or man-made porous systems. It reads the images as input where the position of the solid walls are given. The entire medium, i.e., solid and fluid, is then discretized using particles. The model is based on Moving Particle Semi-implicit (MPS) technique. We modify this technique in order to improve its stability. The model handles highly irregular fluid-solid boundaries effectively. It takes into account viscous pressure drop in addition to the gravity forces. It conserves mass and can automatically detect any false connectivity with fluid particles in the neighboring pores and throats. It includes a sophisticated algorithm to automatically split and merge particles to maintain hydraulic connectivity of extremely narrow conduits. Furthermore, it uses novel methods to handle particle inconsistencies and open boundaries. To handle the computational load, we present a fully parallel version of the model that runs on distributed memory computer clusters and exhibits excellent scalability. The model is used to simulate unsteady-state flow problems under different conditions starting from straight noncircular capillary tubes with different cross-sectional shapes, i.e., circular/elliptical, square/rectangular and triangular cross-sections. We compare the predicted dimensionless hydraulic conductances with the data available in the literature and observe an excellent agreement. We then test the scalability of our parallel model with two samples of an artificial sandstone, samples A and B, with different volumes and different distributions (non-uniform and uniform) of solid particles among the processors. An excellent linear scalability is obtained for sample B that has more uniform distribution of solid particles leading to a superior load balancing. The model is then used to simulate fluid flow directly in REV size three-dimensional x-ray images of a naturally occurring sandstone. We analyze the quality and consistency of the predicted flow behavior and calculate absolute permeability, which compares well with the available network modeling and Lattice-Boltzmann permeabilities available in the literature for the same sandstone. We show that the model conserves mass very well and is stable computationally even at very narrow fluid conduits. The transient- and the steady-state fluid flow patterns are presented as well as the steady-state flow rates to compute absolute permeability. Furthermore, we discuss the vital role of our adaptive particle resolution scheme in preserving the original pore connectivity of the samples and their narrow channels through splitting and merging of fluid particles.

Energy peaks: A high energy physics outlook

NASA Astrophysics Data System (ADS)

Franceschini, Roberto

2017-12-01

Energy distributions of decay products carry information on the kinematics of the decay in ways that are at the same time straightforward and quite hidden. I will review these properties and discuss their early historical applications, as well as more recent ones in the context of (i) methods for the measurement of masses of new physics particle with semi-invisible decays, (ii) the characterization of Dark Matter particles produced at colliders, (iii) precision mass measurements of Standard Model particles, in particular of the top quark. Finally, I will give an outlook of further developments and applications of energy peak method for high energy physics at colliders and beyond.

Shell Corrections Stabilizing Superheavy Nuclei and Semi-spheroidal Atomic Clusters

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

Poenaru, Dorin N.

2008-01-24

The macroscopic-microscopic method is used to illustrate the shell effect stabilizing superheavy nuclei and to study the stability of semi-spheroidal clusters deposited on planar surfaces. The alpha decay of superheavy nuclei is calculated using three models: the analytical superasymmetric fission model; the universal curve, and the semiempirical formula taking into account the shell effects. Analytical relationships are obtained for the energy levels of the new semi-spheroidal harmonic oscillator (SSHO) single-particle model and for the surface and curvature energies of the semi-spheroidal clusters. The maximum degeneracy of the SSHO is reached at a super-deformed prolate shape for which the minimum ofmore » the liquid drop model energy is also attained.« less

Making Explicit the Implicit: Child Life Specialists Talk about Their Assessment Process

ERIC Educational Resources Information Center

Turner, Joan C.; Fralic, Jessica

2009-01-01

The purpose of this study was to explore the assessment process of child life specialists. During semi-structured interviews, twelve respondents talked about the experience of meeting a child and family for the first time, revealing aspects of the assessment process that developed in their ongoing interactions. The respondents spoke of building…

Scalability of Semi-Implicit Time Integrators for Nonhydrostatic Galerkin-based Atmospheric Models on Large Scale Cluster

DTIC Science & Technology

2011-01-01

present performance statistics to explain the scalability behavior. Keywords-atmospheric models, time intergrators , MPI, scal- ability, performance; I...across inter-element bound- aries. Basis functions are constructed as tensor products of Lagrange polynomials ψi (x) = hα(ξ) ⊗ hβ(η) ⊗ hγ(ζ)., where hα

Adults Living with Type 2 Diabetes: Kept Personal Health Information Items as Expressions of Need

ERIC Educational Resources Information Center

Whetstone, Melinda

2013-01-01

This study investigated personal information behavior and information needs that 21 adults managing life with Type 2 diabetes identify explicitly and implicitly during discussions of item acquisition and use of health information items that are kept in their homes. Research drew upon a naturalistic lens, in that semi-structured interviews were…

Ocean Data Assimilation: A Coastal Application

DTIC Science & Technology

2009-01-01

tcchnique with a semi-implicit formulation for the vertical acoustic modes (Ho- dur 1997; Hodur et al. 2002; Doyle et al. 2(08). A Robert time filter...r;,d i<l tion pyrometer was used to me<lsure SST with O. loe precision and O.SoC absolute ;Iccuracy. Sample ::l ircrllft p;Jths for J 3 August 2003

An exact solution to the relativistic equation of motion of a charged particle driven by a linearly polarized electromagnetic wave

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1988-01-01

An exact analytic solution is found for a basic electromagnetic wave-charged particle interaction by solving the nonlinear equations of motion. The particle position, velocity, and corresponding time are found to be explicit functions of the total phase of the wave. Particle position and velocity are thus implicit functions of time. Applications include describing the motion of a free electron driven by an intense laser beam..

Thermo-Hydro-Micro-Mechanical 3D Modeling of a Fault Gouge During Co-seismic Slip

NASA Astrophysics Data System (ADS)

Papachristos, E.; Stefanou, I.; Sulem, J.; Donze, F. V.

2017-12-01

A coupled Thermo-Hydro-Micro-Mechanical (THMM) model based on the Discrete Elements method (DEM) is presented for studying the evolving fault gouge properties during pre- and co-seismic slip. Modeling the behavior of the fault gouge at the microscale is expected to improve our understanding on the various mechanisms that lead to slip weakening and finally control the transition from aseismic to seismic slip.The gouge is considered as a granular material of spherical particles [1]. Upon loading, the interactions between particles follow a frictional behavior and explicit dynamics. Using regular triangulation, a pore network is defined by the physical pore space between the particles. The network is saturated by a compressible fluid, and flow takes place following Stoke's equations. Particles' movement leads to pore deformation and thus to local pore pressure increase. Forces exerted from the fluid onto the particles are calculated using mid-step velocities. The fluid forces are then added to the contact forces resulting from the mechanical interactions before the next step.The same semi-implicit, two way iterative coupling is used for the heat-exchange through conduction.Simple tests have been performed to verify the model against analytical solutions and experimental results. Furthermore, the model was used to study the effect of temperature on the evolution of effective stress in the system and to highlight the role of thermal pressurization during seismic slip [2, 3].The analyses are expected to give grounds for enhancing the current state-of-the-art constitutive models regarding fault friction and shed light on the evolution of fault zone propertiesduring seismic slip.[1] Omid Dorostkar, Robert A Guyer, Paul A Johnson, Chris Marone, and Jan Carmeliet. On the role of fluids in stick-slip dynamics of saturated granular fault gouge using a coupled computational fluid dynamics-discrete element approach. Journal of Geophysical Research: Solid Earth, 122(5):3689-3700, 2017.[2] James R Rice. Heating and weakening of faults during earthquake slip. Journal of Geophysical Research: Solid Earth, 111(B5), 2006.[3] Jean Sulem, Ioannis Stefanou, and Emmanuil Veveakis. Stability analysis of undrained adiabatic shearing of a rock layer with cosserat microstructure. Granular Matter, 13(3):261-268,2011.

The role of attention in human motor resonance

PubMed Central

Leonetti, Antonella; Landau, Ayelet; Fornia, Luca; Cerri, Gabriella; Borroni, Paola

2017-01-01

Observation of others' actions evokes in primary motor cortex and spinal circuits of observers a subliminal motor resonance response, which reflects the motor program encoding observed actions. We investigated the role of attention in human motor resonance with four experimental conditions, explored in different subject groups: in the first explicit condition, subjects were asked to observe a rhythmic hand flexion-extension movement performed live in front of them. In two other conditions subjects had to monitor the activity of a LED light mounted on the oscillating hand. The hand was clearly visible but it was not the focus of subjects’ attention: in the semi-implicit condition hand movement was relevant to task completion, while in the implicit condition it was irrelevant. In a fourth, baseline, condition subjects observed the rhythmic oscillation of a metal platform. Motor resonance was measured with the H-reflex technique as the excitability modulation of cortico-spinal motorneurons driving a hand flexor muscle. As expected, a normal resonant response developed in the explicit condition, and no resonant response in the baseline condition. Resonant responses also developed in both semi-implicit and implicit conditions and, surprisingly, were not different from each other, indicating that viewing an action is, per se, a powerful stimulus for the action observation network, even when it is not the primary focus of subjects’ attention and even when irrelevant to the task. However, the amplitude of these responses was much reduced compared to the explicit condition, and the phase-lock between the time courses of observed movement and resonant motor program was lost. In conclusion, different parameters of the response were differently affected by subtraction of attentional resources with respect to the explicit condition: time course and muscle selection were preserved while the activation of motor circuits resulted in much reduced amplitude and lost its kinematic specificity. PMID:28510605

Smoothed Particle Inference Analysis of SNR RCW 103

NASA Astrophysics Data System (ADS)

Frank, Kari A.; Burrows, David N.; Dwarkadas, Vikram

2016-04-01

We present preliminary results of applying a novel analysis method, Smoothed Particle Inference (SPI), to an XMM-Newton observation of SNR RCW 103. SPI is a Bayesian modeling process that fits a population of gas blobs ("smoothed particles") such that their superposed emission reproduces the observed spatial and spectral distribution of photons. Emission-weighted distributions of plasma properties, such as abundances and temperatures, are then extracted from the properties of the individual blobs. This technique has important advantages over analysis techniques which implicitly assume that remnants are two-dimensional objects in which each line of sight encompasses a single plasma. By contrast, SPI allows superposition of as many blobs of plasma as are needed to match the spectrum observed in each direction, without the need to bin the data spatially. This RCW 103 analysis is part of a pilot study for the larger SPIES (Smoothed Particle Inference Exploration of SNRs) project, in which SPI will be applied to a sample of 12 bright SNRs.

Implicit associations with popularity in early adolescence: an approach-avoidance analysis.

PubMed

Lansu, Tessa A M; Cillessen, Antonius H N; Karremans, Johan C

2012-01-01

This study examined 241 early adolescents' implicit and explicit associations with popularity. The peer status and gender of both the targets and the perceivers were considered. Explicit associations with popularity were assessed with sociometric methods. Implicit associations with popularity were assessed with an approach-avoidance task (AAT). Explicit evaluations of popularity were positive, but implicit associations were negative: Avoidance reactions to popular peers were faster than approach reactions. Interactions with the status of the perceiver indicated that unpopular participants had stronger negative implicit reactions to popular girls than did popular participants. This study demonstrated a negative reaction to popularity that cannot be revealed with explicit methods. The study of implicit processes with methods such as the AAT is a new and important direction for peer relations research.

Chemical ageing and transformation of diffusivity in semi-solid multi-component organic aerosol particles

NASA Astrophysics Data System (ADS)

Pfrang, C.; Shiraiwa, M.; Pöschl, U.

2011-04-01

Recent experimental evidence underlines the importance of reduced diffusivity in amorphous semi-solid or glassy atmospheric aerosols. This paper investigates the impact of diffusivity on the ageing of multi-component reactive organic particles representative of atmospheric cooking aerosols. We apply and extend the recently developed KM-SUB model in a study of a 12-component mixture containing oleic and palmitoleic acids. We demonstrate that changes in the diffusivity may explain the evolution of chemical loss rates in ageing semi-solid particles, and we resolve surface and bulk processes under transient reaction conditions considering diffusivities altered by oligomerisation. This new model treatment allows prediction of the ageing of mixed organic multi-component aerosols over atmospherically relevant time scales and conditions. We illustrate the impact of changing diffusivity on the chemical half-life of reactive components in semi-solid particles, and we demonstrate how solidification and crust formation at the particle surface can affect the chemical transformation of organic aerosols.

Chemical ageing and transformation of diffusivity in semi-solid multi-component organic aerosol particles

NASA Astrophysics Data System (ADS)

Pfrang, C.; Shiraiwa, M.; Pöschl, U.

2011-07-01

Recent experimental evidence underlines the importance of reduced diffusivity in amorphous semi-solid or glassy atmospheric aerosols. This paper investigates the impact of diffusivity on the ageing of multi-component reactive organic particles approximating atmospheric cooking aerosols. We apply and extend the recently developed KM-SUB model in a study of a 12-component mixture containing oleic and palmitoleic acids. We demonstrate that changes in the diffusivity may explain the evolution of chemical loss rates in ageing semi-solid particles, and we resolve surface and bulk processes under transient reaction conditions considering diffusivities altered by oligomerisation. This new model treatment allows prediction of the ageing of mixed organic multi-component aerosols over atmospherically relevant timescales and conditions. We illustrate the impact of changing diffusivity on the chemical half-life of reactive components in semi-solid particles, and we demonstrate how solidification and crust formation at the particle surface can affect the chemical transformation of organic aerosols.

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.

Real-time adaptive finite element solution of time-dependent Kohn-Sham equation

NASA Astrophysics Data System (ADS)

Bao, Gang; Hu, Guanghui; Liu, Di

2015-01-01

In our previous paper (Bao et al., 2012 [1]), a general framework of using adaptive finite element methods to solve the Kohn-Sham equation has been presented. This work is concerned with solving the time-dependent Kohn-Sham equations. The numerical methods are studied in the time domain, which can be employed to explain both the linear and the nonlinear effects. A Crank-Nicolson scheme and linear finite element space are employed for the temporal and spatial discretizations, respectively. To resolve the trouble regions in the time-dependent simulations, a heuristic error indicator is introduced for the mesh adaptive methods. An algebraic multigrid solver is developed to efficiently solve the complex-valued system derived from the semi-implicit scheme. A mask function is employed to remove or reduce the boundary reflection of the wavefunction. The effectiveness of our method is verified by numerical simulations for both linear and nonlinear phenomena, in which the effectiveness of the mesh adaptive methods is clearly demonstrated.

Advances in numerical and applied mathematics

NASA Technical Reports Server (NTRS)

South, J. C., Jr. (Editor); Hussaini, M. Y. (Editor)

1986-01-01

This collection of papers covers some recent developments in numerical analysis and computational fluid dynamics. Some of these studies are of a fundamental nature. They address basic issues such as intermediate boundary conditions for approximate factorization schemes, existence and uniqueness of steady states for time dependent problems, and pitfalls of implicit time stepping. The other studies deal with modern numerical methods such as total variation diminishing schemes, higher order variants of vortex and particle methods, spectral multidomain techniques, and front tracking techniques. There is also a paper on adaptive grids. The fluid dynamics papers treat the classical problems of imcompressible flows in helically coiled pipes, vortex breakdown, and transonic flows.

Application of an efficient hybrid scheme for aeroelastic analysis of advanced propellers

NASA Technical Reports Server (NTRS)

Srivastava, R.; Sankar, N. L.; Reddy, T. S. R.; Huff, D. L.

1989-01-01

An efficient 3-D hybrid scheme is applied for solving Euler equations to analyze advanced propellers. The scheme treats the spanwise direction semi-explicitly and the other two directions implicitly, without affecting the accuracy, as compared to a fully implicit scheme. This leads to a reduction in computer time and memory requirement. The calculated power coefficients for two advanced propellers, SR3 and SR7L, and various advanced ratios showed good correlation with experiment. Spanwise distribution of elemental power coefficient and steady pressure coefficient differences also showed good agreement with experiment. A study of the effect of structural flexibility on the performance of the advanced propellers showed that structural deformation due to centrifugal and aero loading should be included for better correlation.

Pedagogical perspectives and implicit theories of teaching: First year science teachers emerging from a constructivist science education program

NASA Astrophysics Data System (ADS)

Dias, Michael James

Traditional, teacher-centered pedagogies dominate current teaching practice in science education despite numerous research-based assertions that promote more progressive, student-centered teaching methods. Best-practice research emerging from science education reform efforts promotes experiential, collaborative learning environments in line with the constructivist referent. Thus there is a need to identify specific teacher education program designs that will promote the utilization of constructivist theory among new teachers. This study explored the learning-to-teach process of four first-year high school teachers, all graduates of a constructivist-based science education program known as Teacher Education Environments in Mathematics and Science (TEEMS). Pedagogical perspectives and implicit theories were explored to identify common themes and their relation to the pre-service program and the teaching context. Qualitative methods were employed to gather and analyze the data. In depth, semi-structured interviews (Seidman, 1998) formed the primary data for probing the context and details of the teachers' experience as well as the personal meaning derived from first year practice. Teacher journals and teaching artifacts were utilized to validate and challenge the primary data. Through an open-coding technique (Strauss & Corbin, 1990) codes, and themes were generated from which assertions were made. The pedagogical perspectives apparent among the participants in this study emerged as six patterns in teaching method: (1) utilization of grouping strategies, (2) utilization of techniques that allow the students to help teach, (3) similar format of daily instructional strategy, (4) utilization of techniques intended to promote engagement, (5) utilization of review strategies, (6) assessment by daily monitoring and traditional tests, (7) restructuring content knowledge. Assertions from implicit theory data include: (1) Time constraints and lack of teaching experience made inquiry teaching difficult to implement for the first year teachers in this study. (2) Commitment to teaching and supportive relationships at the school helped the first year teachers negotiate a satisfying role. (3) A congruence existed between the first-year teachers' implicit theories and the social/experiential design of TEEMS. This congruence represented a narrowing of the gap between educational theory and practice. Implications for science-teacher education highlight the potential for experiential program designs to narrow the gap between educational theory and practice.

Together and Alone a Study of Interactions between Toddlers and Childcare Providers during Mealtime in Norwegian Childcare Centres

ERIC Educational Resources Information Center

Klette, Trine; Drugli, May Britt; Aandahl, Ann Mari

2018-01-01

The study investigated the quality of interactions between childcare providers and toddlers during a lunch in childcare centres. Meals in childcare centres are semi-structured adult-led situations where the children not only eat, but are also provided with opportunities for implicit learning and interactions. Participants were 13 toddlers aged…

Decision-Making, Tacit Knowledge, and Motivation in Semi-Professional Practice: Humanizing the Environment through Anthropomorphism in Clinical Laboratory Science

ERIC Educational Resources Information Center

Mortier, Teresa

2017-01-01

The clinical laboratory science field requires an abundance of technical knowledge; however, the importance of implicit or tacit knowledge gained through observation and practice is often discounted in this field, even though it is a critical part of reflective thinking, critical thinking, and reflective practice. The "de-skilling" of…

Downwind evolution of the volatility and mixing state of near-road aerosols near a US interstate highway

NASA Astrophysics Data System (ADS)

Saha, Provat K.; Khlystov, Andrey; Grieshop, Andrew P.

2018-02-01

We present spatial measurements of particle volatility and mixing state at a site near a North Carolina interstate highway (I-40) applying several heating (thermodenuder; TD) experimental approaches. Measurements were conducted in summer 2015 and winter 2016 in a roadside trailer (10 m from road edge) and during downwind transects at different distances from the highway under favorable wind conditions using a mobile platform. Results show that the relative abundance of semi-volatile species (SVOCs) in ultrafine particles decreases with downwind distance, which is consistent with the dilution and mixing of traffic-sourced particles with background air and evaporation of semi-volatile species during downwind transport. An evaporation kinetics model was used to derive particle volatility distributions by fitting TD data. While the TD-derived distribution apportions about 20-30 % of particle mass as semi-volatile (SVOCs; effective saturation concentration, C∗ ≥ 1µm-3) at 10 m from the road edge, approximately 10 % of particle mass is attributed to SVOCs at 220 m, showing that the particle-phase semi-volatile fraction decreases with downwind distance. The relative abundance of semi-volatile material in the particle phase increased during winter. Downwind spatial gradients of the less volatile particle fraction (that remaining after heating at 180 °C) were strongly correlated with black carbon (BC). BC size distribution and mixing state measured using a single-particle soot photometer (SP2) at the roadside trailer showed that a large fraction (70-80 %) of BC particles were externally mixed. Heating experiments with a volatility tandem differential mobility analyzer (V-TDMA) also showed that the nonvolatile fraction in roadside aerosols is mostly externally mixed. V-TDMA measurements at different distances downwind from the highway indicate that the mixing state of roadside aerosols does not change significantly (e.g., BC mostly remains externally mixed) within a few hundred meters from the highway. Our analysis indicates that a superposition of volatility distributions measured in laboratory vehicle tests and of background aerosol can be used to represent the observed partitioning of near-road particles. The results from this study show that exposures and impacts of BC and semi-volatile organics-containing particles in a roadside microenvironment may differ across seasons and under changing ambient conditions.

Simple, low-cost fabrication of semi-circular channel using the surface tension of solder paste and its application to microfluidic valves.

PubMed

Yan, Sheng; Li, Yuxing; Zhu, Yuanqing; Liu, Minsu; Zhao, Qianbin; Yuan, Dan; Yun, Guolin; Zhang, Shiwu; Wen, Weijia; Tang, Shi-Yang; Li, Weihua

2018-06-01

This work presents a simple, low-cost method to fabricate semi-circular channels using solder paste, which can amalgamate the cooper surface to form a half-cylinder mold using the surface tension of Sn-Pd alloy (the main component in solder paste). This technique enables semi-circular channels to be manufactured with different dimensions. These semi-circular channels will then be integrated with a polymethylmethacrylate frame and machine screws to create miniaturized, portable microfluidic valves for sequential liquid delivery and particle synthesis. This approach avoids complicated fabrication processes and expensive facilities and thus has the potential to be a useful tool for lab-on-a-chip applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Using Implicit Measures to Highlight Science Teachers' Implicit Theories of Intelligence

ERIC Educational Resources Information Center

Mascret, Nicolas; Roussel, Peggy; Cury, François

2015-01-01

Using an innovative method, a Single-Target Implicit Association Test (ST-IAT) was created to explore the implicit theories of intelligence among science and liberal arts teachers and their relationships with their gender. The results showed that for science teachers--especially for male teachers--there was a negative implicit association between…

Toward the Application of the Implicit Particle Filter to Real Data in a Shallow Water Model of the Nearshore Ocean

NASA Astrophysics Data System (ADS)

Miller, R.

2015-12-01

Following the success of the implicit particle filter in twin experiments with a shallow water model of the nearshore environment, the planned next step is application to the intensive Sandy Duck data set, gathered at Duck, NC. Adaptation of the present system to the Sandy Duck data set will require construction and evaluation of error models for both the model and the data, as well as significant modification of the system to allow for the properties of the data set. Successful implementation of the particle filter promises to shed light on the details of the capabilities and limitations of shallow water models of the nearshore ocean relative to more detailed models. Since the shallow water model admits distinct dynamical regimes, reliable parameter estimation will be important. Previous work by other groups give cause for optimism. In this talk I will describe my progress toward implementation of the new system, including problems solved, pitfalls remaining and preliminary results

Particle distributions in collisionless magnetic reconnection: An implicit Particle-In-Cell (PIC) description

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

Hewett, D.W.; Francis, G.E.; Max, C.E.

1990-06-29

Evidence from magnetospheric and solar flare research supports the belief that collisionless magnetic reconnection can proceed on the Alfven-wave crossing timescale. Reconnection behavior that occurs this rapidly in collisionless plasmas is not well understood because underlying mechanisms depend on the details of the ion and electron distributions in the vicinity of the emerging X-points. We use the direct implicit Particle-In-Cell (PIC) code AVANTI to study the details of these distributions as they evolve in the self-consistent E and B fields of magnetic reconnection. We first consider a simple neutral sheet model. We observe rapid movement of the current-carrying electrons awaymore » from the emerging X-point. Later in time an oscillation of the trapped magnetic flux is found, superimposed upon continued linear growth due to plasma inflow at the ion sound speed. The addition of a current-aligned and a normal B field widen the scope of our studies.« less

A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries.

PubMed

Asgharzadeh, Hafez; Borazjani, Iman

2017-02-15

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42 - 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

A Newton–Krylov method with an approximate analytical Jacobian for implicit solution of Navier–Stokes equations on staggered overset-curvilinear grids with immersed boundaries

PubMed Central

Asgharzadeh, Hafez; Borazjani, Iman

2016-01-01

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for nonlinear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42 – 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80–90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future. PMID:28042172

A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries

NASA Astrophysics Data System (ADS)

Asgharzadeh, Hafez; Borazjani, Iman

2017-02-01

The explicit and semi-implicit schemes in flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates. Implicit schemes can be used to overcome these restrictions, but implementing them to solve the Navier-Stokes equations is not straightforward due to their non-linearity. Among the implicit schemes for non-linear equations, Newton-based techniques are preferred over fixed-point techniques because of their high convergence rate but each Newton iteration is more expensive than a fixed-point iteration. Krylov subspace methods are one of the most advanced iterative methods that can be combined with Newton methods, i.e., Newton-Krylov Methods (NKMs) to solve non-linear systems of equations. The success of NKMs vastly depends on the scheme for forming the Jacobian, e.g., automatic differentiation is very expensive, and matrix-free methods without a preconditioner slow down as the mesh is refined. A novel, computationally inexpensive analytical Jacobian for NKM is developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered overset-curvilinear grids with immersed boundaries. Moreover, the analytical Jacobian is used to form a preconditioner for matrix-free method in order to improve its performance. The NKM with the analytical Jacobian was validated and verified against Taylor-Green vortex, inline oscillations of a cylinder in a fluid initially at rest, and pulsatile flow in a 90 degree bend. The capability of the method in handling complex geometries with multiple overset grids and immersed boundaries is shown by simulating an intracranial aneurysm. It was shown that the NKM with an analytical Jacobian is 1.17 to 14.77 times faster than the fixed-point Runge-Kutta method, and 1.74 to 152.3 times (excluding an intensively stretched grid) faster than automatic differentiation depending on the grid (size) and the flow problem. In addition, it was shown that using only the diagonal of the Jacobian further improves the performance by 42-74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal and full Jacobian, respectivley, when the stretching factor was increased. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

An implicit semianalytic numerical method for the solution of nonequilibrium chemistry problems

NASA Technical Reports Server (NTRS)

Graves, R. A., Jr.; Gnoffo, P. A.; Boughner, R. E.

1974-01-01

The first order differential equation form systems of equations. They are solved by a simple and relatively accurate implicit semianalytic technique which is derived from a quadrature solution of the governing equation. This method is mathematically simpler than most implicit methods and has the exponential nature of the problem embedded in the solution.

User's manual for the one-dimensional hypersonic experimental aero-thermodynamic (1DHEAT) data reduction code

NASA Technical Reports Server (NTRS)

Hollis, Brian R.

1995-01-01

A FORTRAN computer code for the reduction and analysis of experimental heat transfer data has been developed. This code can be utilized to determine heat transfer rates from surface temperature measurements made using either thin-film resistance gages or coaxial surface thermocouples. Both an analytical and a numerical finite-volume heat transfer model are implemented in this code. The analytical solution is based on a one-dimensional, semi-infinite wall thickness model with the approximation of constant substrate thermal properties, which is empirically corrected for the effects of variable thermal properties. The finite-volume solution is based on a one-dimensional, implicit discretization. The finite-volume model directly incorporates the effects of variable substrate thermal properties and does not require the semi-finite wall thickness approximation used in the analytical model. This model also includes the option of a multiple-layer substrate. Fast, accurate results can be obtained using either method. This code has been used to reduce several sets of aerodynamic heating data, of which samples are included in this report.

A hybrid incremental projection method for thermal-hydraulics applications

NASA Astrophysics Data System (ADS)

Christon, Mark A.; Bakosi, Jozsef; Nadiga, Balasubramanya T.; Berndt, Markus; Francois, Marianne M.; Stagg, Alan K.; Xia, Yidong; Luo, Hong

2016-07-01

A new second-order accurate, hybrid, incremental projection method for time-dependent incompressible viscous flow is introduced in this paper. The hybrid finite-element/finite-volume discretization circumvents the well-known Ladyzhenskaya-Babuška-Brezzi conditions for stability, and does not require special treatment to filter pressure modes by either Rhie-Chow interpolation or by using a Petrov-Galerkin finite element formulation. The use of a co-velocity with a high-resolution advection method and a linearly consistent edge-based treatment of viscous/diffusive terms yields a robust algorithm for a broad spectrum of incompressible flows. The high-resolution advection method is shown to deliver second-order spatial convergence on mixed element topology meshes, and the implicit advective treatment significantly increases the stable time-step size. The algorithm is robust and extensible, permitting the incorporation of features such as porous media flow, RANS and LES turbulence models, and semi-/fully-implicit time stepping. A series of verification and validation problems are used to illustrate the convergence properties of the algorithm. The temporal stability properties are demonstrated on a range of problems with 2 ≤ CFL ≤ 100. The new flow solver is built using the Hydra multiphysics toolkit. The Hydra toolkit is written in C++ and provides a rich suite of extensible and fully-parallel components that permit rapid application development, supports multiple discretization techniques, provides I/O interfaces, dynamic run-time load balancing and data migration, and interfaces to scalable popular linear solvers, e.g., in open-source packages such as HYPRE, PETSc, and Trilinos.

A hybrid incremental projection method for thermal-hydraulics applications

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

Christon, Mark A.; Bakosi, Jozsef; Nadiga, Balasubramanya T.

In this paper, a new second-order accurate, hybrid, incremental projection method for time-dependent incompressible viscous flow is introduced in this paper. The hybrid finite-element/finite-volume discretization circumvents the well-known Ladyzhenskaya–Babuška–Brezzi conditions for stability, and does not require special treatment to filter pressure modes by either Rhie–Chow interpolation or by using a Petrov–Galerkin finite element formulation. The use of a co-velocity with a high-resolution advection method and a linearly consistent edge-based treatment of viscous/diffusive terms yields a robust algorithm for a broad spectrum of incompressible flows. The high-resolution advection method is shown to deliver second-order spatial convergence on mixed element topology meshes,more » and the implicit advective treatment significantly increases the stable time-step size. The algorithm is robust and extensible, permitting the incorporation of features such as porous media flow, RANS and LES turbulence models, and semi-/fully-implicit time stepping. A series of verification and validation problems are used to illustrate the convergence properties of the algorithm. The temporal stability properties are demonstrated on a range of problems with 2 ≤ CFL ≤ 100. The new flow solver is built using the Hydra multiphysics toolkit. The Hydra toolkit is written in C++ and provides a rich suite of extensible and fully-parallel components that permit rapid application development, supports multiple discretization techniques, provides I/O interfaces, dynamic run-time load balancing and data migration, and interfaces to scalable popular linear solvers, e.g., in open-source packages such as HYPRE, PETSc, and Trilinos.« less

A hybrid incremental projection method for thermal-hydraulics applications

DOE PAGES

Christon, Mark A.; Bakosi, Jozsef; Nadiga, Balasubramanya T.; ...

2016-07-01

In this paper, a new second-order accurate, hybrid, incremental projection method for time-dependent incompressible viscous flow is introduced in this paper. The hybrid finite-element/finite-volume discretization circumvents the well-known Ladyzhenskaya–Babuška–Brezzi conditions for stability, and does not require special treatment to filter pressure modes by either Rhie–Chow interpolation or by using a Petrov–Galerkin finite element formulation. The use of a co-velocity with a high-resolution advection method and a linearly consistent edge-based treatment of viscous/diffusive terms yields a robust algorithm for a broad spectrum of incompressible flows. The high-resolution advection method is shown to deliver second-order spatial convergence on mixed element topology meshes,more » and the implicit advective treatment significantly increases the stable time-step size. The algorithm is robust and extensible, permitting the incorporation of features such as porous media flow, RANS and LES turbulence models, and semi-/fully-implicit time stepping. A series of verification and validation problems are used to illustrate the convergence properties of the algorithm. The temporal stability properties are demonstrated on a range of problems with 2 ≤ CFL ≤ 100. The new flow solver is built using the Hydra multiphysics toolkit. The Hydra toolkit is written in C++ and provides a rich suite of extensible and fully-parallel components that permit rapid application development, supports multiple discretization techniques, provides I/O interfaces, dynamic run-time load balancing and data migration, and interfaces to scalable popular linear solvers, e.g., in open-source packages such as HYPRE, PETSc, and Trilinos.« less

Phonon-particle coupling effects in odd-even mass differences of semi-magic nuclei

NASA Astrophysics Data System (ADS)

Saperstein, E. E.; Baldo, M.; Pankratov, S. S.; Tolokonnikov, S. V.

2017-11-01

A method to evaluate the particle-phonon coupling (PC) corrections to the single-particle energies in semi-magic nuclei, based on a direct solving the Dyson equation with PC corrected mass operator, is used for finding the odd-even mass difference between 18 even Pb isotopes and their odd-proton neighbors. The Fayans energy density functional (EDF) DF3-a is used which gives rather high accuracy of the predictions for these mass differences already on the mean-field level, with the average deviation from the existing experimental data equal to 0.389 MeV. It is only a bit worse than the corresponding value of 0.333 MeV for the Skyrme EDF HFB-17, which belongs to a family of Skyrme EDFs with the highest overall accuracy in describing the nuclear masses. Account for the PC corrections induced by the low-laying phonons 2 1 + and 3 1 - significantly diminishes the deviation of the theory from the data till 0.218 MeV.

Acceleration methods for multi-physics compressible flow

NASA Astrophysics Data System (ADS)

Peles, Oren; Turkel, Eli

2018-04-01

In this work we investigate the Runge-Kutta (RK)/Implicit smoother scheme as a convergence accelerator for complex multi-physics flow problems including turbulent, reactive and also two-phase flows. The flows considered are subsonic, transonic and supersonic flows in complex geometries, and also can be either steady or unsteady flows. All of these problems are considered to be a very stiff. We then introduce an acceleration method for the compressible Navier-Stokes equations. We start with the multigrid method for pure subsonic flow, including reactive flows. We then add the Rossow-Swanson-Turkel RK/Implicit smoother that enables performing all these complex flow simulations with a reasonable CFL number. We next discuss the RK/Implicit smoother for time dependent problem and also for low Mach numbers. The preconditioner includes an intrinsic low Mach number treatment inside the smoother operator. We also develop a modified Roe scheme with a corresponding flux Jacobian matrix. We then give the extension of the method for real gas and reactive flow. Reactive flows are governed by a system of inhomogeneous Navier-Stokes equations with very stiff source terms. The extension of the RK/Implicit smoother requires an approximation of the source term Jacobian. The properties of the Jacobian are very important for the stability of the method. We discuss what the chemical physics theory of chemical kinetics tells about the mathematical properties of the Jacobian matrix. We focus on the implication of the Le-Chatelier's principle on the sign of the diagonal entries of the Jacobian. We present the implementation of the method for turbulent flow. We use a two RANS turbulent model - one equation model - Spalart-Allmaras and a two-equation model - k-ω SST model. The last extension is for two-phase flows with a gas as a main phase and Eulerian representation of a dispersed particles phase (EDP). We present some examples for such flow computations inside a ballistic evaluation rocket motor. The numerical examples in this work include transonic flow about a RAE2822 airfoil, about a M6 Onera wing, NACA0012 airfoil at very low Mach number, two-phase flow inside a Ballistic evaluation motor (BEM), a turbulent reactive shear layer and a time dependent Sod's tube problem.

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.

Noiseless Vlasov-Poisson simulations with linearly transformed particles

DOE PAGES

Pinto, Martin C.; Sonnendrucker, Eric; Friedman, Alex; ...

2014-06-25

We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts of using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development ofmore » Denavit's Forward Semi-Lagrangian (FSL) scheme (Denavit, 1972 [8]). However, it has recently been established (Campos Pinto, 2012 [20]) that the underlying Linearly-Transformed Particle scheme converges for abstract transport problems, with no need to remap the particles; deforming the particles can thus be seen as a way to significantly lower the remapping frequency needed in the FSL schemes, and hence the associated numerical diffusion. To couple the method with electrostatic field solvers, two specific charge deposition schemes are examined, and their performance compared with that of the standard deposition method. Finally, numerical 1d1v simulations involving benchmark test cases and halo formation in an initially mismatched thermal sheet beam demonstrate some advantages of our LTPIC scheme over the classical PIC and FSL methods. Lastly, benchmarked test cases also indicate that, for numerical choices involving similar computational effort, the LTPIC method is capable of accuracy comparable to or exceeding that of state-of-the-art, high-resolution Vlasov schemes.« less

A semi-analytical method to evaluate the dielectric response of a tokamak plasma accounting for drift orbit effects

NASA Astrophysics Data System (ADS)

Van Eester, Dirk

2005-03-01

A semi-analytical method is proposed to evaluate the dielectric response of a plasma to electromagnetic waves in the ion cyclotron domain of frequencies in a D-shaped but axisymmetric toroidal geometry. The actual drift orbit of the particles is accounted for. The method hinges on subdividing the orbit into elementary segments in which the integrations can be performed analytically or by tabulation, and it relies on the local book-keeping of the relation between the toroidal angular momentum and the poloidal flux function. Depending on which variables are chosen, the method allows computation of elementary building blocks for either the wave or the Fokker-Planck equation, but the accent is mainly on the latter. Two types of tangent resonance are distinguished.

Some calculations of transonic potential flow for the NACA 64A006 airfoil with oscillating flap

NASA Technical Reports Server (NTRS)

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

1978-01-01

A method for calculating the transonic flow over steady and oscillating airfoils was developed by Isogai. It solves the full potential equation 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. In this paper the method is described in general terms, and results are compared with experimental data for both steady flow and for oscillations at several values of reduced frequency. Good agreement for static pressures is shown for subcritical speeds, with increasing deviation as Mach number is increased into the supercritical speed range. Fair agreement with experiment was obtained at high reduced frequencies with larger deviations at low reduced frequencies.

Simultaneous Heat and Mass Transfer Model for Convective Drying of Building Material

NASA Astrophysics Data System (ADS)

Upadhyay, Ashwani; Chandramohan, V. P.

2018-04-01

A mathematical model of simultaneous heat and moisture transfer is developed for convective drying of building material. A rectangular brick is considered for sample object. Finite-difference method with semi-implicit scheme is used for solving the transient governing heat and mass transfer equation. Convective boundary condition is used, as the product is exposed in hot air. The heat and mass transfer equations are coupled through diffusion coefficient which is assumed as the function of temperature of the product. Set of algebraic equations are generated through space and time discretization. The discretized algebraic equations are solved by Gauss-Siedel method via iteration. Grid and time independent studies are performed for finding the optimum number of nodal points and time steps respectively. A MATLAB computer code is developed to solve the heat and mass transfer equations simultaneously. Transient heat and mass transfer simulations are performed to find the temperature and moisture distribution inside the brick.

An implicit time-marching method for studying unsteady flow with massive separation

NASA Technical Reports Server (NTRS)

Osswald, G. A.; Ghia, K. N.; Chia, U.

1985-01-01

A fully implicit time-marching method is developed such that all spatial derivatives are approximated using central differences, but no use is made of any artificial dissipation. The numerical method solves the discretized equations using Alternating Direction Implicit-Block Gaussian Elimination technique. The method is implemented in the unsteady analysis, which solves the incompressible Navier-Stokes equations in terms of vorticity and stream function in generalized orthogonal coordinates. A clustered conformal C-grid is employed, and every effort is made to resolve the various length scales in the flow problem. The metric discontinuity at the branch-cut is treated appropriately using analytic continuation. Introduction of the BGE reordering permits implicit treatment of the branch cut in the numerical method. The vorticity singularity at the cusped trailing edge is also appropriately treated. This accurate and efficient implicit method is used to study flow at Re = 1000, past a 12-percent thick symmetric Joukowski airfoil at high angle of attack 30 and 53 deg.

Application of Semi-Definite Programming for Many-Fermion Systems

NASA Astrophysics Data System (ADS)

Zhao, Zhengji; Braams, Bastiaan; Fukuda, Mituhiro; Overton, Michael

2003-03-01

The ground state energy and other important observables of a many-fermion system with one- and two-body interactions only can all be obtained from the first order and second order Reduced Density Matrices (RDM's) of the system. Using these density matrices and a family of associated representability conditions one may obtain an approximation method for electronic structure theory that is in the mathematical form of Semi-Definite Programming (SDP): minimize a linear matrix functional over a space of positive semidefinite matrices subject to linear constraints. The representability conditions are some known necessary conditions, starting with the well-known P, Q, and G conditions [Claude Garrod and Jerome K. Percus, Reducation of the N-Particle Variational Problem, J. Math. Phys. 5 (1964) 1756-1776]. The RDM method with SDP has great potential advantages over the wave function method when the particle number N is large. The dimension of the full configuration space increases exponentially with N, but in RDM method with SDP the dimension of the objective matrix (which includes RDM's) increases only polynomially with N. We will report on the effect of adding the generalized three-index conditions proposed in [R. M. Erdahl, Representability, Int. J. Quantum Chem. 13 (1978) 697-718].

TECHNICAL NOTE: PERFORMANCE OF A PERSONAL ELECTROSTATIC PRECIPITATOR PARTICLE SAMPLER

EPA Science Inventory

Filter-based methods used to measure aerosols with semi-volatile constituents are subject to biases from adsorption and volatilization that may occur during sampling (McDow et al., 1990, Turpin et al., 1994, Volckens et al., 1999; Tolocka et al. 2001). The development and eval...

Coincidence probability as a measure of the average phase-space density at freeze-out

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.; Zalewski, K.

2006-02-01

It is pointed out that the average semi-inclusive particle phase-space density at freeze-out can be determined from the coincidence probability of the events observed in multiparticle production. The method of measurement is described and its accuracy examined.

Significant body point labeling and tracking.

PubMed

Azhar, Faisal; Tjahjadi, Tardi

2014-09-01

In this paper, a method is presented to label and track anatomical landmarks (e.g., head, hand/arm, feet), which are referred to as significant body points (SBPs), using implicit body models. By considering the human body as an inverted pendulum model, ellipse fitting and contour moments are applied to classify it as being in Stand, Sit, or Lie posture. A convex hull of the silhouette contour is used to determine the locations of SBPs. The particle filter or a motion flow-based method is used to predict SBPs in occlusion. Stick figures of various activities are generated by connecting the SBPs. The qualitative and quantitative evaluation show that the proposed method robustly labels and tracks SBPs in various activities of two different (low and high) resolution data sets.

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

On the Convergence of an Implicitly Restarted Arnoldi Method

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

Lehoucq, Richard B.

We show that Sorensen's [35] implicitly restarted Arnoldi method (including its block extension) is simultaneous iteration with an implicit projection step to accelerate convergence to the invariant subspace of interest. By using the geometric convergence theory for simultaneous iteration due to Watkins and Elsner [43], we prove that an implicitly restarted Arnoldi method can achieve a super-linear rate of convergence to the dominant invariant subspace of a matrix. Moreover, we show how an IRAM computes a nested sequence of approximations for the partial Schur decomposition associated with the dominant invariant subspace of a matrix.

An improved random walk algorithm for the implicit Monte Carlo method

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

Keady, Kendra P., E-mail: keadyk@lanl.gov; Cleveland, Mathew A.

In this work, we introduce a modified Implicit Monte Carlo (IMC) Random Walk (RW) algorithm, which increases simulation efficiency for multigroup radiative transfer problems with strongly frequency-dependent opacities. To date, the RW method has only been implemented in “fully-gray” form; that is, the multigroup IMC opacities are group-collapsed over the full frequency domain of the problem to obtain a gray diffusion problem for RW. This formulation works well for problems with large spatial cells and/or opacities that are weakly dependent on frequency; however, the efficiency of the RW method degrades when the spatial cells are thin or the opacities aremore » a strong function of frequency. To address this inefficiency, we introduce a RW frequency group cutoff in each spatial cell, which divides the frequency domain into optically thick and optically thin components. In the modified algorithm, opacities for the RW diffusion problem are obtained by group-collapsing IMC opacities below the frequency group cutoff. Particles with frequencies above the cutoff are transported via standard IMC, while particles below the cutoff are eligible for RW. This greatly increases the total number of RW steps taken per IMC time-step, which in turn improves the efficiency of the simulation. We refer to this new method as Partially-Gray Random Walk (PGRW). We present numerical results for several multigroup radiative transfer problems, which show that the PGRW method is significantly more efficient than standard RW for several problems of interest. In general, PGRW decreases runtimes by a factor of ∼2–4 compared to standard RW, and a factor of ∼3–6 compared to standard IMC. While PGRW is slower than frequency-dependent Discrete Diffusion Monte Carlo (DDMC), it is also easier to adapt to unstructured meshes and can be used in spatial cells where DDMC is not applicable. This suggests that it may be optimal to employ both DDMC and PGRW in a single simulation.« less

Uncovering Implicit Assumptions: A Large-Scale Study on Students' Mental Models of Diffusion

ERIC Educational Resources Information Center

Stains, Marilyne; Sevian, Hannah

2015-01-01

Students' mental models of diffusion in a gas phase solution were studied through the use of the Structure and Motion of Matter (SAMM) survey. This survey permits identification of categories of ways students think about the structure of the gaseous solute and solvent, the origin of motion of gas particles, and trajectories of solute particles in…

Spacecraft charging analysis with the implicit particle-in-cell code iPic3D

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

Deca, J.; Lapenta, G.; Marchand, R.

2013-10-15

We present the first results on the analysis of spacecraft charging with the implicit particle-in-cell code iPic3D, designed for running on massively parallel supercomputers. The numerical algorithm is presented, highlighting the implementation of the electrostatic solver and the immersed boundary algorithm; the latter which creates the possibility to handle complex spacecraft geometries. As a first step in the verification process, a comparison is made between the floating potential obtained with iPic3D and with Orbital Motion Limited theory for a spherical particle in a uniform stationary plasma. Second, the numerical model is verified for a CubeSat benchmark by comparing simulation resultsmore » with those of PTetra for space environment conditions with increasing levels of complexity. In particular, we consider spacecraft charging from plasma particle collection, photoelectron and secondary electron emission. The influence of a background magnetic field on the floating potential profile near the spacecraft is also considered. Although the numerical approaches in iPic3D and PTetra are rather different, good agreement is found between the two models, raising the level of confidence in both codes to predict and evaluate the complex plasma environment around spacecraft.« less

Sampling, feasibility, and priors in data assimilation

DOE PAGES

Tu, Xuemin; Morzfeld, Matthias; Miller, Robert N.; ...

2016-03-01

Importance sampling algorithms are discussed in detail, with an emphasis on implicit sampling, and applied to data assimilation via particle filters. Implicit sampling makes it possible to use the data to find high-probability samples at relatively low cost, making the assimilation more efficient. A new analysis of the feasibility of data assimilation is presented, showing in detail why feasibility depends on the Frobenius norm of the covariance matrix of the noise and not on the number of variables. A discussion of the convergence of particular particle filters follows. A major open problem in numerical data assimilation is the determination ofmore » appropriate priors, a progress report on recent work on this problem is given. The analysis highlights the need for a careful attention both to the data and to the physics in data assimilation problems.« less

Alternating direction implicit methods for parabolic equations with a mixed derivative

NASA Technical Reports Server (NTRS)

Beam, R. M.; Warming, R. F.

1980-01-01

Alternating direction implicit (ADI) schemes for two-dimensional parabolic equations with a mixed derivative are constructed by using the class of all A(0)-stable linear two-step methods in conjunction with the method of approximate factorization. The mixed derivative is treated with an explicit two-step method which is compatible with an implicit A(0)-stable method. The parameter space for which the resulting ADI schemes are second-order accurate and unconditionally stable is determined. Some numerical examples are given.

Alternating direction implicit methods for parabolic equations with a mixed derivative

NASA Technical Reports Server (NTRS)

Beam, R. M.; Warming, R. F.

1979-01-01

Alternating direction implicit (ADI) schemes for two-dimensional parabolic equations with a mixed derivative are constructed by using the class of all A sub 0-stable linear two-step methods in conjunction with the method of approximation factorization. The mixed derivative is treated with an explicit two-step method which is compatible with an implicit A sub 0-stable method. The parameter space for which the resulting ADI schemes are second order accurate and unconditionally stable is determined. Some numerical examples are given.

Parallel Implementation of a High Order Implicit Collocation Method for the Heat Equation

NASA Technical Reports Server (NTRS)

Kouatchou, Jules; Halem, Milton (Technical Monitor)

2000-01-01

We combine a high order compact finite difference approximation and collocation techniques to numerically solve the two dimensional heat equation. The resulting method is implicit arid can be parallelized with a strategy that allows parallelization across both time and space. We compare the parallel implementation of the new method with a classical implicit method, namely the Crank-Nicolson method, where the parallelization is done across space only. Numerical experiments are carried out on the SGI Origin 2000.

One-dimensional Lagrangian implicit hydrodynamic algorithm for Inertial Confinement Fusion applications

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

Ramis, Rafael, E-mail: rafael.ramis@upm.es

A new one-dimensional hydrodynamic algorithm, specifically developed for Inertial Confinement Fusion (ICF) applications, is presented. The scheme uses a fully conservative Lagrangian formulation in planar, cylindrical, and spherically symmetric geometries, and supports arbitrary equations of state with separate ion and electron components. Fluid equations are discretized on a staggered grid and stabilized by means of an artificial viscosity formulation. The space discretized equations are advanced in time using an implicit algorithm. The method includes several numerical parameters that can be adjusted locally. In regions with low Courant–Friedrichs–Lewy (CFL) number, where stability is not an issue, they can be adjusted tomore » optimize the accuracy. In typical problems, the truncation error can be reduced by a factor between 2 to 10 in comparison with conventional explicit algorithms. On the other hand, in regions with high CFL numbers, the parameters can be set to guarantee unconditional stability. The method can be integrated into complex ICF codes. This is demonstrated through several examples covering a wide range of situations: from thermonuclear ignition physics, where alpha particles are managed as an additional species, to low intensity laser–matter interaction, where liquid–vapor phase transitions occur.« less

Implicit Statistical Learning and Language Skills in Bilingual Children

ERIC Educational Resources Information Center

Yim, Dongsun; Rudoy, John

2013-01-01

Purpose: Implicit statistical learning in 2 nonlinguistic domains (visual and auditory) was used to investigate (a) whether linguistic experience influences the underlying learning mechanism and (b) whether there are modality constraints in predicting implicit statistical learning with age and language skills. Method: Implicit statistical learning…

An in-depth stability analysis of nonuniform FDTD combined with novel local implicitization techniques

NASA Astrophysics Data System (ADS)

Van Londersele, Arne; De Zutter, Daniël; Vande Ginste, Dries

2017-08-01

This work focuses on efficient full-wave solutions of multiscale electromagnetic problems in the time domain. Three local implicitization techniques are proposed and carefully analyzed in order to relax the traditional time step limit of the Finite-Difference Time-Domain (FDTD) method on a nonuniform, staggered, tensor product grid: Newmark, Crank-Nicolson (CN) and Alternating-Direction-Implicit (ADI) implicitization. All of them are applied in preferable directions, alike Hybrid Implicit-Explicit (HIE) methods, as to limit the rank of the sparse linear systems. Both exponential and linear stability are rigorously investigated for arbitrary grid spacings and arbitrary inhomogeneous, possibly lossy, isotropic media. Numerical examples confirm the conservation of energy inside a cavity for a million iterations if the time step is chosen below the proposed, relaxed limit. Apart from the theoretical contributions, new accomplishments such as the development of the leapfrog Alternating-Direction-Hybrid-Implicit-Explicit (ADHIE) FDTD method and a less stringent Courant-like time step limit for the conventional, fully explicit FDTD method on a nonuniform grid, have immediate practical applications.

An implicit boundary integral method for computing electric potential of macromolecules in solvent

NASA Astrophysics Data System (ADS)

Zhong, Yimin; Ren, Kui; Tsai, Richard

2018-04-01

A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equation that arises in mathematical models for the electrostatics of molecules in solvent. The proposed method uses an implicit boundary integral formulation to derive a linear system defined on Cartesian nodes in a narrowband surrounding the closed surface that separates the molecule and the solvent. The needed implicit surface is constructed from the given atomic description of the molecules, by a sequence of standard level set algorithms. A fast multipole method is applied to accelerate the solution of the linear system. A few numerical studies involving some standard test cases are presented and compared to other existing results.

Least Squares Approach to the Alignment of the Generic High Precision Tracking System

NASA Astrophysics Data System (ADS)

de Renstrom, Pawel Brückman; Haywood, Stephen

2006-04-01

A least squares method to solve a generic alignment problem of a high granularity tracking system is presented. The algorithm is based on an analytical linear expansion and allows for multiple nested fits, e.g. imposing a common vertex for groups of particle tracks is of particular interest. We present a consistent and complete recipe to impose constraints on either implicit or explicit parameters. The method has been applied to the full simulation of a subset of the ATLAS silicon tracking system. The ultimate goal is to determine ≈35,000 degrees of freedom (DoF's). We present a limited scale exercise exploring various aspects of the solution.

Higher-order hybrid implicit/explicit FDTD time-stepping

NASA Astrophysics Data System (ADS)

Tierens, W.

2016-12-01

Both partially implicit FDTD methods, and symplectic FDTD methods of high temporal accuracy (3rd or 4th order), are well documented in the literature. In this paper we combine them: we construct a conservative FDTD method which is fourth order accurate in time and is partially implicit. We show that the stability condition for this method depends exclusively on the explicit part, which makes it suitable for use in e.g. modelling wave propagation in plasmas.

A high-order semi-explicit discontinuous Galerkin solver for 3D incompressible flow with application to DNS and LES of turbulent channel flow

NASA Astrophysics Data System (ADS)

Krank, Benjamin; Fehn, Niklas; Wall, Wolfgang A.; Kronbichler, Martin

2017-11-01

We present an efficient discontinuous Galerkin scheme for simulation of the incompressible Navier-Stokes equations including laminar and turbulent flow. We consider a semi-explicit high-order velocity-correction method for time integration as well as nodal equal-order discretizations for velocity and pressure. The non-linear convective term is treated explicitly while a linear system is solved for the pressure Poisson equation and the viscous term. The key feature of our solver is a consistent penalty term reducing the local divergence error in order to overcome recently reported instabilities in spatially under-resolved high-Reynolds-number flows as well as small time steps. This penalty method is similar to the grad-div stabilization widely used in continuous finite elements. We further review and compare our method to several other techniques recently proposed in literature to stabilize the method for such flow configurations. The solver is specifically designed for large-scale computations through matrix-free linear solvers including efficient preconditioning strategies and tensor-product elements, which have allowed us to scale this code up to 34.4 billion degrees of freedom and 147,456 CPU cores. We validate our code and demonstrate optimal convergence rates with laminar flows present in a vortex problem and flow past a cylinder and show applicability of our solver to direct numerical simulation as well as implicit large-eddy simulation of turbulent channel flow at Reτ = 180 as well as 590.

Particle Acceleration and Radiative Losses at Relativistic Shocks

NASA Astrophysics Data System (ADS)

Dempsey, P.; Duffy, P.

A semi-analytic approach to the relativistic transport equation with isotropic diffusion and consistent radiative losses is presented. It is based on the eigenvalue method first introduced in Kirk & Schneider [5]and Heavens & Drury [3]. We demonstrate the pitch-angle dependence of the cut-off in relativistic shocks.

Models of current sintering

NASA Astrophysics Data System (ADS)

Angst, Sebastian; Engelke, Lukas; Winterer, Markus; Wolf, Dietrich E.

2017-06-01

Densification of (semi-)conducting particle agglomerates with the help of an electrical current is much faster and more energy efficient than traditional thermal sintering or powder compression. Therefore, this method becomes more and more common among experimentalists, engineers, and in industry. The mechanisms at work at the particle scale are highly complex because of the mutual feedback between current and pore structure. This paper extends previous modelling approaches in order to study mixtures of particles of two different materials. In addition to the delivery of Joule heat throughout the sample, especially in current bottlenecks, thermoelectric effects must be taken into account. They lead to segregation or spatial correlations in the particle arrangement. Various model extensions are possible and will be discussed.

Tunneling Radiation Characteristic of the Charged Particle from the Reissner Nordström anti de Sitter Black Hole

NASA Astrophysics Data System (ADS)

Chen, De-You; Jiang, Qing-Quan; Yang, Shu-Zheng

2007-12-01

Applying Parikh’s semi-classical quantum tunneling method, the tunneling radiation characteristic of the charged particle from the event horizon of the Reissner Nordström anti de Sitter black hole is researched. The result shows the derived spectrum is not purely thermal one, but is consistent with the underlying unitary theory, which gives a might explanation to the information loss paradox and is the correct amendment to the Hawking radiation.

Three-dimensional boundary layer calculation by a characteristic method

NASA Technical Reports Server (NTRS)

Houdeville, R.

1992-01-01

A numerical method for solving the three-dimensional boundary layer equations for bodies of arbitrary shape is presented. In laminar flows, the application domain extends from incompressible to hypersonic flows with the assumption of chemical equilibrium. For turbulent boundary layers, the application domain is limited by the validity of the mixing length model used. In order to respect the hyperbolic nature of the equations reduced to first order partial derivative terms, the momentum equations are discretized along the local streamlines using of the osculator tangent plane at each node of the body fitted coordinate system. With this original approach, it is possible to overcome the use of the generalized coordinates, and therefore, it is not necessary to impose an extra hypothesis about the regularity of the mesh in which the boundary conditions are given. By doing so, it is possible to limit, and sometimes to suppress, the pre-treatment of the data coming from an inviscid calculation. Although the proposed scheme is only semi-implicit, the method remains numerically very efficient.

Influence of lubrication forces in direct numerical simulations of particle-laden flows

NASA Astrophysics Data System (ADS)

Maitri, Rohit; Peters, Frank; Padding, Johan; Kuipers, Hans

2016-11-01

Accurate numerical representation of particle-laden flows is important for fundamental understanding and optimizing the complex processes such as proppant transport in fracking. Liquid-solid flows are fundamentally different from gas-solid flows because of lower density ratios (solid to fluid) and non-negligible lubrication forces. In this interface resolved model, fluid-solid coupling is achieved by incorporating the no-slip boundary condition implicitly at particle's surfaces by means of an efficient second order ghost-cell immersed boundary method. A fixed Eulerian grid is used for solving the Navier-Stokes equations and the particle-particle interactions are implemented using the soft sphere collision and sub-grid scale lubrication model. Due to the range of influence of lubrication force on a smaller scale than the grid size, it is important to implement the lubrication model accurately. In this work, different implementations of the lubrication model on particle dynamics are studied for various flow conditions. The effect of a particle surface roughness on lubrication force and the particle transport is also investigated. This study is aimed at developing a validated methodology to incorporate lubrication models in direct numerical simulation of particle laden flows. This research is supported from Grant 13CSER014 of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO).

Computational Modeling of the Dielectric Barrier Discharge (DBD) Device for Aeronautical Applications

DTIC Science & Technology

2006-06-01

electron energy equation are solved semi-implicitly in a sequential manner. Each of the governing equations is solved by casting them onto a tridiagonal ...actuator for different device configurations and operating parameters. This will provide the Air Force with a low cost, quick turn around...Atmosphere (ATM) (20:8). Initially, the applied potential difference on the electrodes must be great enough to initiate gas breakdown. While

Numerical approach to optimal portfolio in a power utility regime-switching model

NASA Astrophysics Data System (ADS)

Gyulov, Tihomir B.; Koleva, Miglena N.; Vulkov, Lubin G.

2017-12-01

We consider a system of weakly coupled degenerate semi-linear parabolic equations of optimal portfolio in a regime-switching with power utility function, derived by A.R. Valdez and T. Vargiolu [14]. First, we discuss some basic properties of the solution of this system. Then, we develop and analyze implicit-explicit, flux limited finite difference schemes for the differential problem. Numerical experiments are discussed.

Tight coupling of particle size and composition in atmospheric cloud droplet activation

NASA Astrophysics Data System (ADS)

Topping, D.; McFiggans, G.

2011-09-01

The substantial uncertainty in the indirect effect on radiative forcing in large part arises from the influences of atmospheric aerosol particles on (i) the brightness of clouds, exerting significant shortwave cooling with no appreciable compensation in the longwave, and on (ii) their ability to precipitate, with implications for cloud cover and lifetime. Predicting the ambient conditions at which aerosol particles may become cloud droplets is largely reliant on an equilibrium relationship derived in 1936. However, the theoretical basis of the relationship restricts its application to particles solely comprising involatile compounds and water, whereas a substantial fraction of particles in the real atmosphere will contain potentially thousands of semi-volatile organic compounds in addition to containing semi-volatile inorganic components such as ammonium nitrate. We show that equilibration of atmospherically reasonable concentrations of organic compounds with a growing particle as the ambient humidity increases has larger implications on cloud droplet formation than any other equilibrium compositional dependence, owing to inextricable linkage between the aerosol composition and a particles size under ambient conditions. Whilst previous attempts to account for co-condensation of gases other than water vapour have been restricted to one inorganic condensate, our method demonstrates that accounting for the co-condensation of any number of organic compounds substantially decreases the saturation ratio of water vapour required for droplet activation. This effect is far greater than any other compositional dependence; moreso even than the unphysical effect of surface tension reduction in aqueous organic mixtures, ignoring differences in bulk and surface surfactant concentrations.

Single polymer dynamics in semi-dilute unentangled and entangled solutions: from molecular conformation to normal stress

NASA Astrophysics Data System (ADS)

Schroeder, Charles

Semi-dilute polymer solutions are encountered in a wide array of applications such as advanced 3D printing technologies. Semi-dilute solutions are characterized by large fluctuations in concentration, such that hydrodynamic interactions, excluded volume interactions, and transient chain entanglements may be important, which greatly complicates analytical modeling and theoretical treatment. Despite recent progress, we still lack a complete molecular-level understanding of polymer dynamics in these systems. In this talk, I will discuss three recent projects in my group to study semi-dilute solutions that focus on single molecule studies of linear and ring polymers and a new method to measure normal stresses in microfluidic devices based on the Stokes trap. In the first effort, we use single polymer techniques to investigate the dynamics of semi-dilute unentangled and semi-dilute entangled DNA solutions in extensional flow, including polymer relaxation from high stretch, transient stretching dynamics in step-strain experiments, and steady-state stretching in flow. In the semi-dilute unentangled regime, our results show a power-law scaling of the longest polymer relaxation time that is consistent with scaling arguments based on the double cross-over regime. Upon increasing concentration, we observe a transition region in dynamics to the entangled regime. We also studied the transient and steady-state stretching dynamics in extensional flow using the Stokes trap, and our results show a decrease in transient polymer stretch and a milder coil-to-stretch transition for semi-dilute polymer solutions compared to dilute solutions, which is interpreted in the context of a critical Weissenberg number Wi at the coil-to-stretch transition. Interestingly, we observe a unique set of polymer conformations in semi-dilute unentangled solutions that are highly suggestive of transient topological entanglements in solutions that are nominally unentangled at equilibrium. Taken together, these results suggest that the transient stretching pathways in semi-dilute solution extensional flows are qualitatively different than for both dilute solutions and for semi-dilute solutions in shear flow. In a second effort, we studied the dynamics of ring polymers in background solutions of semi-dilute linear polymers. Interestingly, we observe strikingly large fluctuations in steady-state polymer extension for ring polymers in flow, which occurs due to the interplay between polymer topology and concentration leading to chain `threading' in flow. In a third effort, we developed a new microfluidic method to measure normal stress and extensional viscosity that can be loosely described as passive yet non-linear microrheology. In particular, we incorporated 3-D particle imaging velocimetry (PIV) with the Stokes trap to study extensional flow-induced particle migration in semi-dilute polymer solutions. Experimental results are analyzed using the framework of a second-order-fluid model, which allows for measurement of normal stress and extensional viscosity in semi-dilute polymer solutions, all of which is a first-of-its-kind demonstration. Microfluidic measurements of extensional viscosity are directly compared to the dripping-onto-substrate or DOS method, and good agreement is generally observed. Overall, our work aims to provide a molecular-level understanding of the role of polymer topology and concentration on bulk rheological properties by using single polymer techniques.

Kinetic particle simulation of discharge and wall erosion of a Hall thruster

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

Cho, Shinatora; Komurasaki, Kimiya; Arakawa, Yoshihiro

2013-06-15

The primary lifetime limiting factor of Hall thrusters is the wall erosion caused by the ion induced sputtering, which is predominated by dielectric wall sheath and pre-sheath. However, so far only fluid or hybrid simulation models were applied to wall erosion and lifetime studies in which this non-quasi-neutral and non-equilibrium area cannot be treated directly. Thus, in this study, a 2D fully kinetic particle-in-cell model was presented for Hall thruster discharge and lifetime simulation. Because the fully kinetic lifetime simulation was yet to be achieved so far due to the high computational cost, the semi-implicit field solver and the techniquemore » of mass ratio manipulation was employed to accelerate the computation. However, other artificial manipulations like permittivity or geometry scaling were not used in order to avoid unrecoverable change of physics. Additionally, a new physics recovering model for the mass ratio was presented for better preservation of electron mobility at the weakly magnetically confined plasma region. The validity of the presented model was examined by various parametric studies, and the thrust performance and wall erosion rate of a laboratory model magnetic layer type Hall thruster was modeled for different operation conditions. The simulation results successfully reproduced the measurement results with typically less than 10% discrepancy without tuning any numerical parameters. It is also shown that the computational cost was reduced to the level that the Hall thruster fully kinetic lifetime simulation is feasible.« less

Inexact adaptive Newton methods

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

Bertiger, W.I.; Kelsey, F.J.

1985-02-01

The Inexact Adaptive Newton method (IAN) is a modification of the Adaptive Implicit Method/sup 1/ (AIM) with improved Newton convergence. Both methods simplify the Jacobian at each time step by zeroing coefficients in regions where saturations are changing slowly. The methods differ in how the diagonal block terms are treated. On test problems with up to 3,000 cells, IAN consistently saves approximately 30% of the CPU time when compared to the fully implicit method. AIM shows similar savings on some problems, but takes as much CPU time as fully implicit on other test problems due to poor Newton convergence.

Implicit high-order discontinuous Galerkin method with HWENO type limiters for steady viscous flow simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhen-Hua; Yan, Chao; Yu, Jian

2013-08-01

Two types of implicit algorithms have been improved for high order discontinuous Galerkin (DG) method to solve compressible Navier-Stokes (NS) equations on triangular grids. A block lower-upper symmetric Gauss-Seidel (BLU-SGS) approach is implemented as a nonlinear iterative scheme. And a modified LU-SGS (LLU-SGS) approach is suggested to reduce the memory requirements while retain the good convergence performance of the original LU-SGS approach. Both implicit schemes have the significant advantage that only the diagonal block matrix is stored. The resulting implicit high-order DG methods are applied, in combination with Hermite weighted essentially non-oscillatory (HWENO) limiters, to solve viscous flow problems. Numerical results demonstrate that the present implicit methods are able to achieve significant efficiency improvements over explicit counterparts and for viscous flows with shocks, and the HWENO limiters can be used to achieve the desired essentially non-oscillatory shock transition and the designed high-order accuracy simultaneously.

Influence of Surface Roughness on Polymer Drag Reduction

DTIC Science & Technology

2007-11-30

paint (High Build Semi-Gloss 97-130, Aquapon ) with glass bead grit. The particles were tightly packed producing a sand grain type roughness. Based on the... Aquapon High Build Semi-Gloss Epoxy 97-130) with glass bead grit blown into the epoxy. The particles were tightly packed giving an average roughness height

Simultaneous measurements of jellyfish bell kinematics and flow fields using PTV and PIV

NASA Astrophysics Data System (ADS)

Xu, Nicole; Dabiri, John

2016-11-01

A better understanding of jellyfish swimming can potentially improve the energy efficiency of aquatic vehicles or create biomimetic robots for ocean monitoring. Aurelia aurita is a simple oblate invertebrate composed of a flexible bell and coronal muscle, which contracts to eject water from the subumbrellar volume. Jellyfish locomotion can be studied by obtaining body kinematics or by examining the resulting fluid velocity fields using particle image velocimetry (PIV). Typically, swim kinematics are obtained by semi-manually tracking points of interest (POI) along the bell in video post-processing; simultaneous measurements of kinematics and flows involve using this semi-manual tracking method on PIV videos. However, we show that both the kinematics and flow fields can be directly visualized in 3D space by embedding phosphorescent particles in animals free-swimming in seeded environments. Particle tracking velocimetry (PTV) can then be used to calculate bell kinematics, such as pulse frequency, bell deformation, swim trajectories, and propulsive efficiency. By simultaneously tracking POI within the bell and collecting PIV data, we can further study the jellyfish's natural locomotive control mechanisms in conjunction with flow measurements. NSF GRFP.

Global fully kinetic models of planetary magnetospheres with iPic3D

NASA Astrophysics Data System (ADS)

Gonzalez, D.; Sanna, L.; Amaya, J.; Zitz, A.; Lembege, B.; Markidis, S.; Schriver, D.; Walker, R. J.; Berchem, J.; Peng, I. B.; Travnicek, P. M.; Lapenta, G.

2016-12-01

We report on the latest developments of our approach to model planetary magnetospheres, mini magnetospheres and the Earth's magnetosphere with the fully kinetic, electromagnetic particle in cell code iPic3D. The code treats electrons and multiple species of ions as full kinetic particles. We review: 1) Why a fully kinetic model and in particular why kinetic electrons are needed for capturing some of the most important aspects of the physics processes of planetary magnetospheres. 2) Why the energy conserving implicit method (ECIM) in its newest implementation [1] is the right approach to reach this goal. We consider the different electron scales and study how the new IECIM can be tuned to resolve only the electron scales of interest while averaging over the unresolved scales preserving their contribution to the evolution. 3) How with modern computing planetary magnetospheres, mini magnetosphere and eventually Earth's magnetosphere can be modeled with fully kinetic electrons. The path from petascale to exascale for iPiC3D is outlined based on the DEEP-ER project [2], using dynamic allocation of different processor architectures (Xeon and Xeon Phi) and innovative I/O technologies.Specifically results from models of Mercury are presented and compared with MESSENGER observations and with previous hybrid (fluid electrons and kinetic ions) simulations. The plasma convection around the planets includes the development of hydrodynamic instabilities at the flanks, the presence of the collisionless shocks, the magnetosheath, the magnetopause, reconnection zones, the formation of the plasma sheet and the magnetotail, and the variation of ion/electron plasma flows when crossing these frontiers. Given the full kinetic nature of our approach we focus on detailed particle dynamics and distribution at locations that can be used for comparison with satellite data. [1] Lapenta, G. (2016). Exactly Energy Conserving Implicit Moment Particle in Cell Formulation. arXiv preprint arXiv:1602.06326.[2] www.deep-er.eu

Physics Based Model for Cryogenic Chilldown and Loading. Part I: Algorithm

NASA Technical Reports Server (NTRS)

Luchinsky, Dmitry G.; Smelyanskiy, Vadim N.; Brown, Barbara

2014-01-01

We report the progress in the development of the physics based model for cryogenic chilldown and loading. The chilldown and loading is model as fully separated non-equilibrium two-phase flow of cryogenic fluid thermally coupled to the pipe walls. The solution follow closely nearly-implicit and semi-implicit algorithms developed for autonomous control of thermal-hydraulic systems developed by Idaho National Laboratory. A special attention is paid to the treatment of instabilities. The model is applied to the analysis of chilldown in rapid loading system developed at NASA-Kennedy Space Center. The nontrivial characteristic feature of the analyzed chilldown regime is its active control by dump valves. The numerical predictions are in reasonable agreement with the experimental time traces. The obtained results pave the way to the development of autonomous loading operation on the ground and space.

Controlled method of reducing electrophoretic mobility of various substances

NASA Technical Reports Server (NTRS)

Vanalstine, James M. (Inventor)

1989-01-01

A method of reducing electrophoretic mobility of macromolecules, particles, cells, and the like is provided. The method comprises interacting the particles or cells with a polymer-linked affinity compound composed of: a hydrophilic neutral polymer such as polyethylene glycol, and an affinity component consisting of a hydrophobic compound such as a fatty acid ester, an immunocompound such as an antibody or active fragment thereof or simular macromolecule, or other ligands. The reduction of electrophoretic mobility achieved is directly proportional to the concentration of the polymer-linked affinity compound employed, and the mobility reduction obtainable is up to 100 percent for particular particles and cells. The present invention is advantageous in that analytical electrophoretic separation can not be achieved for macromolecules, particles, and cells whose native surface charge structure had prevented them from being separated by normal electrophoretic means. Depending on the affinity component utilized, separation can be achieved on the basis of specific/irreversible, specific/reversible, semi-specific/reversible, relatively nonspecific/reversible, or relatively nonspecific/irreversible ligand-substance interactions. The present method is also advantageous in that it can be used in a variety of standard laboratory electrophoresis equipment.

Development and Verification of the Charring Ablating Thermal Protection Implicit System Solver

NASA Technical Reports Server (NTRS)

Amar, Adam J.; Calvert, Nathan D.; Kirk, Benjamin S.

2010-01-01

The development and verification of the Charring Ablating Thermal Protection Implicit System Solver is presented. This work concentrates on the derivation and verification of the stationary grid terms in the equations that govern three-dimensional heat and mass transfer for charring thermal protection systems including pyrolysis gas flow through the porous char layer. The governing equations are discretized according to the Galerkin finite element method with first and second order implicit time integrators. The governing equations are fully coupled and are solved in parallel via Newton's method, while the fully implicit linear system is solved with the Generalized Minimal Residual method. Verification results from exact solutions and the Method of Manufactured Solutions are presented to show spatial and temporal orders of accuracy as well as nonlinear convergence rates.

Implicit Runge-Kutta Methods with Explicit Internal Stages

NASA Astrophysics Data System (ADS)

Skvortsov, L. M.

2018-03-01

The main computational costs of implicit Runge-Kutta methods are caused by solving a system of algebraic equations at every step. By introducing explicit stages, it is possible to increase the stage (or pseudo-stage) order of the method, which makes it possible to increase the accuracy and avoid reducing the order in solving stiff problems, without additional costs of solving algebraic equations. The paper presents implicit methods with an explicit first stage and one or two explicit internal stages. The results of solving test problems are compared with similar methods having no explicit internal stages.

Beyond Euler's Method: Implicit Finite Differences in an Introductory ODE Course

ERIC Educational Resources Information Center

Kull, Trent C.

2011-01-01

A typical introductory course in ordinary differential equations (ODEs) exposes students to exact solution methods. However, many differential equations must be approximated with numerical methods. Textbooks commonly include explicit methods such as Euler's and Improved Euler's. Implicit methods are typically introduced in more advanced courses…

Brain Biology Machine Initiative: Developing Innovative Novel Methods to Improve Neuro-Rehabilitation for Amputees and Treatment for Patients at Remote Sites with Acute Brain Injury

DTIC Science & Technology

2010-10-01

bode well for the future. The paper we submitted to the Journal of Neuroscience detailing the TVAG rabies tracer system was accepted with revisions...of brain electrical activity. Stas Kounitsky successfully completed the port of the new vector-additive implicit (VAI) method for the anisotropic ...Alternating Difference 14 Implicit (ADI) for isotropic head models, and the Vector Additive Implicit (VAI) for anisotropic head models. The ADI method

A Coulomb collision algorithm for weighted particle simulations

NASA Technical Reports Server (NTRS)

Miller, Ronald H.; Combi, Michael R.

1994-01-01

A binary Coulomb collision algorithm is developed for weighted particle simulations employing Monte Carlo techniques. Charged particles within a given spatial grid cell are pair-wise scattered, explicitly conserving momentum and implicitly conserving energy. A similar algorithm developed by Takizuka and Abe (1977) conserves momentum and energy provided the particles are unweighted (each particle representing equal fractions of the total particle density). If applied as is to simulations incorporating weighted particles, the plasma temperatures equilibrate to an incorrect temperature, as compared to theory. Using the appropriate pairing statistics, a Coulomb collision algorithm is developed for weighted particles. The algorithm conserves energy and momentum and produces the appropriate relaxation time scales as compared to theoretical predictions. Such an algorithm is necessary for future work studying self-consistent multi-species kinetic transport.

Numerical solution of the Saint-Venant equations by an efficient hybrid finite-volume/finite-difference method

NASA Astrophysics Data System (ADS)

Lai, Wencong; Khan, Abdul A.

2018-04-01

A computationally efficient hybrid finite-volume/finite-difference method is proposed for the numerical solution of Saint-Venant equations in one-dimensional open channel flows. The method adopts a mass-conservative finite volume discretization for the continuity equation and a semi-implicit finite difference discretization for the dynamic-wave momentum equation. The spatial discretization of the convective flux term in the momentum equation employs an upwind scheme and the water-surface gradient term is discretized using three different schemes. The performance of the numerical method is investigated in terms of efficiency and accuracy using various examples, including steady flow over a bump, dam-break flow over wet and dry downstream channels, wetting and drying in a parabolic bowl, and dam-break floods in laboratory physical models. Numerical solutions from the hybrid method are compared with solutions from a finite volume method along with analytic solutions or experimental measurements. Comparisons demonstrates that the hybrid method is efficient, accurate, and robust in modeling various flow scenarios, including subcritical, supercritical, and transcritical flows. In this method, the QUICK scheme for the surface slope discretization is more accurate and less diffusive than the center difference and the weighted average schemes.

“Skin-Core-Skin” Structure of Polymer Crystallization Investigated by Multiscale Simulation

PubMed Central

Ruan, Chunlei

2018-01-01

“Skin-core-skin” structure is a typical crystal morphology in injection products. Previous numerical works have rarely focused on crystal evolution; rather, they have mostly been based on the prediction of temperature distribution or crystallization kinetics. The aim of this work was to achieve the “skin-core-skin” structure and investigate the role of external flow and temperature fields on crystal morphology. Therefore, the multiscale algorithm was extended to the simulation of polymer crystallization in a pipe flow. The multiscale algorithm contains two parts: a collocated finite volume method at the macroscopic level and a morphological Monte Carlo method at the microscopic level. The SIMPLE (semi-implicit method for pressure linked equations) algorithm was used to calculate the polymeric model at the macroscopic level, while the Monte Carlo method with stochastic birth-growth process of spherulites and shish-kebabs was used at the microscopic level. Results show that our algorithm is valid to predict “skin-core-skin” structure, and the initial melt temperature and the maximum velocity of melt at the inlet mainly affects the morphology of shish-kebabs. PMID:29659516

A three dimensional immersed smoothed finite element method (3D IS-FEM) for fluid-structure interaction problems

NASA Astrophysics Data System (ADS)

Zhang, Zhi-Qian; Liu, G. R.; Khoo, Boo Cheong

2013-02-01

A three-dimensional immersed smoothed finite element method (3D IS-FEM) using four-node tetrahedral element is proposed to solve 3D fluid-structure interaction (FSI) problems. The 3D IS-FEM is able to determine accurately the physical deformation of the nonlinear solids placed within the incompressible viscous fluid governed by Navier-Stokes equations. The method employs the semi-implicit characteristic-based split scheme to solve the fluid flows and smoothed finite element methods to calculate the transient dynamics responses of the nonlinear solids based on explicit time integration. To impose the FSI conditions, a novel, effective and sufficiently general technique via simple linear interpolation is presented based on Lagrangian fictitious fluid meshes coinciding with the moving and deforming solid meshes. In the comparisons to the referenced works including experiments, it is clear that the proposed 3D IS-FEM ensures stability of the scheme with the second order spatial convergence property; and the IS-FEM is fairly independent of a wide range of mesh size ratio.

Uncertainty in aerosol hygroscopicity resulting from semi-volatile organic compounds

NASA Astrophysics Data System (ADS)

Goulden, Olivia; Crooks, Matthew; Connolly, Paul

2018-01-01

We present a novel method of exploring the effect of uncertainties in aerosol properties on cloud droplet number using existing cloud droplet activation parameterisations. Aerosol properties of a single involatile particle mode are randomly sampled within an uncertainty range and resulting maximum supersaturations and critical diameters calculated using the cloud droplet activation scheme. Hygroscopicity parameters are subsequently derived and the values of the mean and uncertainty are found to be comparable to experimental observations. A recently proposed cloud droplet activation scheme that includes the effects of co-condensation of semi-volatile organic compounds (SVOCs) onto a single lognormal mode of involatile particles is also considered. In addition to the uncertainties associated with the involatile particles, concentrations, volatility distributions and chemical composition of the SVOCs are randomly sampled and hygroscopicity parameters are derived using the cloud droplet activation scheme. The inclusion of SVOCs is found to have a significant effect on the hygroscopicity and contributes a large uncertainty. For non-volatile particles that are effective cloud condensation nuclei, the co-condensation of SVOCs reduces their actual hygroscopicity by approximately 25 %. A new concept of an effective hygroscopicity parameter is introduced that can computationally efficiently simulate the effect of SVOCs on cloud droplet number concentration without direct modelling of the organic compounds. These effective hygroscopicities can be as much as a factor of 2 higher than those of the non-volatile particles onto which the volatile organic compounds condense.

Multi-scale simulations of space problems with iPIC3D

NASA Astrophysics Data System (ADS)

Lapenta, Giovanni; Bettarini, Lapo; Markidis, Stefano

The implicit Particle-in-Cell method for the computer simulation of space plasma, and its im-plementation in a three-dimensional parallel code, called iPIC3D, are presented. The implicit integration in time of the Vlasov-Maxwell system removes the numerical stability constraints and enables kinetic plasma simulations at magnetohydrodynamics scales. Simulations of mag-netic reconnection in plasma are presented to show the effectiveness of the algorithm. In particular we will show a number of simulations done for large scale 3D systems using the physical mass ratio for Hydrogen. Most notably one simulation treats kinetically a box of tens of Earth radii in each direction and was conducted using about 16000 processors of the Pleiades NASA computer. The work is conducted in collaboration with the MMS-IDS theory team from University of Colorado (M. Goldman, D. Newman and L. Andersson). Reference: Stefano Markidis, Giovanni Lapenta, Rizwan-uddin Multi-scale simulations of plasma with iPIC3D Mathematics and Computers in Simulation, Available online 17 October 2009, http://dx.doi.org/10.1016/j.matcom.2009.08.038

Properties of Semi-dry Flue Gas Desulfurization Ash and Used for Phosphorus Removal

NASA Astrophysics Data System (ADS)

Yu, Y. P.; Fang, Y.; Chai, S. Y.; Zhuang, Z. Z.

2018-05-01

The composition of Semi-dry Flue Gas Desulfurization ash was as follows: CaSO3 · 0.5H2O and Ca(OH)2. Most of the particle size was about 8 µm particles were irregular and small, while the other part was rough and globular. CaSO3 strongly oxidized at about 466°C and Ca(OH)2 decomposed at ∼ 662°C. The maximum amount of phosphorus removal in Semi-dry Flue Gas Desulfurization ash was 79.898 mg/g.

Classical integrable many-body systems disconnected with semi-simple Lie algebras

NASA Astrophysics Data System (ADS)

Inozemtsev, V. I.

2017-05-01

The review of the results in the theory of integrable many-body systems disconnected with semisimple Lie algebras is done. The one-dimensional systems of light Calogero-Sutherland-Moser particles interacting with one particle of infinite mass located at the origin are described in detail. In some cases the exact solutions of the equations of motion are obtained. The general theory of integration of the equations of motion needs the methods of algebraic geometry. The Lax pairs with spectral parameter are constructed for this purpose. The theory still contains many unsolved problems.

Hawking Radiation of the Charged Particles via Tunneling from the ( n+2)-Dimensional Topological Reissner-Nordström-de Sitter Black Hole

NASA Astrophysics Data System (ADS)

Yan, Han

2012-08-01

Extending Parikh-Wilczek's semi-classical tunneling method, we discuss the Hawking radiation of the charged massive particles via tunneling from the cosmological horizon of ( n+2)-dimensional Topological Reissner-Nordström-de Sitter black hole.The result shows that, when energy conservation and electric charge conservation are taken into account, the derived spectrum deviates from the pure thermal one, but satisfies the unitary theory, which provides a probability for the solution of the information loss paradox.

A space-time lower-upper symmetric Gauss-Seidel scheme for the time-spectral method

NASA Astrophysics Data System (ADS)

Zhan, Lei; Xiong, Juntao; Liu, Feng

2016-05-01

The time-spectral method (TSM) offers the advantage of increased order of accuracy compared to methods using finite-difference in time for periodic unsteady flow problems. Explicit Runge-Kutta pseudo-time marching and implicit schemes have been developed to solve iteratively the space-time coupled nonlinear equations resulting from TSM. Convergence of the explicit schemes is slow because of the stringent time-step limit. Many implicit methods have been developed for TSM. Their computational efficiency is, however, still limited in practice because of delayed implicit temporal coupling, multiple iterative loops, costly matrix operations, or lack of strong diagonal dominance of the implicit operator matrix. To overcome these shortcomings, an efficient space-time lower-upper symmetric Gauss-Seidel (ST-LU-SGS) implicit scheme with multigrid acceleration is presented. In this scheme, the implicit temporal coupling term is split as one additional dimension of space in the LU-SGS sweeps. To improve numerical stability for periodic flows with high frequency, a modification to the ST-LU-SGS scheme is proposed. Numerical results show that fast convergence is achieved using large or even infinite Courant-Friedrichs-Lewy (CFL) numbers for unsteady flow problems with moderately high frequency and with the use of moderately high numbers of time intervals. The ST-LU-SGS implicit scheme is also found to work well in calculating periodic flow problems where the frequency is not known a priori and needed to be determined by using a combined Fourier analysis and gradient-based search algorithm.

Quality-Related Monitoring and Grading of Granulated Products by Weibull-Distribution Modeling of Visual Images with Semi-Supervised Learning.

PubMed

Liu, Jinping; Tang, Zhaohui; Xu, Pengfei; Liu, Wenzhong; Zhang, Jin; Zhu, Jianyong

2016-06-29

The topic of online product quality inspection (OPQI) with smart visual sensors is attracting increasing interest in both the academic and industrial communities on account of the natural connection between the visual appearance of products with their underlying qualities. Visual images captured from granulated products (GPs), e.g., cereal products, fabric textiles, are comprised of a large number of independent particles or stochastically stacking locally homogeneous fragments, whose analysis and understanding remains challenging. A method of image statistical modeling-based OPQI for GP quality grading and monitoring by a Weibull distribution(WD) model with a semi-supervised learning classifier is presented. WD-model parameters (WD-MPs) of GP images' spatial structures, obtained with omnidirectional Gaussian derivative filtering (OGDF), which were demonstrated theoretically to obey a specific WD model of integral form, were extracted as the visual features. Then, a co-training-style semi-supervised classifier algorithm, named COSC-Boosting, was exploited for semi-supervised GP quality grading, by integrating two independent classifiers with complementary nature in the face of scarce labeled samples. Effectiveness of the proposed OPQI method was verified and compared in the field of automated rice quality grading with commonly-used methods and showed superior performance, which lays a foundation for the quality control of GP on assembly lines.

Implicit unified gas-kinetic scheme for steady state solutions in all flow regimes

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2016-06-01

This paper presents an implicit unified gas-kinetic scheme (UGKS) for non-equilibrium steady state flow computation. The UGKS is a direct modeling method for flow simulation in all regimes with the updates of both macroscopic flow variables and microscopic gas distribution function. By solving the macroscopic equations implicitly, a predicted equilibrium state can be obtained first through iterations. With the newly predicted equilibrium state, the evolution equation of the gas distribution function and the corresponding collision term can be discretized in a fully implicit way for fast convergence through iterations as well. The lower-upper symmetric Gauss-Seidel (LU-SGS) factorization method is implemented to solve both macroscopic and microscopic equations, which improves the efficiency of the scheme. Since the UGKS is a direct modeling method and its physical solution depends on the mesh resolution and the local time step, a physical time step needs to be fixed before using an implicit iterative technique with a pseudo-time marching step. Therefore, the physical time step in the current implicit scheme is determined by the same way as that in the explicit UGKS for capturing the physical solution in all flow regimes, but the convergence to a steady state speeds up through the adoption of a numerical time step with large CFL number. Many numerical test cases in different flow regimes from low speed to hypersonic ones, such as the Couette flow, cavity flow, and the flow passing over a cylinder, are computed to validate the current implicit method. The overall efficiency of the implicit UGKS can be improved by one or two orders of magnitude in comparison with the explicit one.

Development of Implicit Methods in CFD NASA Ames Research Center 1970's - 1980's

NASA Technical Reports Server (NTRS)

Pulliam, Thomas H.

2010-01-01

The focus here is on the early development (mid 1970's-1980's) at NASA Ames Research Center of implicit methods in Computational Fluid Dynamics (CFD). A class of implicit finite difference schemes of the Beam and Warming approximate factorization type will be addressed. The emphasis will be on the Euler equations. A review of material pertinent to the solution of the Euler equations within the framework of implicit methods will be presented. The eigensystem of the equations will be used extensively in developing a framework for various methods applied to the Euler equations. The development and analysis of various aspects of this class of schemes will be given along with the motivations behind many of the choices. Various acceleration and efficiency modifications such as matrix reduction, diagonalization and flux split schemes will be presented.

Multigrid Strategies for Viscous Flow Solvers on Anisotropic Unstructured Meshes

NASA Technical Reports Server (NTRS)

Movriplis, Dimitri J.

1998-01-01

Unstructured multigrid techniques for relieving the stiffness associated with high-Reynolds number viscous flow simulations on extremely stretched grids are investigated. One approach consists of employing a semi-coarsening or directional-coarsening technique, based on the directions of strong coupling within the mesh, in order to construct more optimal coarse grid levels. An alternate approach is developed which employs directional implicit smoothing with regular fully coarsened multigrid levels. The directional implicit smoothing is obtained by constructing implicit lines in the unstructured mesh based on the directions of strong coupling. Both approaches yield large increases in convergence rates over the traditional explicit full-coarsening multigrid algorithm. However, maximum benefits are achieved by combining the two approaches in a coupled manner into a single algorithm. An order of magnitude increase in convergence rate over the traditional explicit full-coarsening algorithm is demonstrated, and convergence rates for high-Reynolds number viscous flows which are independent of the grid aspect ratio are obtained. Further acceleration is provided by incorporating low-Mach-number preconditioning techniques, and a Newton-GMRES strategy which employs the multigrid scheme as a preconditioner. The compounding effects of these various techniques on speed of convergence is documented through several example test cases.

Efficiency and flexibility using implicit methods within atmosphere dycores

NASA Astrophysics Data System (ADS)

Evans, K. J.; Archibald, R.; Norman, M. R.; Gardner, D. J.; Woodward, C. S.; Worley, P.; Taylor, M.

2016-12-01

A suite of explicit and implicit methods are evaluated for a range of configurations of the shallow water dynamical core within the spectral-element Community Atmosphere Model (CAM-SE) to explore their relative computational performance. The configurations are designed to explore the attributes of each method under different but relevant model usage scenarios including varied spectral order within an element, static regional refinement, and scaling to large problem sizes. The limitations and benefits of using explicit versus implicit, with different discretizations and parameters, are discussed in light of trade-offs such as MPI communication, memory, and inherent efficiency bottlenecks. For the regionally refined shallow water configurations, the implicit BDF2 method is about the same efficiency as an explicit Runge-Kutta method, without including a preconditioner. Performance of the implicit methods with the residual function executed on a GPU is also presented; there is speed up for the residual relative to a CPU, but overwhelming transfer costs motivate moving more of the solver to the device. Given the performance behavior of implicit methods within the shallow water dynamical core, the recommendation for future work using implicit solvers is conditional based on scale separation and the stiffness of the problem. The strong growth of linear iterations with increasing resolution or time step size is the main bottleneck to computational efficiency. Within the hydrostatic dynamical core, of CAM-SE, we present results utilizing approximate block factorization preconditioners implemented using the Trilinos library of solvers. They reduce the cost of linear system solves and improve parallel scalability. We provide a summary of the remaining efficiency considerations within the preconditioner and utilization of the GPU, as well as a discussion about the benefits of a time stepping method that provides converged and stable solutions for a much wider range of time step sizes. As more complex model components, for example new physics and aerosols, are connected in the model, having flexibility in the time stepping will enable more options for combining and resolving multiple scales of behavior.

A FORTRAN program for calculating nonlinear seismic ground response

USGS Publications Warehouse

Joyner, William B.

1977-01-01

The program described here was designed for calculating the nonlinear seismic response of a system of horizontal soil layers underlain by a semi-infinite elastic medium representing bedrock. Excitation is a vertically incident shear wave in the underlying medium. The nonlinear hysteretic behavior of the soil is represented by a model consisting of simple linear springs and Coulomb friction elements arranged as shown. A boundary condition is used which takes account of finite rigidity in the elastic substratum. The computations are performed by an explicit finite-difference scheme that proceeds step by step in space and time. A brief program description is provided here with instructions for preparing the input and a source listing. A more detailed discussion of the method is presented elsewhere as is the description of a different program employing implicit integration.

The effect of implicitly incentivized faking on explicit and implicit measures of doping attitude: when athletes want to pretend an even more negative attitude to doping.

PubMed

Wolff, Wanja; Schindler, Sebastian; Brand, Ralf

2015-01-01

The Implicit Association Test (IAT) aims to measure participants' automatic evaluation of an attitude object and is useful especially for the measurement of attitudes related to socially sensitive subjects, e.g. doping in sports. Several studies indicate that IAT scores can be faked on instruction. But fully or semi-instructed research scenarios might not properly reflect what happens in more realistic situations, when participants secretly decide to try faking the test. The present study is the first to investigate IAT faking when there is only an implicit incentive to do so. Sixty-five athletes (22.83 years ± 2.45; 25 women) were randomly assigned to an incentive-to-fake condition or a control condition. Participants in the incentive-to-fake condition were manipulated to believe that athletes with lenient doping attitudes would be referred to a tedious 45-minute anti-doping program. Attitudes were measured with the pictorial doping brief IAT (BIAT) and with the Performance Enhancement Attitude Scale (PEAS). A one-way MANOVA revealed significant differences between conditions after the manipulation in PEAS scores, but not in the doping BIAT. In the light of our hypothesis this suggests that participants successfully faked an exceedingly negative attitude to doping when completing the PEAS, but were unsuccessful in doing so on the reaction time-based test. This study assessed BIAT faking in a setting that aimed to resemble a situation in which participants want to hide their attempts to cheat. The two measures of attitude were differentially affected by the implicit incentive. Our findings provide evidence that the pictorial doping BIAT is relatively robust against spontaneous and naïve faking attempts. (B)IATs might be less prone to faking than implied by previous studies.

The Power of Implicit Social Relation in Rating Prediction of Social Recommender Systems

PubMed Central

Reafee, Waleed; Salim, Naomie; Khan, Atif

2016-01-01

The explosive growth of social networks in recent times has presented a powerful source of information to be utilized as an extra source for assisting in the social recommendation problems. The social recommendation methods that are based on probabilistic matrix factorization improved the recommendation accuracy and partly solved the cold-start and data sparsity problems. However, these methods only exploited the explicit social relations and almost completely ignored the implicit social relations. In this article, we firstly propose an algorithm to extract the implicit relation in the undirected graphs of social networks by exploiting the link prediction techniques. Furthermore, we propose a new probabilistic matrix factorization method to alleviate the data sparsity problem through incorporating explicit friendship and implicit friendship. We evaluate our proposed approach on two real datasets, Last.Fm and Douban. The experimental results show that our method performs much better than the state-of-the-art approaches, which indicates the importance of incorporating implicit social relations in the recommendation process to address the poor prediction accuracy. PMID:27152663

STATUS OF SEMI-CONTINUOUS MONITORING INSTRUMENTATION FOR GAS AND WATER SOLUBLE PARTICLE COMPONENTS NEEDED FOR DIAGNOSTIC TESTING OF AMBIENT AIR QUALITY SIMULATION MODELS

EPA Science Inventory

This status report documents the effort by the National Exposure Research Laboratory (NERL), Office of Research and Development (ORD) of the U.S. Environmental Protection Agency (U.S. EPA) to provide methods of measurement, including calibration procedures, that meet the requir...

Orbital evolution of some Centaurs

NASA Astrophysics Data System (ADS)

Kovalenko, Nataliya; Babenko, Yuri; Churyumov, Klim

2002-11-01

In this work we investigated the dynamical evolution of Centaurs objects 2060 (Chiron), 5145 (Pholus), 7066 (Nessus), 8405 (Asbolus), 10199 (Chariklo), 10370 (Hylonome), and Scattered-Disk object 15874. We have carried out orbital integration of test particles with initial orbits similar to those of these objects. Calculations were produced for +/-600kyr-10Myr starting at epoch and using the implicit single sequence Everhart methods. 12 variational orbits for each of selected Centaurs also have been numerically integrated for +/-200 kyr toward the past and the future. The most probable paths were traced up to +/-1 Myr. The character of orbital elements changes and peculiarities of close approaches to giant planets are discussed.

Numerical study for forced MHD convection heat transfer of a nanofluid in a square cavity with a cylinder of constant heat flux

NASA Astrophysics Data System (ADS)

Hassanpour, Amin; Ranjbar, A. A.; Sheikholeslami, M.

2018-02-01

In this research, flow and forced convection heat transfer of a water-copper nanofluid in the presence of magnetic field is studied. The walls of the square ventilation cavity are insulated. The dominating equations are solved by implementing the finite-volume method (FVM) using the Semi-Implicit Method for Pressure-Linked Equations (SIMPLE) algorithm. The effects of Hartmann number, nanoparticles volume fraction and Reynolds number on the flow and heat transfer characteristics were examined. The results demonstrate that increasing Reynolds and Hartmann numbers lead to increase the average Nusselt number. By evaluating the geometrical parameters, it was found that the size and number of vortices in the flow field decrease by increasing the inlet width. Besides, the increase of the average Nusselt number occurs with the increase of the inlet width. Moreover, it has been observed that the effect of the Hartmann number is more pronounced for higher Reynolds numbers.

Socializing Identity Through Practice: A Mixed Methods Approach to Family Medicine Resident Perspectives on Uncertainty.

PubMed

Ledford, Christy J W; Cafferty, Lauren A; Seehusen, Dean A

2015-01-01

Uncertainty is a central theme in the practice of medicine and particularly primary care. This study explored how family medicine resident physicians react to uncertainty in their practice. This study incorporated a two-phase mixed methods approach, including semi-structured personal interviews (n=21) and longitudinal self-report surveys (n=21) with family medicine residents. Qualitative analysis showed that though residents described uncertainty as an implicit part of their identity, they still developed tactics to minimize or manage uncertainty in their practice. Residents described increasing comfort with uncertainty the longer they practiced and anticipated that growth continuing throughout their careers. Quantitative surveys showed that reactions to uncertainty were more positive over time; however, the difference was not statistically significant. Qualitative and quantitative results show that as family medicine residents practice medicine their perception of uncertainty changes. To reduce uncertainty, residents use relational information-seeking strategies. From a broader view of practice, residents describe uncertainty neutrally, asserting that uncertainty is simply part of the practice of family medicine.

Track-structure simulations for charged particles.

PubMed

Dingfelder, Michael

2012-11-01

Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.

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

Cleveland, Mathew Allen; Wollaber, Allan Benton

Here in this work we develop a set of nonlinear correction equations to enforce a consistent time-implicit emission temperature for the original semi-implicit IMC equations. We present two possible forms of correction equations: one results in a set of non-linear, zero-dimensional, non-negative, explicit correction equations, and the other results in a non-linear, non-negative, Boltzman transport correction equation. The zero-dimensional correction equations adheres to the maximum principle for the material temperature, regardless of frequency-dependence, but does not prevent maximum principle violation in the photon intensity, eventually leading to material overheating. The Boltzman transport correction guarantees adherence to the maximum principle formore » frequency-independent simulations, at the cost of evaluating a reduced source non-linear Boltzman equation. Finally, we present numerical evidence suggesting that the Boltzman transport correction, in its current form, significantly improves time step limitations but does not guarantee adherence to the maximum principle for frequency-dependent simulations.« less

Controlled endolysosomal release of agents by pH-responsive polymer blend particles

PubMed Central

Zhan, Xi; Tran, Kenny K.; Wang, Liguo; Shen, Hong

2015-01-01

Purpose A key step of delivering extracellular agents to its intracellular target is to escape from endosomal/lysosomal compartments, while minimizing the release of digestive enzymes that may compromise cellular functions. In this study, we examined the intracellular distribution of both fluorecent cargoes and enzymes by a particle delivery platform made from the controlled blending of poly (lactic-co-glycolic acid) (PLGA) and a random pH-sensitive copolymer. Methods We utilized both microscopic and biochemical methods to semi-quantitatively assess how the composition of blend particles affects the level of endosomal escape of cargos of various sizes and enzymes into the cytosolic space. Results We demonstrated that these polymeric particles enabled the controlled delivery of cargos into the cytosolic space that was more dependent on the cargo size and less on the composition of blend particles. Blend particles did not induce the rupture of endosomal/lysosomal compartments and released less than 20% of endosomal/lysosomal enzymes. Conclusions This study provides insight into understanding the efficacy and safety of a delivery system for intracellular delivery of biologics and drugs. Blend particles offer a potential platform to target intracellular compartments while potentially minimizing cellular toxicity. PMID:25592550

Recent advances in nonlinear implicit, electrostatic particle-in-cell (PIC) algorithms

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacón, Luis; Barnes, Daniel

2012-10-01

An implicit 1D electrostatic PIC algorithmfootnotetextChen, Chac'on, Barnes, J. Comput. Phys. 230 (2011) has been developed that satisfies exact energy and charge conservation. The algorithm employs a kinetic-enslaved Jacobian-free Newton-Krylov methodfootnotetextIbid. that ensures nonlinear convergence while taking timesteps comparable to the dynamical timescale of interest. Here we present two main improvements of the algorithm. The first is the formulation of a preconditioner based on linearized fluid equations, which are closed using available particle information. The computational benefit is that solving the fluid system is much cheaper than the kinetic one. The effectiveness of the preconditioner in accelerating nonlinear iterations on challenging problems will be demonstrated. A second improvement is the generalization of Ref. 1 to curvilinear meshes,footnotetextChac'on, Chen, Barnes, J. Comput. Phys. submitted (2012) with a hybrid particle update of positions and velocities in logical and physical space respectively.footnotetextSwift, J. Comp. Phys., 126 (1996) The curvilinear algorithm remains exactly charge and energy-conserving, and can be extended to multiple dimensions. We demonstrate the accuracy and efficiency of the algorithm with a 1D ion-acoustic shock wave simulation.

Semi-counterfactual cryptography

NASA Astrophysics Data System (ADS)

Akshata Shenoy, H.; Srikanth, R.; Srinivas, T.

2013-09-01

In counterfactual quantum key distribution (QKD), two remote parties can securely share random polarization-encoded bits through the blocking rather than the transmission of particles. We propose a semi-counterfactual QKD, i.e., one where the secret bit is shared, and also encoded, based on the blocking or non-blocking of a particle. The scheme is thus semi-counterfactual and not based on polarization encoding. As with other counterfactual schemes and the Goldenberg-Vaidman protocol, but unlike BB84, the encoding states are orthogonal and security arises ultimately from single-particle non-locality. Unlike any of them, however, the secret bit generated is maximally indeterminate until the joint action of Alice and Bob. We prove the general security of the protocol, and study the most general photon-number-preserving incoherent attack in detail.

Global distribution of secondary organic aerosol particle phase state

NASA Astrophysics Data System (ADS)

Shiraiwa, M.; Li, Y., Sr.; Tsimpidi, A.; Karydis, V.; Berkemeier, T.; Pandis, S. N.; Lelieveld, J.; Koop, T.; Poeschl, U.

2016-12-01

Secondary organic aerosols (SOA) account for a large fraction of submicron particles in the atmosphere and play a key role in aerosol effects on climate, air quality and public health. The formation and aging of SOA proceed through multiple steps of chemical reaction and mass transport in the gas and particle phases, which is challenging for the interpretation of field measurements and laboratory experiments as well as accurate representation of SOA evolution in atmospheric aerosol models. SOA particles can adopt liquid, semi-solid and amorphous solid (glassy) phase states depending on chemical composition, relative humidity and temperature. The particle phase state is crucial for various atmospheric gas-particle interactions, including SOA formation, heterogeneous and multiphase reactions and ice nucleation. We found that organic compounds with a wide variety of functional groups fall into molecular corridors, characterized by a tight inverse correlation between molar mass and volatility. Based on the concept of molecular corridors, we develop a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, which is a key property for determination of particle phase state. We use the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the atmospheric SOA phase state. For the planetary boundary layer, global simulations indicate that SOA is mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes, and solid over dry lands. We find that in the middle and upper troposphere (>500 hPa) SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants, and organic molecules could kinetically limit gas-particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded within SOA.

The effect of organic aerosol material on aerosol reactivity towards ozone

NASA Astrophysics Data System (ADS)

Batenburg, Anneke; Gaston, Cassandra; Thornton, Joel; Virtanen, Annele

2015-04-01

After aerosol particles are formed or emitted into the atmosphere, heterogeneous reactions with gaseous oxidants cause them to 'age'. Aging can change aerosol properties, such as the hygroscopicity, which is an important parameter in how the particles scatter radiation and form clouds. Conversely, heterogeneous reactions on aerosol particles play a significant role in the cycles of various atmospheric trace gases. Organic compounds, a large part of the total global aerosol matter, can exist in liquid or amorphous (semi)solid physical phases. Different groups have shown that reactions with ozone (O3) can be limited by bulk diffusion in organic aerosol, particularly in viscous, (semi)solid materials, and that organic coatings alter the surface interactions between gas and aerosol particles. We aim to better understand and quantify how the viscosity and phase of organic aerosol matter affect gas-particle interactions. We have chosen the reaction of O3 with particles composed of a potassium iodide (KI) core and a variable organic coating as a model system. The reaction is studied in an aerosol flow reactor that consists of a laminar flow tube and a movable, axial injector for the injection of O3. The aerosol-containing air is inserted at the tube's top. The interaction length (and therefore time), between the particles and the O3 can be varied by moving the injector. Alternatively, the production of aerosol particles can be modulated. The remaining O3 concentration is monitored from the bottom of the tube and particle concentrations are measured simultaneously, which allows us to calculate the reactive uptake coefficient γ. We performed exploratory experiments with internally mixed KI and polyethylene glycol (PEG) particles at the University of Washington (UW) in a setup with a residence time around 50 s. Aerosol particles were generated in an atomizer from solutions with varying concentrations of KI and PEG and inserted into the flow tube after they were diluted and humidified and excess flow was ventilated. It proved necessary to separate the particles before the O3 monitor to prevent interference with the optical O3 detection method. Unfortunately, large O3 losses occurred on the used filter, which limited the accuracy of the γ-determinations. Nevertheless, it was found that already a small amount of added PEG considerably reduced the observed γ. Other aerosol separation methods are currently being investigated for the follow-up experiments in Kuopio.

Semi-flexible polymer engendered aggregation/dispersion of fullerene (C60) nano-particles: An atomistic investigation

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Pattanayek, Sudip K.

2018-06-01

Semi flexible polymer chain has been modeled by choosing various values of persistent length (stiffness). As the polymer chain stiffness increases, the shape of polymer chain changes from globule to extended cigar to toroid like structure during cooling from a high temperature. The aggregation of fullerene nano-particles is found to depend on the morphology of polymer chain. To maximize, the number of polymer bead-nanoparticle contacts, all nano-particle have positioned inside the polymer globule. To minimize, the energy penalty, due to bending of the polymer chain, all nano-particle have positioned on the surface of the polymer's cigar and toroid morphology.

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

Qin, Hong; Liu, Jian; Xiao, Jianyuan

Particle-in-cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the Vlasov-Maxwell system by discretising its canonical Poisson bracket. A fast local algorithm to solve the symplectic implicit time advance is discovered without root searching or global matrix inversion, enabling applications of the proposed method to very large-scale plasma simulations with many, e.g. 10(9), degrees of freedom. The long-term accuracy and fidelity of the algorithm enables us to numerically confirm Mouhot and Villani's theory and conjecture on nonlinearmore » Landau damping over several orders of magnitude using the PIC method, and to calculate the nonlinear evolution of the reflectivity during the mode conversion process from extraordinary waves to Bernstein waves.« less

One-dimensional analysis of supersonic two-stage HVOF process

NASA Astrophysics Data System (ADS)

Katanoda, Hiroshi; Hagi, Junichi; Fukuhara, Minoru

2009-12-01

The one-dimensional calculation of the gas/particle flows of a supersonic two-stage high-velocity oxy-fuel (HVOF) thermal spray process was performed. The internal gas flow was solved by numerically integrating the equations of the quasi-one-dimensional flow including the effects of pipe friction and heat transfer. As for the supersonic jet flow, semi-empirical equations were used to obtain the gas velocity and temperature along the center line. The velocity and temperature of the particle were obtained by an one-way coupling method. The material of the spray particle selected in this study is ultra high molecular weight polyethylene (UHMWPE). The temperature distributions in the spherical UHMWPE particles of 50 and 150µm accelerated and heated by the supersonic gas flow was clarified.

A global multilevel atmospheric model using a vector semi-Lagrangian finite-difference scheme. I - Adiabatic formulation

NASA Technical Reports Server (NTRS)

Bates, J. R.; Moorthi, S.; Higgins, R. W.

1993-01-01

An adiabatic global multilevel primitive equation model using a two time-level, semi-Lagrangian semi-implicit finite-difference integration scheme is presented. A Lorenz grid is used for vertical discretization and a C grid for the horizontal discretization. The momentum equation is discretized in vector form, thus avoiding problems near the poles. The 3D model equations are reduced by a linear transformation to a set of 2D elliptic equations, whose solution is found by means of an efficient direct solver. The model (with minimal physics) is integrated for 10 days starting from an initialized state derived from real data. A resolution of 16 levels in the vertical is used, with various horizontal resolutions. The model is found to be stable and efficient, and to give realistic output fields. Integrations with time steps of 10 min, 30 min, and 1 h are compared, and the differences are found to be acceptable.

Semi-Continuous Measurements of Aerosol Chemical Composition During the Summer 2002 Yosemite National Park Special Study

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

Collette, J; Lee, T; Heath, J

2003-02-16

Semi-continuous measurements of fine particle composition were made over a period of several weeks in summer 2002 in Yosemite National Park, California. These included measurement of aerosol ionic composition (by PILS- Particle-Into-Liquid System) and aerosol carbon (by dual wavelength aethalometer and an R&P particulate carbon monitor). The data reveal that aerosol composition at the site is highly :variable in time, with a strong diurnal cycle. Interestingly, however, different diurnal cycles were sometimes observed for different chemical constituents of the particles. Organic carbon was observed to dominate fine particle mass, with some periods apparently associated with influx of smoke from wildfiresmore » in the western U.S. Measurements of fine particle carbon isotopes revealed the fraction of carbon from biogenic sources to range from approximately 73 to 95%. The ionic fraction of the aerosol was usually dominated by ammoniated sulfate. During most periods, PM{sub 2.5} nitrate was found primarily in sea salt particles from which chloride had been displaced. Strong variations in the extent of ammonia neutralization of sulfate were also observed. The ability to observe rapid changes in aerosol composition using these semi-continuous aerosol composition measurements is helpful for understanding the dynamic chemical composition of fine particles responsible for regional haze.« less

Implicit methods for the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Yoon, S.; Kwak, D.

1990-01-01

Numerical solutions of the Navier-Stokes equations using explicit schemes can be obtained at the expense of efficiency. Conventional implicit methods which often achieve fast convergence rates suffer high cost per iteration. A new implicit scheme based on lower-upper factorization and symmetric Gauss-Seidel relaxation offers very low cost per iteration as well as fast convergence. High efficiency is achieved by accomplishing the complete vectorizability of the algorithm on oblique planes of sweep in three dimensions.

Implicit bias in healthcare professionals: a systematic review.

PubMed

FitzGerald, Chloë; Hurst, Samia

2017-03-01

Implicit biases involve associations outside conscious awareness that lead to a negative evaluation of a person on the basis of irrelevant characteristics such as race or gender. This review examines the evidence that healthcare professionals display implicit biases towards patients. PubMed, PsychINFO, PsychARTICLE and CINAHL were searched for peer-reviewed articles published between 1st March 2003 and 31st March 2013. Two reviewers assessed the eligibility of the identified papers based on precise content and quality criteria. The references of eligible papers were examined to identify further eligible studies. Forty two articles were identified as eligible. Seventeen used an implicit measure (Implicit Association Test in fifteen and subliminal priming in two), to test the biases of healthcare professionals. Twenty five articles employed a between-subjects design, using vignettes to examine the influence of patient characteristics on healthcare professionals' attitudes, diagnoses, and treatment decisions. The second method was included although it does not isolate implicit attitudes because it is recognised by psychologists who specialise in implicit cognition as a way of detecting the possible presence of implicit bias. Twenty seven studies examined racial/ethnic biases; ten other biases were investigated, including gender, age and weight. Thirty five articles found evidence of implicit bias in healthcare professionals; all the studies that investigated correlations found a significant positive relationship between level of implicit bias and lower quality of care. The evidence indicates that healthcare professionals exhibit the same levels of implicit bias as the wider population. The interactions between multiple patient characteristics and between healthcare professional and patient characteristics reveal the complexity of the phenomenon of implicit bias and its influence on clinician-patient interaction. The most convincing studies from our review are those that combine the IAT and a method measuring the quality of treatment in the actual world. Correlational evidence indicates that biases are likely to influence diagnosis and treatment decisions and levels of care in some circumstances and need to be further investigated. Our review also indicates that there may sometimes be a gap between the norm of impartiality and the extent to which it is embraced by healthcare professionals for some of the tested characteristics. Our findings highlight the need for the healthcare profession to address the role of implicit biases in disparities in healthcare. More research in actual care settings and a greater homogeneity in methods employed to test implicit biases in healthcare is needed.

Formulation and Implementation of Nonlinear Integral Equations to Model Neural Dynamics Within the Vertebrate Retina.

PubMed

Eshraghian, Jason K; Baek, Seungbum; Kim, Jun-Ho; Iannella, Nicolangelo; Cho, Kyoungrok; Goo, Yong Sook; Iu, Herbert H C; Kang, Sung-Mo; Eshraghian, Kamran

2018-02-13

Existing computational models of the retina often compromise between the biophysical accuracy and a hardware-adaptable methodology of implementation. When compared to the current modes of vision restoration, algorithmic models often contain a greater correlation between stimuli and the affected neural network, but lack physical hardware practicality. Thus, if the present processing methods are adapted to complement very-large-scale circuit design techniques, it is anticipated that it will engender a more feasible approach to the physical construction of the artificial retina. The computational model presented in this research serves to provide a fast and accurate predictive model of the retina, a deeper understanding of neural responses to visual stimulation, and an architecture that can realistically be transformed into a hardware device. Traditionally, implicit (or semi-implicit) ordinary differential equations (OES) have been used for optimal speed and accuracy. We present a novel approach that requires the effective integration of different dynamical time scales within a unified framework of neural responses, where the rod, cone, amacrine, bipolar, and ganglion cells correspond to the implemented pathways. Furthermore, we show that adopting numerical integration can both accelerate retinal pathway simulations by more than 50% when compared with traditional ODE solvers in some cases, and prove to be a more realizable solution for the hardware implementation of predictive retinal models.

Implicit social cognition: From measures to mechanisms

PubMed Central

Nosek, Brian A.; Hawkins, Carlee Beth; Frazier, Rebecca S.

2011-01-01

Most of human cognition occurs outside of conscious awareness or conscious control. Some of these implicit processes influence social perception, judgment and action. The last fifteen years of research in implicit social cognition can be characterized as the Age of Measurement because of a proliferation of measurement methods and research evidence demonstrating their practical value for predicting human behavior. Implicit measures assess constructs that are distinct, but related, to self-report assessments, and predict variation in behavior that is not accounted for by those explicit measures. The present state of knowledge provides a foundation for the next age of implicit social cognition – clarification of the mechanisms underlying implicit measurement and how the measured constructs influence behavior. PMID:21376657

Three-dimensional implicit lambda methods

NASA Technical Reports Server (NTRS)

Napolitano, M.; Dadone, A.

1983-01-01

This paper derives the three dimensional lambda-formulation equations for a general orthogonal curvilinear coordinate system and provides various block-explicit and block-implicit methods for solving them, numerically. Three model problems, characterized by subsonic, supersonic and transonic flow conditions, are used to assess the reliability and compare the efficiency of the proposed methods.

Boundary conditions for the solution of compressible Navier-Stokes equations by an implicit factored method

NASA Technical Reports Server (NTRS)

Shih, T. I.-P.; Smith, G. E.; Springer, G. S.; Rimon, Y.

1983-01-01

A method is presented for formulating the boundary conditions in implicit finite-difference form needed for obtaining solutions to the compressible Navier-Stokes equations by the Beam and Warming implicit factored method. The usefulness of the method was demonstrated (a) by establishing the boundary conditions applicable to the analysis of the flow inside an axisymmetric piston-cylinder configuration and (b) by calculating velocities and mass fractions inside the cylinder for different geometries and different operating conditions. Stability, selection of time step and grid sizes, and computer time requirements are discussed in reference to the piston-cylinder problem analyzed.

Implicit Associations with Popularity in Early Adolescence: An Approach-Avoidance Analysis

ERIC Educational Resources Information Center

Lansu, Tessa A. M.; Cillessen, Antonius H. N.; Karremans, Johan C.

2012-01-01

This study examined 241 early adolescents' implicit and explicit associations with popularity. The peer status and gender of both the targets and the perceivers were considered. Explicit associations with popularity were assessed with sociometric methods. Implicit associations with popularity were assessed with an approach-avoidance task (AAT).…

Semi-automated segmentation of neuroblastoma nuclei using the gradient energy tensor: a user driven approach

NASA Astrophysics Data System (ADS)

Kromp, Florian; Taschner-Mandl, Sabine; Schwarz, Magdalena; Blaha, Johanna; Weiss, Tamara; Ambros, Peter F.; Reiter, Michael

2015-02-01

We propose a user-driven method for the segmentation of neuroblastoma nuclei in microscopic fluorescence images involving the gradient energy tensor. Multispectral fluorescence images contain intensity and spatial information about antigene expression, fluorescence in situ hybridization (FISH) signals and nucleus morphology. The latter serves as basis for the detection of single cells and the calculation of shape features, which are used to validate the segmentation and to reject false detections. Accurate segmentation is difficult due to varying staining intensities and aggregated cells. It requires several (meta-) parameters, which have a strong influence on the segmentation results and have to be selected carefully for each sample (or group of similar samples) by user interactions. Because our method is designed for clinicians and biologists, who may have only limited image processing background, an interactive parameter selection step allows the implicit tuning of parameter values. With this simple but intuitive method, segmentation results with high precision for a large number of cells can be achieved by minimal user interaction. The strategy was validated on handsegmented datasets of three neuroblastoma cell lines.

New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer-A Density Functional Theory Approach.

PubMed

Landeros-Martinez, Linda-Lucila; Glossman-Mitnik, Daniel; Orrantia-Borunda, Erasmo; Flores-Holguín, Norma

2017-10-19

The use of nanodiamonds as anticancer drug delivery vehicles has received much attention in recent years. In this theoretical paper, we propose using different esterification methods for nanodiamonds. The monomers proposed are 2-hydroxypropanal, polyethylene glycol, and polyglicolic acid. Specifically, the hydrogen bonds, infrared (IR) spectra, molecular polar surface area, and reactivity parameters are analyzed. The monomers proposed for use in esterification follow Lipinski's rule of five, meaning permeability is good, they have good permeation, and their bioactivity is high. The results show that the complex formed between tamoxifen and nanodiamond esterified with polyglicolic acid presents the greatest number of hydrogen bonds and a good amount of molecular polar surface area. Calculations concerning the esterified nanodiamond and reactivity parameters were performed using Density Functional Theory with the M06 functional and the basis set 6-31G (d); for the esterified nanodiamond-Tamoxifen complexes, the semi-empirical method PM6 was used. The solvent effect has been taken into account by using implicit modelling and the conductor-like polarizable continuum model.

Vectorization on the star computer of several numerical methods for a fluid flow problem

NASA Technical Reports Server (NTRS)

Lambiotte, J. J., Jr.; Howser, L. M.

1974-01-01

A reexamination of some numerical methods is considered in light of the new class of computers which use vector streaming to achieve high computation rates. A study has been made of the effect on the relative efficiency of several numerical methods applied to a particular fluid flow problem when they are implemented on a vector computer. The method of Brailovskaya, the alternating direction implicit method, a fully implicit method, and a new method called partial implicitization have been applied to the problem of determining the steady state solution of the two-dimensional flow of a viscous imcompressible fluid in a square cavity driven by a sliding wall. Results are obtained for three mesh sizes and a comparison is made of the methods for serial computation.

Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo

NASA Astrophysics Data System (ADS)

Matejczyk, Bartłomiej; Valiskó, Mónika; Wolfram, Marie-Therese; Pietschmann, Jan-Frederik; Boda, Dezső

2017-03-01

In the framework of a multiscale modeling approach, we present a systematic study of a bipolar rectifying nanopore using a continuum and a particle simulation method. The common ground in the two methods is the application of the Nernst-Planck (NP) equation to compute ion transport in the framework of the implicit-water electrolyte model. The difference is that the Poisson-Boltzmann theory is used in the Poisson-Nernst-Planck (PNP) approach, while the Local Equilibrium Monte Carlo (LEMC) method is used in the particle simulation approach (NP+LEMC) to relate the concentration profile to the electrochemical potential profile. Since we consider a bipolar pore which is short and narrow, we perform simulations using two-dimensional PNP. In addition, results of a non-linear version of PNP that takes crowding of ions into account are shown. We observe that the mean field approximation applied in PNP is appropriate to reproduce the basic behavior of the bipolar nanopore (e.g., rectification) for varying parameters of the system (voltage, surface charge, electrolyte concentration, and pore radius). We present current data that characterize the nanopore's behavior as a device, as well as concentration, electrical potential, and electrochemical potential profiles.

Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo.

PubMed

Matejczyk, Bartłomiej; Valiskó, Mónika; Wolfram, Marie-Therese; Pietschmann, Jan-Frederik; Boda, Dezső

2017-03-28

In the framework of a multiscale modeling approach, we present a systematic study of a bipolar rectifying nanopore using a continuum and a particle simulation method. The common ground in the two methods is the application of the Nernst-Planck (NP) equation to compute ion transport in the framework of the implicit-water electrolytemodel. The difference is that the Poisson-Boltzmann theory is used in the Poisson-Nernst-Planck (PNP) approach, while the Local Equilibrium Monte Carlo (LEMC) method is used in the particle simulation approach (NP+LEMC) to relate the concentration profile to the electrochemical potential profile. Since we consider a bipolar pore which is short and narrow, we perform simulations using two-dimensional PNP. In addition, results of a non-linear version of PNP that takes crowding of ions into account are shown. We observe that the mean field approximation applied in PNP is appropriate to reproduce the basic behavior of the bipolar nanopore (e.g., rectification) for varying parameters of the system (voltage, surface charge,electrolyte concentration, and pore radius). We present current data that characterize the nanopore's behavior as a device, as well as concentration, electrical potential, and electrochemical potential profiles.

Criminalistic identification of PGM-containing products of mining and metallurgical companies.

PubMed

Perelygin, Alexander; Kuchkin, Alexander; Kharkov, Nikolay; Moskvina, Tatyana

2008-01-15

In early 1990 s some organized criminal groups started to develop a new field of illegal business, which involved thefts of intermediary products from mining and metal-producing plants in Russia and in the south of Africa. Since local sulfide copper/nickel ores contain certain concentrations of precious and platinum group metals (PGMs), the intermediary products recovered at different stages of metallurgical transformation of these ores are materials of high commercial value. Illicit transportation and refining of these materials in Western Europe and North America has evolved into a large-scale business, where a lot of unlawful revenues are being laundered. The most important tasks in combating this organized crime are as follows: to establish the facts when some PGM-containing semi-products had been received at certain refineries; to carry out the identification of these semi-products; and to prove that these semi-products had been produced by a certain company. As a rule, it is not difficult to establish the identity of a "clean product". However, when a material is a mix of several semi-products or a mix of some semi-product with masking substances, the identification of individual components becomes an extremely complicated task. The purpose of developing the "complex procedure for establishing the nature and source of origin of precious metal-bearing products of mining and metallurgical operations" was to make possible the identification of complex mixes comprised of various metallurgical semi-products. In the complex procedure that we have developed to characterize dispersed materials, distribution of particles by their elemental composition (the so-called "pseudophase" composition) was used instead of mineralogical composition. To determine the "pseudophase" composition by the method of scanning electron microscopy with X-ray spectral microanalysis (SEM-EDX), a representative sample of material containing not less than 1000 particles was analyzed. All microparticles can be divided into several types. Each type is characterized by an association of chemical elements contained. The first stage includes the study of elemental composition by inductively coupled plasma optical emission spectrometry and inductively coupled plasma mass-spectrometry; and the study of phase composition by X-ray diffractometry. The results of each study are compared with data in the Data Base. In case of coincidence with one of the products with respect to all diagnostic features, the type of product and its source of origin are defined accordingly. If the features of the sample under analysis detected by the aforementioned methods do not coincide with any of the product types represented in Data Base, it is necessary to examine elemental composition and morphology of separate particle contained in the substance using SEM-EDX. If some particles characterized by features coinciding with features of particles belonging to any product or products from Data Base are found, this product or a mixture of products is assumed to be present in the composition of the substance under analysis. The assumption that the substance is a mixture can be verified by juxtaposing all previously determined features of the analyzed sample with the features of the pattern mixture (superposition) of the appropriate types of products represented in Data Base. Depending on the results of this verification the corresponding conclusion can be made.

A parallelization method for time periodic steady state in simulation of radio frequency sheath dynamics

NASA Astrophysics Data System (ADS)

Kwon, Deuk-Chul; Shin, Sung-Sik; Yu, Dong-Hun

2017-10-01

In order to reduce the computing time in simulation of radio frequency (rf) plasma sources, various numerical schemes were developed. It is well known that the upwind, exponential, and power-law schemes can efficiently overcome the limitation on the grid size for fluid transport simulations of high density plasma discharges. Also, the semi-implicit method is a well-known numerical scheme to overcome on the simulation time step. However, despite remarkable advances in numerical techniques and computing power over the last few decades, efficient multi-dimensional modeling of low temperature plasma discharges has remained a considerable challenge. In particular, there was a difficulty on parallelization in time for the time periodic steady state problems such as capacitively coupled plasma discharges and rf sheath dynamics because values of plasma parameters in previous time step are used to calculate new values each time step. Therefore, we present a parallelization method for the time periodic steady state problems by using period-slices. In order to evaluate the efficiency of the developed method, one-dimensional fluid simulations are conducted for describing rf sheath dynamics. The result shows that speedup can be achieved by using a multithreading method.

Investigation of source location determination from Magsat magnetic anomalies: The Euler method approach

NASA Technical Reports Server (NTRS)

Ravat, Dhananjay

1996-01-01

The applicability of the Euler method of source location determination was investigated on several model situations pertinent to satellite-data scale situations as well as Magsat data of Europe. Our investigations enabled us to understand the end-member cases for which the Euler method will work with the present satellite magnetic data and also the cases for which the assumptions implicit in the Euler method will not be met by the present satellite magnetic data. These results have been presented in one invited lecture at the Indo-US workshop on Geomagnetism in Studies of the Earth's Interior in August 1994 in Pune, India, and at one presentation at the 21st General Assembly of the IUGG in July 1995 in Boulder, CO. A new method, called Anomaly Attenuation Rate (AAR) Method (based on the Euler method), was developed during this study. This method is scale-independent and is appropriate to locate centroids of semi-compact three dimensional sources of gravity and magnetic anomalies. The method was presented during 1996 Spring AGU meeting and a manuscript describing this method is being prepared for its submission to a high-ranking journal. The grant has resulted in 3 papers and presentations at national and international meetings and one manuscript of a paper (to be submitted shortly to a reputable journal).

Elevated in-home sediment contaminant concentrations - the consequence of a particle settling-winnowing process from Hurricane Katrina floodwaters.

PubMed

Ashley, Nicholas A; Valsaraj, Kalliat T; Thibodeaux, Louis J

2008-01-01

Sediment samples were collected from two homes which were flooded in the wake of Hurricane Katrina in August 2005. The samples were analyzed for trace metals and semi-volatile organic compounds using techniques based on established EPA methods. The data showed higher concentrations of some metals and semi-volatile organic pollutants than reported in previous outdoor sampling events of soils and sediments. The Lake Pontchartrain sediments became resuspended during the hurricane, and this material subsequently was found in the residential areas of New Orleans following levee breaches. The clay and silt particles appear to be selectively deposited inside homes, and sediment contaminant concentrations are usually greatest within this fraction. Re-entry advisories based on outdoor sample concentration results may have under-predicted the exposure levels to homeowners and first responders. All contaminants found in the sediment sampled in this study have their origin in the sediments of Lake Pontchartrain and other localized sources.

Comparison of fluorescence-based methods to determine nanoparticle uptake by phagocytes and non-phagocytic cells in vitro.

PubMed

Claudia, Meindl; Kristin, Öhlinger; Jennifer, Ober; Eva, Roblegg; Eleonore, Fröhlich

2017-03-01

At many portals of entry the relative uptake by phagocytes and non-phagocytic cells has a prominent effect on availability and biological action of nanoparticles (NPs). Cellular uptake can be determined for fluorescence-labeled NPs. The present study compares three methods (plate reader, flow cytometry and image analysis) in order to investigate the influence of particle size and functionalization and medium content on cellular uptake of fluorescence-labeled polystyrene particles and to study the respective method́s suitability for uptake studies. For comparison between the techniques, ratios of macrophage to alveolar epithelial cell uptakes were used. Presence of serum protein in the exposure solution decreased uptake of carboxyl-functionalized and non-functionalized particles; there was no clear effect for the amine-functionalized particles. The 200nm non- or carboxyl-functionalized NPs were taken up preferentially by phagocytes while for amine-functionalized particles preference was lowest. The presence of the serum slightly increased the preference for these particles. In conclusion, due to the possibility of calibration, plate reader measurements might present a better option than the other techniques to (semi)quantify differences between phagocytes and non-phagocytic cells for particles with different fluorescence. In order to obtain unbiased data the fluorescent labeling has to fulfill certain requirements. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

A nowcasting technique based on application of the particle filter blending algorithm

NASA Astrophysics Data System (ADS)

Chen, Yuanzhao; Lan, Hongping; Chen, Xunlai; Zhang, Wenhai

2017-10-01

To improve the accuracy of nowcasting, a new extrapolation technique called particle filter blending was configured in this study and applied to experimental nowcasting. Radar echo extrapolation was performed by using the radar mosaic at an altitude of 2.5 km obtained from the radar images of 12 S-band radars in Guangdong Province, China. The first bilateral filter was applied in the quality control of the radar data; an optical flow method based on the Lucas-Kanade algorithm and the Harris corner detection algorithm were used to track radar echoes and retrieve the echo motion vectors; then, the motion vectors were blended with the particle filter blending algorithm to estimate the optimal motion vector of the true echo motions; finally, semi-Lagrangian extrapolation was used for radar echo extrapolation based on the obtained motion vector field. A comparative study of the extrapolated forecasts of four precipitation events in 2016 in Guangdong was conducted. The results indicate that the particle filter blending algorithm could realistically reproduce the spatial pattern, echo intensity, and echo location at 30- and 60-min forecast lead times. The forecasts agreed well with observations, and the results were of operational significance. Quantitative evaluation of the forecasts indicates that the particle filter blending algorithm performed better than the cross-correlation method and the optical flow method. Therefore, the particle filter blending method is proved to be superior to the traditional forecasting methods and it can be used to enhance the ability of nowcasting in operational weather forecasts.

Crystal-structure prediction via the Floppy-Box Monte Carlo algorithm: Method and application to hard (non)convex particles

NASA Astrophysics Data System (ADS)

de Graaf, Joost; Filion, Laura; Marechal, Matthieu; van Roij, René; Dijkstra, Marjolein

2012-12-01

In this paper, we describe the way to set up the floppy-box Monte Carlo (FBMC) method [L. Filion, M. Marechal, B. van Oorschot, D. Pelt, F. Smallenburg, and M. Dijkstra, Phys. Rev. Lett. 103, 188302 (2009), 10.1103/PhysRevLett.103.188302] to predict crystal-structure candidates for colloidal particles. The algorithm is explained in detail to ensure that it can be straightforwardly implemented on the basis of this text. The handling of hard-particle interactions in the FBMC algorithm is given special attention, as (soft) short-range and semi-long-range interactions can be treated in an analogous way. We also discuss two types of algorithms for checking for overlaps between polyhedra, the method of separating axes and a triangular-tessellation based technique. These can be combined with the FBMC method to enable crystal-structure prediction for systems composed of highly shape-anisotropic particles. Moreover, we present the results for the dense crystal structures predicted using the FBMC method for 159 (non)convex faceted particles, on which the findings in [J. de Graaf, R. van Roij, and M. Dijkstra, Phys. Rev. Lett. 107, 155501 (2011), 10.1103/PhysRevLett.107.155501] were based. Finally, we comment on the process of crystal-structure prediction itself and the choices that can be made in these simulations.

Estimates of the organic aerosol volatility in a boreal forest using two independent methods

NASA Astrophysics Data System (ADS)

Hong, Juan; Äijälä, Mikko; Häme, Silja A. K.; Hao, Liqing; Duplissy, Jonathan; Heikkinen, Liine M.; Nie, Wei; Mikkilä, Jyri; Kulmala, Markku; Prisle, Nønne L.; Virtanen, Annele; Ehn, Mikael; Paasonen, Pauli; Worsnop, Douglas R.; Riipinen, Ilona; Petäjä, Tuukka; Kerminen, Veli-Matti

2017-03-01

The volatility distribution of secondary organic aerosols that formed and had undergone aging - i.e., the particle mass fractions of semi-volatile, low-volatility and extremely low volatility organic compounds in the particle phase - was characterized in a boreal forest environment of Hyytiälä, southern Finland. This was done by interpreting field measurements using a volatility tandem differential mobility analyzer (VTDMA) with a kinetic evaporation model. The field measurements were performed during April and May 2014. On average, 40 % of the organics in particles were semi-volatile, 34 % were low-volatility organics and 26 % were extremely low volatility organics. The model was, however, very sensitive to the vaporization enthalpies assumed for the organics (ΔHVAP). The best agreement between the observed and modeled temperature dependence of the evaporation was obtained when effective vaporization enthalpy values of 80 kJ mol-1 were assumed. There are several potential reasons for the low effective enthalpy value, including molecular decomposition or dissociation that might occur in the particle phase upon heating, mixture effects and compound-dependent uncertainties in the mass accommodation coefficient. In addition to the VTDMA-based analysis, semi-volatile and low-volatility organic mass fractions were independently determined by applying positive matrix factorization (PMF) to high-resolution aerosol mass spectrometer (HR-AMS) data. The factor separation was based on the oxygenation levels of organics, specifically the relative abundance of mass ions at m/z 43 (f43) and m/z 44 (f44). The mass fractions of these two organic groups were compared against the VTDMA-based results. In general, the best agreement between the VTDMA results and the PMF-derived mass fractions of organics was obtained when ΔHVAP = 80 kJ mol-1 was set for all organic groups in the model, with a linear correlation coefficient of around 0.4. However, this still indicates that only about 16 % (R2) of the variation can be explained by the linear regression between the results from these two methods. The prospect of determining of extremely low volatility organic aerosols (ELVOAs) from AMS data using the PMF analysis should be assessed in future studies.

Surface Passivation in Empirical Tight Binding

NASA Astrophysics Data System (ADS)

He, Yu; Tan, Yaohua; Jiang, Zhengping; Povolotskyi, Michael; Klimeck, Gerhard; Kubis, Tillmann

2016-03-01

Empirical Tight Binding (TB) methods are widely used in atomistic device simulations. Existing TB methods to passivate dangling bonds fall into two categories: 1) Method that explicitly includes passivation atoms is limited to passivation with atoms and small molecules only. 2) Method that implicitly incorporates passivation does not distinguish passivation atom types. This work introduces an implicit passivation method that is applicable to any passivation scenario with appropriate parameters. This method is applied to a Si quantum well and a Si ultra-thin body transistor oxidized with SiO2 in several oxidation configurations. Comparison with ab-initio results and experiments verifies the presented method. Oxidation configurations that severely hamper the transistor performance are identified. It is also shown that the commonly used implicit H atom passivation overestimates the transistor performance.

Quality-Related Monitoring and Grading of Granulated Products by Weibull-Distribution Modeling of Visual Images with Semi-Supervised Learning

PubMed Central

Liu, Jinping; Tang, Zhaohui; Xu, Pengfei; Liu, Wenzhong; Zhang, Jin; Zhu, Jianyong

2016-01-01

The topic of online product quality inspection (OPQI) with smart visual sensors is attracting increasing interest in both the academic and industrial communities on account of the natural connection between the visual appearance of products with their underlying qualities. Visual images captured from granulated products (GPs), e.g., cereal products, fabric textiles, are comprised of a large number of independent particles or stochastically stacking locally homogeneous fragments, whose analysis and understanding remains challenging. A method of image statistical modeling-based OPQI for GP quality grading and monitoring by a Weibull distribution(WD) model with a semi-supervised learning classifier is presented. WD-model parameters (WD-MPs) of GP images’ spatial structures, obtained with omnidirectional Gaussian derivative filtering (OGDF), which were demonstrated theoretically to obey a specific WD model of integral form, were extracted as the visual features. Then, a co-training-style semi-supervised classifier algorithm, named COSC-Boosting, was exploited for semi-supervised GP quality grading, by integrating two independent classifiers with complementary nature in the face of scarce labeled samples. Effectiveness of the proposed OPQI method was verified and compared in the field of automated rice quality grading with commonly-used methods and showed superior performance, which lays a foundation for the quality control of GP on assembly lines. PMID:27367703

Implicit Attitudes toward Children May Be Unrelated to Child Abuse Risk

ERIC Educational Resources Information Center

Risser, Heather J.; Skowronski, John J.; Crouch, Julie L.

2011-01-01

Objective: To explore whether adults possess implicit attitudes toward children and whether those attitudes are especially negative among respondents who are high in child physical abuse (CPA) risk. Methods: The present study used an implicit evaluative priming procedure. In this procedure, participants were instructed to make decisions about the…

The Utility of Implicit Learning in the Teaching of Rules

ERIC Educational Resources Information Center

Saetrevik, Bjorn; Reber, Rolf; Sannum, Petter

2006-01-01

The potential impact of implicit learning on education has been repeatedly stressed, though little research has examined this connection directly. The current paper describes two experiments that, inspired by artificial grammar learning experiments, examine the utility of implicit learning as a method for teaching atomic bonding rules to 11-12…

A Stable Finite-Difference Scheme for Population Growth and Diffusion on a Map

PubMed Central

Callegari, S.; Lake, G. R.; Tkachenko, N.; Weissmann, J. D.; Zollikofer, Ch. P. E.

2017-01-01

We describe a general Godunov-type splitting for numerical simulations of the Fisher–Kolmogorov–Petrovski–Piskunov growth and diffusion equation on a world map with Neumann boundary conditions. The procedure is semi-implicit, hence quite stable. Our principal application for this solver is modeling human population dispersal over geographical maps with changing paleovegetation and paleoclimate in the late Pleistocene. As a proxy for carrying capacity we use Net Primary Productivity (NPP) to predict times for human arrival in the Americas. PMID:28085882

A Stable Finite-Difference Scheme for Population Growth and Diffusion on a Map.

PubMed

Petersen, W P; Callegari, S; Lake, G R; Tkachenko, N; Weissmann, J D; Zollikofer, Ch P E

2017-01-01

We describe a general Godunov-type splitting for numerical simulations of the Fisher-Kolmogorov-Petrovski-Piskunov growth and diffusion equation on a world map with Neumann boundary conditions. The procedure is semi-implicit, hence quite stable. Our principal application for this solver is modeling human population dispersal over geographical maps with changing paleovegetation and paleoclimate in the late Pleistocene. As a proxy for carrying capacity we use Net Primary Productivity (NPP) to predict times for human arrival in the Americas.

A variable resolution nonhydrostatic global atmospheric semi-implicit semi-Lagrangian model

NASA Astrophysics Data System (ADS)

Pouliot, George Antoine

2000-10-01

The objective of this project is to develop a variable-resolution finite difference adiabatic global nonhydrostatic semi-implicit semi-Lagrangian (SISL) model based on the fully compressible nonhydrostatic atmospheric equations. To achieve this goal, a three-dimensional variable resolution dynamical core was developed and tested. The main characteristics of the dynamical core can be summarized as follows: Spherical coordinates were used in a global domain. A hydrostatic/nonhydrostatic switch was incorporated into the dynamical equations to use the fully compressible atmospheric equations. A generalized horizontal variable resolution grid was developed and incorporated into the model. For a variable resolution grid, in contrast to a uniform resolution grid, the order of accuracy of finite difference approximations is formally lost but remains close to the order of accuracy associated with the uniform resolution grid provided the grid stretching is not too significant. The SISL numerical scheme was implemented for the fully compressible set of equations. In addition, the generalized minimum residual (GMRES) method with restart and preconditioner was used to solve the three-dimensional elliptic equation derived from the discretized system of equations. The three-dimensional momentum equation was integrated in vector-form to incorporate the metric terms in the calculations of the trajectories. Using global re-analysis data for a specific test case, the model was compared to similar SISL models previously developed. Reasonable agreement between the model and the other independently developed models was obtained. The Held-Suarez test for dynamical cores was used for a long integration and the model was successfully integrated for up to 1200 days. Idealized topography was used to test the variable resolution component of the model. Nonhydrostatic effects were simulated at grid spacings of 400 meters with idealized topography and uniform flow. Using a high-resolution topographic data set and the variable resolution grid, sets of experiments with increasing resolution were performed over specific regions of interest. Using realistic initial conditions derived from re-analysis fields, nonhydrostatic effects were significant for grid spacings on the order of 0.1 degrees with orographic forcing. If the model code was adapted for use in a message passing interface (MPI) on a parallel supercomputer today, it was estimated that a global grid spacing of 0.1 degrees would be achievable for a global model. In this case, nonhydrostatic effects would be significant for most areas. A variable resolution grid in a global model provides a unified and flexible approach to many climate and numerical weather prediction problems. The ability to configure the model from very fine to very coarse resolutions allows for the simulation of atmospheric phenomena at different scales using the same code. We have developed a dynamical core illustrating the feasibility of using a variable resolution in a global model.

Implicit Kalman filtering

NASA Technical Reports Server (NTRS)

Skliar, M.; Ramirez, W. F.

1997-01-01

For an implicitly defined discrete system, a new algorithm for Kalman filtering is developed and an efficient numerical implementation scheme is proposed. Unlike the traditional explicit approach, the implicit filter can be readily applied to ill-conditioned systems and allows for generalization to descriptor systems. The implementation of the implicit filter depends on the solution of the congruence matrix equation (A1)(Px)(AT1) = Py. We develop a general iterative method for the solution of this equation, and prove necessary and sufficient conditions for convergence. It is shown that when the system matrices of an implicit system are sparse, the implicit Kalman filter requires significantly less computer time and storage to implement as compared to the traditional explicit Kalman filter. Simulation results are presented to illustrate and substantiate the theoretical developments.

KECSA-Movable Type Implicit Solvation Model (KMTISM)

PubMed Central

2015-01-01

Computation of the solvation free energy for chemical and biological processes has long been of significant interest. The key challenges to effective solvation modeling center on the choice of potential function and configurational sampling. Herein, an energy sampling approach termed the “Movable Type” (MT) method, and a statistical energy function for solvation modeling, “Knowledge-based and Empirical Combined Scoring Algorithm” (KECSA) are developed and utilized to create an implicit solvation model: KECSA-Movable Type Implicit Solvation Model (KMTISM) suitable for the study of chemical and biological systems. KMTISM is an implicit solvation model, but the MT method performs energy sampling at the atom pairwise level. For a specific molecular system, the MT method collects energies from prebuilt databases for the requisite atom pairs at all relevant distance ranges, which by its very construction encodes all possible molecular configurations simultaneously. Unlike traditional statistical energy functions, KECSA converts structural statistical information into categorized atom pairwise interaction energies as a function of the radial distance instead of a mean force energy function. Within the implicit solvent model approximation, aqueous solvation free energies are then obtained from the NVT ensemble partition function generated by the MT method. Validation is performed against several subsets selected from the Minnesota Solvation Database v2012. Results are compared with several solvation free energy calculation methods, including a one-to-one comparison against two commonly used classical implicit solvation models: MM-GBSA and MM-PBSA. Comparison against a quantum mechanics based polarizable continuum model is also discussed (Cramer and Truhlar’s Solvation Model 12). PMID:25691832

A point vortex model for the formation of ocean eddies by flow separation

NASA Astrophysics Data System (ADS)

Southwick, O. R.; Johnson, E. R.; McDonald, N. R.

2015-01-01

A simple model for the formation of ocean eddies by flow separation from sharply curved horizontal boundary topography is developed. This is based on the Brown-Michael model for two-dimensional vortex shedding, which is adapted to more realistically model mesoscale oceanic flow by including a deforming free surface. With a free surface, the streamfunction for the flow is not harmonic so the conformal mapping methods used in the standard Brown-Michael approach cannot be used and the problem must be solved numerically. A numerical scheme is developed based on a Chebyshev spectral method for the streamfunction partial differential equation and a second order implicit timestepping scheme for the vortex position ordinary differntial equations. This method is used to compute shed vortex trajectories for three background flows: (A) a steady flow around a semi-infinite plate, (B) a free vortex moving around a semi-infinite plate, and (C) a free vortex moving around a right-angled wedge. In (A), the inclusion of surface deformation dramatically slows the vortex and changes its trajectory from a straight path to a curved one. In (B) and (C), without the inclusion of flow separation, free vortices traverse fully around the tip along symmetrical trajectories. With the effects of flow separation included, very different trajectories are found: for all values of the model parameter—the Rossby radius—the free and shed vortices pair up and move off to infinity without passing around the tip. Their final propagation angle depends strongly and monotonically on the Rossby radius.

Numerical simulation of turbulent jet noise, part 2

NASA Technical Reports Server (NTRS)

Metcalfe, R. W.; Orszag, S. A.

1976-01-01

Results on the numerical simulation of jet flow fields were used to study the radiated sound field, and in addition, to extend and test the capabilities of the turbulent jet simulation codes. The principal result of the investigation was the computation of the radiated sound field from a turbulent jet. In addition, the computer codes were extended to account for the effects of compressibility and eddy viscosity, and the treatment of the nonlinear terms of the Navier-Stokes equations was modified so that they can be computed in a semi-implicit way. A summary of the flow model and a description of the numerical methods used for its solution are presented. Calculations of the radiated sound field are reported. In addition, the extensions that were made to the fundamental dynamical codes are described. Finally, the current state-of-the-art for computer simulation of turbulent jet noise is summarized.

Comprehensive modeling of a liquid rocket combustion chamber

NASA Technical Reports Server (NTRS)

Liang, P.-Y.; Fisher, S.; Chang, Y. M.

1985-01-01

An analytical model for the simulation of detailed three-phase combustion flows inside a liquid rocket combustion chamber is presented. The three phases involved are: a multispecies gaseous phase, an incompressible liquid phase, and a particulate droplet phase. The gas and liquid phases are continuum described in an Eulerian fashion. A two-phase solution capability for these continuum media is obtained through a marriage of the Implicit Continuous Eulerian (ICE) technique and the fractional Volume of Fluid (VOF) free surface description method. On the other hand, the particulate phase is given a discrete treatment and described in a Lagrangian fashion. All three phases are hence treated rigorously. Semi-empirical physical models are used to describe all interphase coupling terms as well as the chemistry among gaseous components. Sample calculations using the model are given. The results show promising application to truly comprehensive modeling of complex liquid-fueled engine systems.

Nonlinear data assimilation using synchronization in a particle filter

NASA Astrophysics Data System (ADS)

Rodrigues-Pinheiro, Flavia; Van Leeuwen, Peter Jan

2017-04-01

Current data assimilation methods still face problems in strongly nonlinear cases. A promising solution is a particle filter, which provides a representation of the model probability density function by a discrete set of particles. However, the basic particle filter does not work in high-dimensional cases. The performance can be improved by considering the proposal density freedom. A potential choice of proposal density might come from the synchronisation theory, in which one tries to synchronise the model with the true evolution of a system using one-way coupling via the observations. In practice, an extra term is added to the model equations that damps growth of instabilities on the synchronisation manifold. When only part of the system is observed synchronization can be achieved via a time embedding, similar to smoothers in data assimilation. In this work, two new ideas are tested. First, ensemble-based time embedding, similar to an ensemble smoother or 4DEnsVar is used on each particle, avoiding the need for tangent-linear models and adjoint calculations. Tests were performed using Lorenz96 model for 20, 100 and 1000-dimension systems. Results show state-averaged synchronisation errors smaller than observation errors even in partly observed systems, suggesting that the scheme is a promising tool to steer model states to the truth. Next, we combine these efficient particles using an extension of the Implicit Equal-Weights Particle Filter, a particle filter that ensures equal weights for all particles, avoiding filter degeneracy by construction. Promising results will be shown on low- and high-dimensional Lorenz96 models, and the pros and cons of these new ideas will be discussed.

Discrete element modeling of shock-induced particle jetting

NASA Astrophysics Data System (ADS)

Xue, Kun; Cui, Haoran

2018-05-01

The dispersal of particle shell or ring by divergent impulsive loads takes the form of coherent particle jets with the dimensions several orders larger than that of constituent grain. Particle-scale simulations based on the discrete element method have been carried out to reveal the evolution of jets in semi-two-dimensional rings before they burst out of the external surface. We identify two key events which substantially change the resulted jetting pattern, specifically, the annihilation of incipient jets and the tip-slipping of jets, which become active in different phases of jet evolution. Parametric investigations have been done to assess the correlations between the jetting pattern and a variety of structural parameters. Overpressure, the internal and outer diameters of ring as well as the packing density are found to have effects on the jet evolution with different relative importance.

Size-sensitive particle trajectories in three-dimensional micro-bubble acoustic streaming flows

NASA Astrophysics Data System (ADS)

Volk, Andreas; Rossi, Massimiliano; Hilgenfeldt, Sascha; Rallabandi, Bhargav; Kähler, Christian; Marin, Alvaro

2015-11-01

Oscillating microbubbles generate steady streaming flows with interesting features and promising applications for microparticle manipulation. The flow around oscillating semi-cylindrical bubbles has been typically assumed to be independent of the axial coordinate. However, it has been recently revealed that particle motion is strongly three-dimensional: Small tracer particles follow vortical trajectories with pronounced axial displacements near the bubble, weaving a toroidal stream-surface. A well-known consequence of bubble streaming flows is size-dependent particle migration, which can be exploited for sorting and trapping of microparticles in microfluidic devices. In this talk, we will show how the three-dimensional toroidal topology found for small tracer particles is modified as the particle size increases up to 1/3 of the bubble radius. Our results show size-sensitive particle positioning along the axis of the semi-cylindrical bubble. In order to analyze the three-dimensional sorting and trapping capabilities of the system, experiments with an imposed flow and polydisperse particle solutions are also shown.

An implicit spatial and high-order temporal finite difference scheme for 2D acoustic modelling

NASA Astrophysics Data System (ADS)

Wang, Enjiang; Liu, Yang

2018-01-01

The finite difference (FD) method exhibits great superiority over other numerical methods due to its easy implementation and small computational requirement. We propose an effective FD method, characterised by implicit spatial and high-order temporal schemes, to reduce both the temporal and spatial dispersions simultaneously. For the temporal derivative, apart from the conventional second-order FD approximation, a special rhombus FD scheme is included to reach high-order accuracy in time. Compared with the Lax-Wendroff FD scheme, this scheme can achieve nearly the same temporal accuracy but requires less floating-point operation times and thus less computational cost when the same operator length is adopted. For the spatial derivatives, we adopt the implicit FD scheme to improve the spatial accuracy. Apart from the existing Taylor series expansion-based FD coefficients, we derive the least square optimisation based implicit spatial FD coefficients. Dispersion analysis and modelling examples demonstrate that, our proposed method can effectively decrease both the temporal and spatial dispersions, thus can provide more accurate wavefields.

Determination of light extinction efficiency of diesel soot from smoke opacity measurements

NASA Astrophysics Data System (ADS)

Lapuerta, Magín; Martos, Francisco J.; Cárdenas, M. Dolores

2005-10-01

An experimental method for the indirect determination of the light extinction efficiency of the exhaust gas emitted by diesel engines is proposed in this paper, based on the simultaneous measurement of spot opacity and continuous opacity, together with the double modelling of the associated soot concentration. The first model simulates the projection of a differently sized soot particle population enclosed in an exhaust gas sample on the filter of a spot opacimeter. The second one simulates the light extinction caused by the soot particles flowing in the exhaust gas stream in an online continuous opacimeter, on the basis of the Beer-Lambert law. This method is an alternative to other theoretical or semi-empirical complex methods which have proved to be inadequate in the case of soot agglomerates. The application of this method to a set of experimental smoke measurements from a commercial light-duty DI diesel engine typical of vehicle road transportation permitted us to draw conclusions about the effect of different engine conditions on the mean light extinction efficiency of the soot particles flowing in the raw exhaust gas stream.

Estimating the implicit component of visuomotor rotation learning by constraining movement preparation time.

PubMed

Leow, Li-Ann; Gunn, Reece; Marinovic, Welber; Carroll, Timothy J

2017-08-01

When sensory feedback is perturbed, accurate movement is restored by a combination of implicit processes and deliberate reaiming to strategically compensate for errors. Here, we directly compare two methods used previously to dissociate implicit from explicit learning on a trial-by-trial basis: 1 ) asking participants to report the direction that they aim their movements, and contrasting this with the directions of the target and the movement that they actually produce, and 2 ) manipulating movement preparation time. By instructing participants to reaim without a sensory perturbation, we show that reaiming is possible even with the shortest possible preparation times, particularly when targets are narrowly distributed. Nonetheless, reaiming is effortful and comes at the cost of increased variability, so we tested whether constraining preparation time is sufficient to suppress strategic reaiming during adaptation to visuomotor rotation with a broad target distribution. The rate and extent of error reduction under preparation time constraints were similar to estimates of implicit learning obtained from self-report without time pressure, suggesting that participants chose not to apply a reaiming strategy to correct visual errors under time pressure. Surprisingly, participants who reported aiming directions showed less implicit learning according to an alternative measure, obtained during trials performed without visual feedback. This suggests that the process of reporting can affect the extent or persistence of implicit learning. The data extend existing evidence that restricting preparation time can suppress explicit reaiming and provide an estimate of implicit visuomotor rotation learning that does not require participants to report their aiming directions. NEW & NOTEWORTHY During sensorimotor adaptation, implicit error-driven learning can be isolated from explicit strategy-driven reaiming by subtracting self-reported aiming directions from movement directions, or by restricting movement preparation time. Here, we compared the two methods. Restricting preparation times did not eliminate reaiming but was sufficient to suppress reaiming during adaptation with widely distributed targets. The self-report method produced a discrepancy in implicit learning estimated by subtracting aiming directions and implicit learning measured in no-feedback trials. Copyright © 2017 the American Physiological Society.

Implicit schemes and parallel computing in unstructured grid CFD

NASA Technical Reports Server (NTRS)

Venkatakrishnam, V.

1995-01-01

The development of implicit schemes for obtaining steady state solutions to the Euler and Navier-Stokes equations on unstructured grids is outlined. Applications are presented that compare the convergence characteristics of various implicit methods. Next, the development of explicit and implicit schemes to compute unsteady flows on unstructured grids is discussed. Next, the issues involved in parallelizing finite volume schemes on unstructured meshes in an MIMD (multiple instruction/multiple data stream) fashion are outlined. Techniques for partitioning unstructured grids among processors and for extracting parallelism in explicit and implicit solvers are discussed. Finally, some dynamic load balancing ideas, which are useful in adaptive transient computations, are presented.

Fourier-Legendre spectral methods for incompressible channel flow

NASA Technical Reports Server (NTRS)

Zang, T. A.; Hussaini, M. Y.

1984-01-01

An iterative collocation technique is described for modeling implicit viscosity in three-dimensional incompressible wall bounded shear flow. The viscosity can vary temporally and in the vertical direction. Channel flow is modeled with a Fourier-Legendre approximation and the mean streamwise advection is treated implicitly. Explicit terms are handled with an Adams-Bashforth method to increase the allowable time-step for calculation of the implicit terms. The algorithm is applied to low amplitude unstable waves in a plane Poiseuille flow at an Re of 7500. Comparisons are made between results using the Legendre method and with Chebyshev polynomials. Comparable accuracy is obtained for the perturbation kinetic energy predicted using both discretizations.

Are implicit self-esteem measures valid for assessing individual and cultural differences?

PubMed

Falk, Carl F; Heine, Steven J; Takemura, Kosuke; Zhang, Cathy X J; Hsu, Chih-Wei

2015-02-01

Our research utilized two popular theoretical conceptualizations of implicit self-esteem: 1) implicit self-esteem as a global automatic reaction to the self; and 2) implicit self-esteem as a context/domain specific construct. Under this framework, we present an extensive search for implicit self-esteem measure validity among different cultural groups (Study 1) and under several experimental manipulations (Study 2). In Study 1, Euro-Canadians (N = 107), Asian-Canadians (N = 187), and Japanese (N = 112) completed a battery of implicit self-esteem, explicit self-esteem, and criterion measures. Included implicit self-esteem measures were either popular or provided methodological improvements upon older methods. Criterion measures were sampled from previous research on implicit self-esteem and included self-report and independent ratings. In Study 2, Americans (N = 582) completed a shorter battery of these same types of measures under either a control condition, an explicit prime meant to activate the self-concept in a particular context, or prime meant to activate self-competence related implicit attitudes. Across both studies, explicit self-esteem measures far outperformed implicit self-esteem measures in all cultural groups and under all experimental manipulations. Implicit self-esteem measures are not valid for individual or cross-cultural comparisons. We speculate that individuals may not form implicit associations with the self as an attitudinal object. © 2013 Wiley Periodicals, Inc.

Comparison of fluorescence-based methods to determine nanoparticle uptake by phagocytes and non-phagocytic cells in vitro

PubMed Central

Claudia, Meindl; Kristin, Öhlinger; Jennifer, Ober; Eva, Roblegg; Eleonore, Fröhlich

2017-01-01

At many portals of entry the relative uptake by phagocytes and non-phagocytic cells has a prominent effect on availability and biological action of nanoparticles (NPs). Cellular uptake can be determined for fluorescence-labeled NPs. The present study compares three methods (plate reader, flow cytometry and image analysis) in order to investigate the influence of particle size and functionalization and medium content on cellular uptake of fluorescence–labeled polystyrene particles and to study the respective method’s suitability for uptake studies. For comparison between the techniques, ratios of macrophage to alveolar epithelial cell uptakes were used. Presence of serum protein in the exposure solution decreased uptake of carboxyl-functionalized and non-functionalized particles; there was no clear effect for the amine-functionalized particles. The 200 nm non- or carboxyl-functionalized NPs were taken up preferentially by phagocytes while for amine-functionalized particles preference was lowest. The presence of the serum slightly increased the preference for these particles. In conclusion, due to the possibility of calibration, plate reader measurements might present a better option than the other techniques to (semi)quantify differences between phagocytes and non-phagocytic cells for particles with different fluorescence. In order to obtain unbiased data the fluorescent labeling has to fulfill certain requirements. PMID:28065592

Lagrangian trajectories, residual currents and rectification process in the Northern Gulf of California

NASA Astrophysics Data System (ADS)

Rodríguez, Pablo Alonso; Carbajal, Noel; Rodríguez, Juan Heberto Gaviño

2017-07-01

Considering a semi-implicit approximation of the Coriolis terms, a numerical solution of the vertically integrated equations of motion is proposed. To test the two-dimensional numerical model, several experiments for the calculation of Euler, Stokes and Lagrange residual currents in the Gulf of California were carried out. To estimate the Lagrangian residual current, trajectories of particles were also simulated. The applied tidal constituents were M2, S2, K2, N2, K1, P1 and O1. At spring tides, strong tidal velocities occur in the northern half of the gulf. In this region of complex geometry, depths change from a few meter in the northern shelf zone to more than 3000 m in the southern part. In the archipelago region, the presence of islands alters amplitude and direction of tidal currents producing a rectification process which is reflected in a clockwise circulation around Tiburón Island in the Lagrangian residual current. The rectification process is explained by the superposition of the Euler and Stokes residual currents. Residual current patterns show several cyclonic and anticyclonic gyres in the Northern Gulf of California. Numerical experiments for individual and combinations of several tidal constituents revealed a large variability of Lagrangian trajectories.

Implicit Monte Carlo with a linear discontinuous finite element material solution and piecewise non-constant opacity

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

Wollaeger, Ryan T.; Wollaber, Allan B.; Urbatsch, Todd J.

2016-02-23

Here, the non-linear thermal radiative-transfer equations can be solved in various ways. One popular way is the Fleck and Cummings Implicit Monte Carlo (IMC) method. The IMC method was originally formulated with piecewise-constant material properties. For domains with a coarse spatial grid and large temperature gradients, an error known as numerical teleportation may cause artificially non-causal energy propagation and consequently an inaccurate material temperature. Source tilting is a technique to reduce teleportation error by constructing sub-spatial-cell (or sub-cell) emission profiles from which IMC particles are sampled. Several source tilting schemes exist, but some allow teleportation error to persist. We examinemore » the effect of source tilting in problems with a temperature-dependent opacity. Within each cell, the opacity is evaluated continuously from a temperature profile implied by the source tilt. For IMC, this is a new approach to modeling the opacity. We find that applying both source tilting along with a source tilt-dependent opacity can introduce another dominant error that overly inhibits thermal wavefronts. We show that we can mitigate both teleportation and under-propagation errors if we discretize the temperature equation with a linear discontinuous (LD) trial space. Our method is for opacities ~ 1/T 3, but we formulate and test a slight extension for opacities ~ 1/T 3.5, where T is temperature. We find our method avoids errors that can be incurred by IMC with continuous source tilt constructions and piecewise-constant material temperature updates.« less

Multigrid methods for flow transition in three-dimensional boundary layers with surface roughness

NASA Technical Reports Server (NTRS)

Liu, Chaoqun; Liu, Zhining; Mccormick, Steve

1993-01-01

The efficient multilevel adaptive method has been successfully applied to perform direct numerical simulations (DNS) of flow transition in 3-D channels and 3-D boundary layers with 2-D and 3-D isolated and distributed roughness in a curvilinear coordinate system. A fourth-order finite difference technique on stretched and staggered grids, a fully-implicit time marching scheme, a semi-coarsening multigrid method associated with line distributive relaxation scheme, and an improved outflow boundary-condition treatment, which needs only a very short buffer domain to damp all order-one wave reflections, are developed. These approaches make the multigrid DNS code very accurate and efficient. This allows us not only to be able to do spatial DNS for the 3-D channel and flat plate at low computational costs, but also to do spatial DNS for transition in the 3-D boundary layer with 3-D single and multiple roughness elements, which would have extremely high computational costs with conventional methods. Numerical results show good agreement with the linear stability theory, the secondary instability theory, and a number of laboratory experiments. The contribution of isolated and distributed roughness to transition is analyzed.

Reprint of Solution of Ambrosio-Tortorelli model for image segmentation by generalized relaxation method

NASA Astrophysics Data System (ADS)

D'Ambra, Pasqua; Tartaglione, Gaetano

2015-04-01

Image segmentation addresses the problem to partition a given image into its constituent objects and then to identify the boundaries of the objects. This problem can be formulated in terms of a variational model aimed to find optimal approximations of a bounded function by piecewise-smooth functions, minimizing a given functional. The corresponding Euler-Lagrange equations are a set of two coupled elliptic partial differential equations with varying coefficients. Numerical solution of the above system often relies on alternating minimization techniques involving descent methods coupled with explicit or semi-implicit finite-difference discretization schemes, which are slowly convergent and poorly scalable with respect to image size. In this work we focus on generalized relaxation methods also coupled with multigrid linear solvers, when a finite-difference discretization is applied to the Euler-Lagrange equations of Ambrosio-Tortorelli model. We show that non-linear Gauss-Seidel, accelerated by inner linear iterations, is an effective method for large-scale image analysis as those arising from high-throughput screening platforms for stem cells targeted differentiation, where one of the main goal is segmentation of thousand of images to analyze cell colonies morphology.

Solution of Ambrosio-Tortorelli model for image segmentation by generalized relaxation method

NASA Astrophysics Data System (ADS)

D'Ambra, Pasqua; Tartaglione, Gaetano

2015-03-01

Image segmentation addresses the problem to partition a given image into its constituent objects and then to identify the boundaries of the objects. This problem can be formulated in terms of a variational model aimed to find optimal approximations of a bounded function by piecewise-smooth functions, minimizing a given functional. The corresponding Euler-Lagrange equations are a set of two coupled elliptic partial differential equations with varying coefficients. Numerical solution of the above system often relies on alternating minimization techniques involving descent methods coupled with explicit or semi-implicit finite-difference discretization schemes, which are slowly convergent and poorly scalable with respect to image size. In this work we focus on generalized relaxation methods also coupled with multigrid linear solvers, when a finite-difference discretization is applied to the Euler-Lagrange equations of Ambrosio-Tortorelli model. We show that non-linear Gauss-Seidel, accelerated by inner linear iterations, is an effective method for large-scale image analysis as those arising from high-throughput screening platforms for stem cells targeted differentiation, where one of the main goal is segmentation of thousand of images to analyze cell colonies morphology.

Parallel/Vector Integration Methods for Dynamical Astronomy

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

1999-01-01

This paper reviews three recent works on the numerical methods to integrate ordinary differential equations (ODE), which are specially designed for parallel, vector, and/or multi-processor-unit(PU) computers. The first is the Picard-Chebyshev method (Fukushima, 1997a). It obtains a global solution of ODE in the form of Chebyshev polynomial of large (> 1000) degree by applying the Picard iteration repeatedly. The iteration converges for smooth problems and/or perturbed dynamics. The method runs around 100-1000 times faster in the vector mode than in the scalar mode of a certain computer with vector processors (Fukushima, 1997b). The second is a parallelization of a symplectic integrator (Saha et al., 1997). It regards the implicit midpoint rules covering thousands of timesteps as large-scale nonlinear equations and solves them by the fixed-point iteration. The method is applicable to Hamiltonian systems and is expected to lead an acceleration factor of around 50 in parallel computers with more than 1000 PUs. The last is a parallelization of the extrapolation method (Ito and Fukushima, 1997). It performs trial integrations in parallel. Also the trial integrations are further accelerated by balancing computational load among PUs by the technique of folding. The method is all-purpose and achieves an acceleration factor of around 3.5 by using several PUs. Finally, we give a perspective on the parallelization of some implicit integrators which require multiple corrections in solving implicit formulas like the implicit Hermitian integrators (Makino and Aarseth, 1992), (Hut et al., 1995) or the implicit symmetric multistep methods (Fukushima, 1998), (Fukushima, 1999).

A comparison between semi-spheroid- and dome-shaped quantum dots coupled to wetting layer

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

Shahzadeh, Mohammadreza; Sabaeian, Mohammad, E-mail: Sabaeian@scu.ac.ir

2014-06-15

During the epitaxial growth method, self-assembled semi-spheroid-shaped quantum dots (QDs) are formed on the wetting layer (WL). However for sake of simplicity, researchers sometimes assume semi-spheroid-shaped QDs to be dome-shaped (hemisphere). In this work, a detailed and comprehensive study on the difference between electronic and transition properties of dome- and semi-spheroid-shaped quantum dots is presented. We will explain why the P-to-S intersubband transition behaves the way it does. The calculated results for intersubband P-to-S transition properties of quantum dots show two different trends for dome-shaped and semi-spheroid-shaped quantum dots. The results are interpreted using the probability of finding electron insidemore » the dome/spheroid region, with emphasis on the effects of wetting layer. It is shown that dome-shaped and semi-spheroid-shaped quantum dots feature different electronic and transition properties, arising from the difference in lateral dimensions between dome- and semi-spheroid-shaped QDs. Moreover, an analogy is presented between the bound S-states in the quantum dots and a simple 3D quantum mechanical particle in a box, and effective sizes are calculated. The results of this work will benefit researchers to present more realistic models of coupled QD/WL systems and explain their properties more precisely.« less

Querying Semi-Structured Data

NASA Technical Reports Server (NTRS)

Abiteboul, Serge

1997-01-01

The amount of data of all kinds available electronically has increased dramatically in recent years. The data resides in different forms, ranging from unstructured data in the systems to highly structured in relational database systems. Data is accessible through a variety of interfaces including Web browsers, database query languages, application-specic interfaces, or data exchange formats. Some of this data is raw data, e.g., images or sound. Some of it has structure even if the structure is often implicit, and not as rigid or regular as that found in standard database systems. Sometimes the structure exists but has to be extracted from the data. Sometimes also it exists but we prefer to ignore it for certain purposes such as browsing. We call here semi-structured data this data that is (from a particular viewpoint) neither raw data nor strictly typed, i.e., not table-oriented as in a relational model or sorted-graph as in object databases. As will seen later when the notion of semi-structured data is more precisely de ned, the need for semi-structured data arises naturally in the context of data integration, even when the data sources are themselves well-structured. Although data integration is an old topic, the need to integrate a wider variety of data- formats (e.g., SGML or ASN.1 data) and data found on the Web has brought the topic of semi-structured data to the forefront of research. The main purpose of the paper is to isolate the essential aspects of semi- structured data. We also survey some proposals of models and query languages for semi-structured data. In particular, we consider recent works at Stanford U. and U. Penn on semi-structured data. In both cases, the motivation is found in the integration of heterogeneous data.

Beyond Bigotry: Teaching about Unconscious Prejudice

ERIC Educational Resources Information Center

Ghoshal, Raj Andrew; Lippard, Cameron; Ribas, Vanesa; Muir, Ken

2013-01-01

Researchers have demonstrated that unconscious prejudices around characteristics such as race, gender, and class are common, even among people who avow themselves unbiased. The authors present a method for teaching about implicit racial bias using online Implicit Association Tests. The authors do not claim that their method rids students of…

Nonuniform grid implicit spatial finite difference method for acoustic wave modeling in tilted transversely isotropic media

NASA Astrophysics Data System (ADS)

Chu, Chunlei; Stoffa, Paul L.

2012-01-01

Discrete earth models are commonly represented by uniform structured grids. In order to ensure accurate numerical description of all wave components propagating through these uniform grids, the grid size must be determined by the slowest velocity of the entire model. Consequently, high velocity areas are always oversampled, which inevitably increases the computational cost. A practical solution to this problem is to use nonuniform grids. We propose a nonuniform grid implicit spatial finite difference method which utilizes nonuniform grids to obtain high efficiency and relies on implicit operators to achieve high accuracy. We present a simple way of deriving implicit finite difference operators of arbitrary stencil widths on general nonuniform grids for the first and second derivatives and, as a demonstration example, apply these operators to the pseudo-acoustic wave equation in tilted transversely isotropic (TTI) media. We propose an efficient gridding algorithm that can be used to convert uniformly sampled models onto vertically nonuniform grids. We use a 2D TTI salt model to demonstrate its effectiveness and show that the nonuniform grid implicit spatial finite difference method can produce highly accurate seismic modeling results with enhanced efficiency, compared to uniform grid explicit finite difference implementations.

Gas-particle partitioning of atmospheric aerosols: interplay of physical state, non-ideal mixing and morphology.

PubMed

Shiraiwa, Manabu; Zuend, Andreas; Bertram, Allan K; Seinfeld, John H

2013-07-21

Atmospheric aerosols, comprising organic compounds and inorganic salts, play a key role in air quality and climate. Mounting evidence exists that these particles frequently exhibit phase separation into predominantly organic and aqueous electrolyte-rich phases. As well, the presence of amorphous semi-solid or glassy particle phases has been established. Using the canonical system of ammonium sulfate mixed with organics from the ozone oxidation of α-pinene, we illustrate theoretically the interplay of physical state, non-ideality, and particle morphology affecting aerosol mass concentration and the characteristic timescale of gas-particle mass transfer. Phase separation can significantly affect overall particle mass and chemical composition. Semi-solid or glassy phases can kinetically inhibit the partitioning of semivolatile components and hygroscopic growth, in contrast to the traditional assumption that organic compounds exist in quasi-instantaneous gas-particle equilibrium. These effects have significant implications for the interpretation of laboratory data and the development of improved atmospheric air quality and climate models.

The "Word Game": An Innovative Strategy for Assessing Implicit Processes in Parents at Risk for Child Physical Abuse

ERIC Educational Resources Information Center

Crouch, Julie L.; Irwin, Lauren M.; Wells, Brett M.; Shelton, Christopher R.; Skowronski, John J.; Milner, Joel S.

2012-01-01

Objective: Contemporary theories of child physical abuse (CPA) emphasize the proximal role of social cognitive processes (many of which are implicit in nature) in the occurrence of parental aggression. However, methods that allow for the systematic examination of implicit cognitive processes during the course of aggressive interactions are needed.…

Implicit Racial/Ethnic Bias Among Health Care Professionals and Its Influence on Health Care Outcomes: A Systematic Review

PubMed Central

Hall, William J.; Lee, Kent M.; Merino, Yesenia M.; Thomas, Tainayah W.; Payne, B. Keith; Eng, Eugenia; Day, Steven H.; Coyne-Beasley, Tamera

2015-01-01

Background. In the United States, people of color face disparities in access to health care, the quality of care received, and health outcomes. The attitudes and behaviors of health care providers have been identified as one of many factors that contribute to health disparities. Implicit attitudes are thoughts and feelings that often exist outside of conscious awareness, and thus are difficult to consciously acknowledge and control. These attitudes are often automatically activated and can influence human behavior without conscious volition. Objectives. We investigated the extent to which implicit racial/ethnic bias exists among health care professionals and examined the relationships between health care professionals’ implicit attitudes about racial/ethnic groups and health care outcomes. Search Methods. To identify relevant studies, we searched 10 computerized bibliographic databases and used a reference harvesting technique. Selection Criteria. We assessed eligibility using double independent screening based on a priori inclusion criteria. We included studies if they sampled existing health care providers or those in training to become health care providers, measured and reported results on implicit racial/ethnic bias, and were written in English. Data Collection and Analysis. We included a total of 15 studies for review and then subjected them to double independent data extraction. Information extracted included the citation, purpose of the study, use of theory, study design, study site and location, sampling strategy, response rate, sample size and characteristics, measurement of relevant variables, analyses performed, and results and findings. We summarized study design characteristics, and categorized and then synthesized substantive findings. Main Results. Almost all studies used cross-sectional designs, convenience sampling, US participants, and the Implicit Association Test to assess implicit bias. Low to moderate levels of implicit racial/ethnic bias were found among health care professionals in all but 1 study. These implicit bias scores are similar to those in the general population. Levels of implicit bias against Black, Hispanic/Latino/Latina, and dark-skinned people were relatively similar across these groups. Although some associations between implicit bias and health care outcomes were nonsignificant, results also showed that implicit bias was significantly related to patient–provider interactions, treatment decisions, treatment adherence, and patient health outcomes. Implicit attitudes were more often significantly related to patient–provider interactions and health outcomes than treatment processes. Conclusions. Most health care providers appear to have implicit bias in terms of positive attitudes toward Whites and negative attitudes toward people of color. Future studies need to employ more rigorous methods to examine the relationships between implicit bias and health care outcomes. Interventions targeting implicit attitudes among health care professionals are needed because implicit bias may contribute to health disparities for people of color. PMID:26469668

Implicit SPH v. 1.0

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

Kim, Kyungjoo; Parks, Michael L.; Perego, Mauro

2016-11-09

ISPH code is developed to solve multi-physics meso-scale flow problems using implicit SPH method. In particular, the code can provides solutions for incompressible, multi phase flow and electro-kinetic flows.

The Effect of Implicitly Incentivized Faking on Explicit and Implicit Measures of Doping Attitude: When Athletes Want to Pretend an Even More Negative Attitude to Doping

PubMed Central

Wolff, Wanja; Schindler, Sebastian; Brand, Ralf

2015-01-01

The Implicit Association Test (IAT) aims to measure participants’ automatic evaluation of an attitude object and is useful especially for the measurement of attitudes related to socially sensitive subjects, e.g. doping in sports. Several studies indicate that IAT scores can be faked on instruction. But fully or semi-instructed research scenarios might not properly reflect what happens in more realistic situations, when participants secretly decide to try faking the test. The present study is the first to investigate IAT faking when there is only an implicit incentive to do so. Sixty-five athletes (22.83 years ± 2.45; 25 women) were randomly assigned to an incentive-to-fake condition or a control condition. Participants in the incentive-to-fake condition were manipulated to believe that athletes with lenient doping attitudes would be referred to a tedious 45-minute anti-doping program. Attitudes were measured with the pictorial doping brief IAT (BIAT) and with the Performance Enhancement Attitude Scale (PEAS). A one-way MANOVA revealed significant differences between conditions after the manipulation in PEAS scores, but not in the doping BIAT. In the light of our hypothesis this suggests that participants successfully faked an exceedingly negative attitude to doping when completing the PEAS, but were unsuccessful in doing so on the reaction time-based test. This study assessed BIAT faking in a setting that aimed to resemble a situation in which participants want to hide their attempts to cheat. The two measures of attitude were differentially affected by the implicit incentive. Our findings provide evidence that the pictorial doping BIAT is relatively robust against spontaneous and naïve faking attempts. (B)IATs might be less prone to faking than implied by previous studies. PMID:25902142

Health Care Providers’ Implicit and Explicit Attitudes Toward Lesbian Women and Gay Men

PubMed Central

Riskind, Rachel G.; Nosek, Brian A.

2015-01-01

Objectives. We examined providers’ implicit and explicit attitudes toward lesbian and gay people by provider gender, sexual identity, and race/ethnicity. Methods. We examined attitudes toward heterosexual people versus lesbian and gay people in Implicit Association Test takers: 2338 medical doctors, 5379 nurses, 8531 mental health providers, 2735 other treatment providers, and 214 110 nonproviders in the United States and internationally between May 2006 and December 2012. We characterized the sample with descriptive statistics and calculated Cohen d, a standardized effect size measure, with 95% confidence intervals. Results. Among heterosexual providers, implicit preferences always favored heterosexual people over lesbian and gay people. Implicit preferences for heterosexual women were weaker than implicit preferences for heterosexual men. Heterosexual nurses held the strongest implicit preference for heterosexual men over gay men (Cohen d = 1.30; 95% confidence interval = 1.28, 1.32 among female nurses; Cohen d = 1.38; 95% confidence interval = 1.32, 1.44 among male nurses). Among all groups, explicit preferences for heterosexual versus lesbian and gay people were weaker than implicit preferences. Conclusions. Implicit preferences for heterosexual people versus lesbian and gay people are pervasive among heterosexual health care providers. Future research should investigate how implicit sexual prejudice affects care. PMID:26180976

Implicit methods for efficient musculoskeletal simulation and optimal control

PubMed Central

van den Bogert, Antonie J.; Blana, Dimitra; Heinrich, Dieter

2011-01-01

The ordinary differential equations for musculoskeletal dynamics are often numerically stiff and highly nonlinear. Consequently, simulations require small time steps, and optimal control problems are slow to solve and have poor convergence. In this paper, we present an implicit formulation of musculoskeletal dynamics, which leads to new numerical methods for simulation and optimal control, with the expectation that we can mitigate some of these problems. A first order Rosenbrock method was developed for solving forward dynamic problems using the implicit formulation. It was used to perform real-time dynamic simulation of a complex shoulder arm system with extreme dynamic stiffness. Simulations had an RMS error of only 0.11 degrees in joint angles when running at real-time speed. For optimal control of musculoskeletal systems, a direct collocation method was developed for implicitly formulated models. The method was applied to predict gait with a prosthetic foot and ankle. Solutions were obtained in well under one hour of computation time and demonstrated how patients may adapt their gait to compensate for limitations of a specific prosthetic limb design. The optimal control method was also applied to a state estimation problem in sports biomechanics, where forces during skiing were estimated from noisy and incomplete kinematic data. Using a full musculoskeletal dynamics model for state estimation had the additional advantage that forward dynamic simulations, could be done with the same implicitly formulated model to simulate injuries and perturbation responses. While these methods are powerful and allow solution of previously intractable problems, there are still considerable numerical challenges, especially related to the convergence of gradient-based solvers. PMID:22102983

High-Order Space-Time Methods for Conservation Laws

NASA Technical Reports Server (NTRS)

Huynh, H. T.

2013-01-01

Current high-order methods such as discontinuous Galerkin and/or flux reconstruction can provide effective discretization for the spatial derivatives. Together with a time discretization, such methods result in either too small a time step size in the case of an explicit scheme or a very large system in the case of an implicit one. To tackle these problems, two new high-order space-time schemes for conservation laws are introduced: the first is explicit and the second, implicit. The explicit method here, also called the moment scheme, achieves a Courant-Friedrichs-Lewy (CFL) condition of 1 for the case of one-spatial dimension regardless of the degree of the polynomial approximation. (For standard explicit methods, if the spatial approximation is of degree p, then the time step sizes are typically proportional to 1/p(exp 2)). Fourier analyses for the one and two-dimensional cases are carried out. The property of super accuracy (or super convergence) is discussed. The implicit method is a simplified but optimal version of the discontinuous Galerkin scheme applied to time. It reduces to a collocation implicit Runge-Kutta (RK) method for ordinary differential equations (ODE) called Radau IIA. The explicit and implicit schemes are closely related since they employ the same intermediate time levels, and the former can serve as a key building block in an iterative procedure for the latter. A limiting technique for the piecewise linear scheme is also discussed. The technique can suppress oscillations near a discontinuity while preserving accuracy near extrema. Preliminary numerical results are shown

A New Approach to X-ray Analysis of SNRs

NASA Astrophysics Data System (ADS)

Frank, Kari A.; Burrows, David; Dwarkadas, Vikram

2016-06-01

We present preliminary results of applying a novel analysis method, Smoothed Particle Inference (SPI), to XMM-Newton observations of SNR RCW 103 and Tycho. SPI is a Bayesian modeling process that fits a population of gas blobs (”smoothed particles”) such that their superposed emission reproduces the observed spatial and spectral distribution of photons. Emission-weighted distributions of plasma properties, such as abundances and temperatures, are then extracted from the properties of the individual blobs. This technique has important advantages over analysis techniques which implicitly assume that remnants are two-dimensional objects in which each line of sight encompasses a single plasma. By contrast, SPI allows superposition of as many blobs of plasma as are needed to match the spectrum observed in each direction, without the need to bin the data spatially. The analyses of RCW 103 and Tycho are part of a pilot study for the larger SPIES (Smoothed Particle Inference Exploration of SNRs) project, in which SPI will be applied to a sample of 12 bright SNRs.

μ-PIV measurements of the ensemble flow fields surrounding a migrating semi-infinite bubble.

PubMed

Yamaguchi, Eiichiro; Smith, Bradford J; Gaver, Donald P

2009-08-01

Microscale particle image velocimetry (μ-PIV) measurements of ensemble flow fields surrounding a steadily-migrating semi-infinite bubble through the novel adaptation of a computer controlled linear motor flow control system. The system was programmed to generate a square wave velocity input in order to produce accurate constant bubble propagation repeatedly and effectively through a fused glass capillary tube. We present a novel technique for re-positioning of the coordinate axis to the bubble tip frame of reference in each instantaneous field through the analysis of the sudden change of standard deviation of centerline velocity profiles across the bubble interface. Ensemble averages were then computed in this bubble tip frame of reference. Combined fluid systems of water/air, glycerol/air, and glycerol/Si-oil were used to investigate flows comparable to computational simulations described in Smith and Gaver (2008) and to past experimental observations of interfacial shape. Fluorescent particle images were also analyzed to measure the residual film thickness trailing behind the bubble. The flow fields and film thickness agree very well with the computational simulations as well as existing experimental and analytical results. Particle accumulation and migration associated with the flow patterns near the bubble tip after long experimental durations are discussed as potential sources of error in the experimental method.

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

Anthony Leonard; Phillippe Chatelain; Michael Rebel

Heavy ground vehicles, especially those involved in long-haul freight transportation, consume a significant part of our nation's energy supply. it is therefore of utmost importance to improve their efficiency, both to reduce emissions and to decrease reliance on imported oil. At highway speeds, more than half of the power consumed by a typical semi truck goes into overcoming aerodynamic drag, a fraction which increases with speed and crosswind. Thanks to better tools and increased awareness, recent years have seen substantial aerodynamic improvements by the truck industry, such as tractor/trailer height matching, radiator area reduction, and swept fairings. However, there remainsmore » substantial room for improvement as understanding of turbulent fluid dynamics grows. The group's research effort focused on vortex particle methods, a novel approach for computational fluid dynamics (CFD). Where common CFD methods solve or model the Navier-Stokes equations on a grid which stretches from the truck surface outward, vortex particle methods solve the vorticity equation on a Lagrangian basis of smooth particles and do not require a grid. They worked to advance the state of the art in vortex particle methods, improving their ability to handle the complicated, high Reynolds number flow around heavy vehicles. Specific challenges that they have addressed include finding strategies to accurate capture vorticity generation and resultant forces at the truck wall, handling the aerodynamics of spinning bodies such as tires, application of the method to the GTS model, computation time reduction through improved integration methods, a closest point transform for particle method in complex geometrics, and work on large eddy simulation (LES) turbulence modeling.« less

Turbulent transport of alpha particles in tokamak plasmas

NASA Astrophysics Data System (ADS)

Croitoru, A.; Palade, D. I.; Vlad, M.; Spineanu, F.

2017-03-01

We investigate the \\boldsymbol{E}× \\boldsymbol{B} diffusion of fusion born α particles in tokamak plasmas. We determine the transport regimes for a realistic model that has the characteristics of the ion temperature gradient (ITG) or of the trapped electron mode (TEM) driven turbulence. It includes a spectrum of potential fluctuations that is modeled using the results of the numerical simulations, the drift of the potential with the effective diamagnetic velocity and the parallel motion. Our semi-analytical statistical approach is based on the decorrelation trajectory method (DTM), which is adapted to the gyrokinetic approximation. We obtain the transport coefficients as a function of the parameters of the turbulence and of the energy of the α particles. According to our results, significant turbulent transport of the α particles can appear only at energies of the order of 100 KeV. We determine the corresponding conditions.

Passive non-linear microrheology for determining extensional viscosity

NASA Astrophysics Data System (ADS)

Hsiao, Kai-Wen; Dinic, Jelena; Ren, Yi; Sharma, Vivek; Schroeder, Charles M.

2017-12-01

Extensional viscosity is a key property of complex fluids that greatly influences the non-equilibrium behavior and processing of polymer solutions, melts, and colloidal suspensions. In this work, we use microfluidics to determine steady extensional viscosity for polymer solutions by directly observing particle migration in planar extensional flow. Tracer particles are suspended in semi-dilute solutions of DNA and polyethylene oxide, and a Stokes trap is used to confine single particles in extensional flows of polymer solutions in a cross-slot device. Particles are observed to migrate in the direction transverse to flow due to normal stresses, and particle migration is tracked and quantified using a piezo-nanopositioning stage during the microfluidic flow experiment. Particle migration trajectories are then analyzed using a second-order fluid model that accurately predicts that migration arises due to normal stress differences. Using this analytical framework, extensional viscosities can be determined from particle migration experiments, and the results are in reasonable agreement with bulk rheological measurements of extensional viscosity based on a dripping-onto-substrate method. Overall, this work demonstrates that non-equilibrium properties of complex fluids can be determined by passive yet non-linear microrheology.

Applications of Quantum Theory of Atomic and Molecular Scattering to Problems in Hypersonic Flow

NASA Technical Reports Server (NTRS)

Malik, F. Bary

1995-01-01

The general status of a grant to investigate the applications of quantum theory in atomic and molecular scattering problems in hypersonic flow is summarized. Abstracts of five articles and eleven full-length articles published or submitted for publication are included as attachments. The following topics are addressed in these articles: fragmentation of heavy ions (HZE particles); parameterization of absorption cross sections; light ion transport; emission of light fragments as an indicator of equilibrated populations; quantum mechanical, optical model methods for calculating cross sections for particle fragmentation by hydrogen; evaluation of NUCFRG2, the semi-empirical nuclear fragmentation database; investigation of the single- and double-ionization of He by proton and anti-proton collisions; Bose-Einstein condensation of nuclei; and a liquid drop model in HZE particle fragmentation by hydrogen.

Assessment of Preconditioner for a USM3D Hierarchical Adaptive Nonlinear Method (HANIM) (Invited)

NASA Technical Reports Server (NTRS)

Pandya, Mohagna J.; Diskin, Boris; Thomas, James L.; Frink, Neal T.

2016-01-01

Enhancements to the previously reported mixed-element USM3D Hierarchical Adaptive Nonlinear Iteration Method (HANIM) framework have been made to further improve robustness, efficiency, and accuracy of computational fluid dynamic simulations. The key enhancements include a multi-color line-implicit preconditioner, a discretely consistent symmetry boundary condition, and a line-mapping method for the turbulence source term discretization. The USM3D iterative convergence for the turbulent flows is assessed on four configurations. The configurations include a two-dimensional (2D) bump-in-channel, the 2D NACA 0012 airfoil, a three-dimensional (3D) bump-in-channel, and a 3D hemisphere cylinder. The Reynolds Averaged Navier Stokes (RANS) solutions have been obtained using a Spalart-Allmaras turbulence model and families of uniformly refined nested grids. Two types of HANIM solutions using line- and point-implicit preconditioners have been computed. Additional solutions using the point-implicit preconditioner alone (PA) method that broadly represents the baseline solver technology have also been computed. The line-implicit HANIM shows superior iterative convergence in most cases with progressively increasing benefits on finer grids.

Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

PubMed Central

Ricci, Clarisse Gravina; Li, Bo; Cheng, Li-Tien; Dzubiella, Joachim; McCammon, J. Andrew

2018-01-01

Predicting solvation free energies and describing the complex water behavior that plays an important role in essentially all biological processes is a major challenge from the computational standpoint. While an atomistic, explicit description of the solvent can turn out to be too expensive in large biomolecular systems, most implicit solvent methods fail to capture “dewetting” effects and heterogeneous hydration by relying on a pre-established (i.e., guessed) solvation interface. Here we focus on the Variational Implicit Solvent Method, an implicit solvent method that adds water “plasticity” back to the picture by formulating the solvation free energy as a functional of all possible solvation interfaces. We survey VISM's applications to the problem of molecular recognition and report some of the most recent efforts to tailor VISM for more challenging scenarios, with the ultimate goal of including thermal fluctuations into the framework. The advances reported herein pave the way to make VISM a uniquely successful approach to characterize complex solvation properties in the recognition and binding of large-scale biomolecular complexes. PMID:29484300

Visual memories for perceived length are well preserved in older adults.

PubMed

Norman, J Farley; Holmin, Jessica S; Bartholomew, Ashley N

2011-09-15

Three experiments compared younger (mean age was 23.7years) and older (mean age was 72.1years) observers' ability to visually discriminate line length using both explicit and implicit standard stimuli. In Experiment 1, the method of constant stimuli (with an explicit standard) was used to determine difference thresholds, whereas the method of single stimuli (where the knowledge of the standard length was only implicit and learned from previous test stimuli) was used in Experiments 2 and 3. The study evaluated whether increases in age affect older observers' ability to learn, retain, and utilize effective implicit visual standards. Overall, the observers' length difference thresholds were 5.85% of the standard when the method of constant stimuli was used and improved to 4.39% of the standard for the method of single stimuli (a decrease of 25%). Both age groups performed similarly in all conditions. The results demonstrate that older observers retain the ability to create, remember, and utilize effective implicit standards from a series of visual stimuli. Copyright © 2011 Elsevier Ltd. All rights reserved.

Stability of and Changes in Implicit Motives. A Narrative Review of Empirical Studies

PubMed Central

Denzinger, Ferdinand; Brandstätter, Veronika

2018-01-01

Although growing research indicates that certain personality traits change over the lifespan, implicit motives are often deemed to be rather stable personality characteristics. Researchers have been interested in implicit motives for several decades, but our understanding of how these dispositions change still lacks clarity. This article gives an overview and a discussion of the current evidence for the stability of and the changes in implicit motives. After elaborating on the theoretical background of the motive construct and its measurement, we present an overview of studies that have investigated the trainability of implicit motives and their dispositional stability and changes using cross-sectional and longitudinal methods. Although the results are inconclusive concerning the direction of change, the reviewed studies suggest that implicit motives adapt to life circumstances much like other personality traits. This review sets out to contribute to a better understanding of the functioning of implicit motives and to present a roadmap for further research. PMID:29887818

Connecting Free Energy Surfaces in Implicit and Explicit Solvent: an Efficient Method to Compute Conformational and Solvation Free Energies

PubMed Central

Deng, Nanjie; Zhang, Bin W.; Levy, Ronald M.

2015-01-01

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions and protein-ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ~3 kcal/mol at only ~8 % of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the explicit/implicit thermodynamic cycle. PMID:26236174

Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

PubMed

Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

2015-06-09

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

Numerical boundary condition procedures and multigrid methods; Proceedings of the Symposium, NASA Ames Research Center, Moffett Field, CA, October 19-22, 1981

NASA Technical Reports Server (NTRS)

1982-01-01

Papers presented in this volume provide an overview of recent work on numerical boundary condition procedures and multigrid methods. The topics discussed include implicit boundary conditions for the solution of the parabolized Navier-Stokes equations for supersonic flows; far field boundary conditions for compressible flows; and influence of boundary approximations and conditions on finite-difference solutions. Papers are also presented on fully implicit shock tracking and on the stability of two-dimensional hyperbolic initial boundary value problems for explicit and implicit schemes.

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1982-01-01

The computational methods used to predict and optimize the thermal structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a different yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1983-01-01

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally-useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Self-organisation of semi-flexible rod-like particles

NASA Astrophysics Data System (ADS)

de Braaf, Bart; Oshima Menegon, Mariana; Paquay, Stefan; van der Schoot, Paul

2017-12-01

We report on a comprehensive computer simulation study of the liquid-crystal phase behaviour of purely repulsive, semi-flexible rod-like particles. For the four aspect ratios we consider, the particles form five distinct phases depending on their packing fraction and bending flexibility: the isotropic, nematic, smectic A, smectic B, and crystal phase. Upon increasing the particle bending flexibility, the various phase transitions shift to larger packing fractions. Increasing the aspect ratio achieves the opposite effect. We find two different ways in which the layer thickness of the particles in the smectic A phase may respond to an increase in concentration. The layer thickness may either decrease or increase depending on the aspect ratio and flexibility. For the smectic B and the crystalline phases, increasing the concentration always decreases the layer thickness. Finally, we find that the layer spacing jumps to a larger value on transitioning from the smectic A phase to the smectic B phase.

Parallel Higher-order Finite Element Method for Accurate Field Computations in Wakefield and PIC Simulations

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

Candel, A.; Kabel, A.; Lee, L.

Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell)more » approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.« less

Development and Verification of the Charring, Ablating Thermal Protection Implicit System Simulator

NASA Technical Reports Server (NTRS)

Amar, Adam J.; Calvert, Nathan; Kirk, Benjamin S.

2011-01-01

The development and verification of the Charring Ablating Thermal Protection Implicit System Solver (CATPISS) is presented. This work concentrates on the derivation and verification of the stationary grid terms in the equations that govern three-dimensional heat and mass transfer for charring thermal protection systems including pyrolysis gas flow through the porous char layer. The governing equations are discretized according to the Galerkin finite element method (FEM) with first and second order fully implicit time integrators. The governing equations are fully coupled and are solved in parallel via Newton s method, while the linear system is solved via the Generalized Minimum Residual method (GMRES). Verification results from exact solutions and Method of Manufactured Solutions (MMS) are presented to show spatial and temporal orders of accuracy as well as nonlinear convergence rates.

Vorticity-divergence semi-Lagrangian global atmospheric model SL-AV20: dynamical core

NASA Astrophysics Data System (ADS)

Tolstykh, Mikhail; Shashkin, Vladimir; Fadeev, Rostislav; Goyman, Gordey

2017-05-01

SL-AV (semi-Lagrangian, based on the absolute vorticity equation) is a global hydrostatic atmospheric model. Its latest version, SL-AV20, provides global operational medium-range weather forecast with 20 km resolution over Russia. The lower-resolution configurations of SL-AV20 are being tested for seasonal prediction and climate modeling. The article presents the model dynamical core. Its main features are a vorticity-divergence formulation at the unstaggered grid, high-order finite-difference approximations, semi-Lagrangian semi-implicit discretization and the reduced latitude-longitude grid with variable resolution in latitude. The accuracy of SL-AV20 numerical solutions using a reduced lat-lon grid and the variable resolution in latitude is tested with two idealized test cases. Accuracy and stability of SL-AV20 in the presence of the orography forcing are tested using the mountain-induced Rossby wave test case. The results of all three tests are in good agreement with other published model solutions. It is shown that the use of the reduced grid does not significantly affect the accuracy up to the 25 % reduction in the number of grid points with respect to the regular grid. Variable resolution in latitude allows us to improve the accuracy of a solution in the region of interest.

Valuing goat genetic resources: a pro-poor growth strategy in the Kenyan semi-arid tropics.

PubMed

Omondi, I A; Baltenweck, I; Drucker, A G; Obare, G A; Zander, K K

2008-12-01

Goats, "the poor man's cow", provide very important genetic resources that can be exploited for continued improvements of the livelihoods of poor livestock keepers in the semi-arid tropics. This study presents the evaluation of the economic values of goat genetic resources (GGRs) in terms of the important non-market traits embedded in goats and how this information can be utilised to improve livelihoods in semi-arid regions. The results obtained from mixed logit models derived from stated choice data collected from 314 respondents in the semi-arid Marsabit district of Kenya reveal that disease resistance is the most highly valued trait whose resultant augmentation results into a welfare improvement of up to KShs.2899. Drought tolerance and milk traits were found to be implicitly valued at KShs.2620 and 1179 respectively. The study further revealed that improvement in milk trait in does, body size and disease resistance traits in bucks, and drought tolerance trait in both does and bucks will collectively improve the producers' welfare hence should be given priority. However, improvement in the reproduction and production ("overall body condition/ meatiness" trait) potential of goats will be worthwhile only if issues concerning access to pasture and water resources are addressed prior and simultaneously.

Particle-laden Thin Film Flow: An Alternating Direction Implicit Scheme and Comparison between Theory, Numerical Simulations, and Experiments

DTIC Science & Technology

2011-01-01

instability and a dark particle-rich ridge at the front of the fluid can be observed. Figure 5.3 contains a series of plots each taken two minutes into... dark ridge at the front. However, it is also clear that the model does not quantita- tively reproduce this departure from self-similarity of the fluid...behaviors cluster in these diagrams, forming distinct bands. We use color to label these regime bands: white for settled, light for well-mixed, and dark

RELAP5-3D developmental assessment: Comparison of version 4.2.1i on Linux and Windows

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

Bayless, Paul D.

2014-06-01

Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code, version 4.2i, compiled on Linux and Windows platforms. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions differ between the Linux and Windows versions.

RELAP5-3D Developmental Assessment. Comparison of Version 4.3.4i on Linux and Windows

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

Bayless, Paul David

2015-10-01

Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code, version 4.3i, compiled on Linux and Windows platforms. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions differ between the Linux and Windows versions.

Integration of colloids into a semi-flexible network of fibrin.

PubMed

Bharadwaj, N Ashwin K; Kang, Jin Gu; Hatzell, Marta C; Schweizer, Kenneth S; Braun, Paul V; Ewoldt, Randy H

2017-02-15

Typical colloid-polymer composites have particle diameters much larger than the polymer mesh size, but successful integration of smaller colloids into a large-mesh network could allow for the realization of new colloidal states of spatial organization and faster colloid motion which can allow the possibility of switchable re-configuration of colloids or more dramatic stimuli-responsive property changes. Experimental realization of such composites requires solving non-trivial materials selection and fabrication challenges; key questions include composition regime maps of successful composites, the resulting structure and colloidal contact network, and the mechanical properties, in particular the ability to form a network and retain strain stiffening in the presence of colloids. Here, we study these fundamental questions by formulating composites with fluorescent (though not stimuli-responsive) carboxylate modified polystyrene/latex (CML) colloidal particles (diameters 200 nm and 1000 nm) in bovine fibrin networks (a semi-flexible biopolymer network with mesh size 1-5 μm). We describe and characterize two methods of composite preparation: adding colloids before fibrinogen polymerization (Method I), and electrophoretically driving colloids into a network already formed by fibrinogen polymerization (Method II). We directly image the morphology of colloidal and fibrous components with two-color fluorescent confocal microscopy under wet conditions and SEM of fixed dry samples. Mechanical properties are studied with shear and extensional rheology. Both fabrication methods are successful, though with trade-offs. Method I retains the nonlinear strain-stiffening and extensibility of the native fibrin network, but some colloid clustering is observed and fibrin network integrity is lost above a critical colloid concentration that depends on fibrinogen and thrombin concentration. Larger colloids can be included at higher volume fractions before massive aggregation occurs, indicating surface interactions as a limiting factor. Method II results in a loss of measurable strain-stiffening, but colloids are well dispersed and template along the fibrous scaffold. The results here, with insight into both structure and rheology, form a foundational understanding for the integration of other colloids, e.g. with stimuli-responsive functionalities, into semi-flexible networks.

Enhancing enterovirus A71 vaccine production yield by microcarrier profusion bioreactor culture.

PubMed

Liu, Chia-Chyi; Wu, Suh-Chin; Wu, Shang-Rung; Lin, Hsiao-Yu; Guo, Meng-Shin; Yung-Chih Hu, Alan; Chow, Yen-Hung; Chiang, Jen-Ron; Shieh, Dar-Bin; Chong, Pele

2018-05-24

Hand, foot and mouth diseases (HFMD) are mainly caused by Enterovirus A71 (EV-A71) infections. Clinical trials in Asia conducted with formalin-inactivated EV-A71 vaccine candidates produced from serum-free Vero cell culture using either roller bottle or cell factory technology, are found to be safe and highly efficacious. To increase vaccine yields and reduce the production costs, the bioprocess improvement for EV-A71 vaccine manufacturing is currently being investigated. The parameters that could affect and enhance the production yields of EV-A71 virus growth in the microcarrier bioreactor were investigated. The medium replacement culture strategy included a multi-harvested semi-batch process and perfusion technology and was found to increase the production yields more than 7-14 folds. Based on the western blot and cryo-EM analyses of the EV-A71 virus particles produced from either the multi-harvested semi-batch (MHSBC) or perfusion cultures were found to be similar to those virus particles obtained from the single batch culture. Mouse immunogenicity studies indicate that the EV-A71 vaccine candidates produced from the perfusion culture have similar potency to those obtained from single batch bioprocess. The physical structures of the EV-A71 particles revealed by the cryo-EM analysis were found to be spherical capsid particles. These results provide feasible technical bioprocesses for increasing virus yields and the scale up of EV-A71 vaccine manufacturing using the bioreactor cell culture methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adaptation of multidimensional group particle tracking and particle wall-boundary condition model to the FDNS code

NASA Technical Reports Server (NTRS)

Chen, Y. S.; Farmer, R. C.

1992-01-01

A particulate two-phase flow CFD model was developed based on the FDNS code which is a pressure based predictor plus multi-corrector Navier-Stokes flow solver. Turbulence models with compressibility correction and the wall function models were employed as submodels. A finite-rate chemistry model was used for reacting flow simulation. For particulate two-phase flow simulations, a Eulerian-Lagrangian solution method using an efficient implicit particle trajectory integration scheme was developed in this study. Effects of particle-gas reaction and particle size change to agglomeration or fragmentation were not considered in this investigation. At the onset of the present study, a two-dimensional version of FDNS which had been modified to treat Lagrangian tracking of particles (FDNS-2DEL) had already been written and was operational. The FDNS-2DEL code was too slow for practical use, mainly because it had not been written in a form amenable to vectorization on the Cray, nor was the full three-dimensional form of FDNS utilized. The specific objective of this study was to reorder to calculations into long single arrays for automatic vectorization on the Cray and to implement the full three-dimensional version of FDNS to produce the FDNS-3DEL code. Since the FDNS-2DEL code was slow, a very limited number of test cases had been run with it. This study was also intended to increase the number of cases simulated to verify and improve, as necessary, the particle tracking methodology coded in FDNS.

Controlled method of reducing electrophoretic mobility of macromolecules, particles, or cells

NASA Technical Reports Server (NTRS)

Vanalstine, James M. (Inventor)

1992-01-01

A method of reducing electrophoretic mobility of macromolecules, particles, cells, and other substances is provided which comprises interacting in a conventional electrophoretic separating procedure, the substances with a polymer-linked affinity compound comprised of a hydrophilic neutral polymer such as polyethylene glycol bound to a second component such as a hydrophobic compound, an immunocompound such as an antibody or antibody active fragment, or a ligand such as a hormone, drug, antigen, or a hapten. The reduction of electrophoretic mobility achieved is directly proportional to the concentration of the polymer-linked affinity compound employed, and such reduction can comprise up to 100 percent for particular particles and cells. The present invention is advantageous in that electrophoretic separation can now be achieved for substances whose native surface charge structure had prevented them from being separated by normal electrophoretic means. Depending on the affinity component utilized, separation can be achieved on the basis of the specific/irreversible, specific/reversible, semi-specific/reversible, relatively nonspecific/reversible, or relatively nonspecific/irreversible ligand-substance interactions.

Studies of numerical algorithms for gyrokinetics and the effects of shaping on plasma turbulence

NASA Astrophysics Data System (ADS)

Belli, Emily Ann

Advanced numerical algorithms for gyrokinetic simulations are explored for more effective studies of plasma turbulent transport. The gyrokinetic equations describe the dynamics of particles in 5-dimensional phase space, averaging over the fast gyromotion, and provide a foundation for studying plasma microturbulence in fusion devices and in astrophysical plasmas. Several algorithms for Eulerian/continuum gyrokinetic solvers are compared. An iterative implicit scheme based on numerical approximations of the plasma response is developed. This method reduces the long time needed to set-up implicit arrays, yet still has larger time step advantages similar to a fully implicit method. Various model preconditioners and iteration schemes, including Krylov-based solvers, are explored. An Alternating Direction Implicit algorithm is also studied and is surprisingly found to yield a severe stability restriction on the time step. Overall, an iterative Krylov algorithm might be the best approach for extensions of core tokamak gyrokinetic simulations to edge kinetic formulations and may be particularly useful for studies of large-scale ExB shear effects. The effects of flux surface shape on the gyrokinetic stability and transport of tokamak plasmas are studied using the nonlinear GS2 gyrokinetic code with analytic equilibria based on interpolations of representative JET-like shapes. High shaping is found to be a stabilizing influence on both the linear ITG instability and nonlinear ITG turbulence. A scaling of the heat flux with elongation of chi ˜ kappa-1.5 or kappa-2 (depending on the triangularity) is observed, which is consistent with previous gyrofluid simulations. Thus, the GS2 turbulence simulations are explaining a significant fraction, but not all, of the empirical elongation scaling. The remainder of the scaling may come from (1) the edge boundary conditions for core turbulence, and (2) the larger Dimits nonlinear critical temperature gradient shift due to the enhancement of zonal flows with shaping, which is observed with the GS2 simulations. Finally, a local linear trial function-based gyrokinetic code is developed to aid in fast scoping studies of gyrokinetic linear stability. This code is successfully benchmarked with the full GS2 code in the collisionless, electrostatic limit, as well as in the more general electromagnetic description with higher-order Hermite basis functions.

Characterizing Implicit Mental Health Associations across Clinical Domains

PubMed Central

Werntz, Alexandra J.; Steinman, Shari A.; Glenn, Jeffrey J.; Nock, Matthew K.; Teachman, Bethany A.

2016-01-01

Background and objectives Implicit associations are relatively uncontrollable associations between concepts in memory. The current investigation focuses on implicit associations in four mental health domains (alcohol use, anxiety, depression, and eating disorders) and how these implicit associations: a) relate to explicit associations and b) self-reported clinical symptoms within the same domains, and c) vary based on demographic characteristics (age, gender, race, ethnicity, and education). Methods Participants (volunteers over age 18 to a research website) completed implicit association (Implicit Association Tests), explicit association (self+psychopathology or attitudes toward food, using semantic differential items), and symptom measures at the Project Implicit Mental Health website tied to: alcohol use (N=12,387), anxiety (N=21,304), depression (N=24,126), or eating disorders (N=10,115). Results Within each domain, implicit associations showed small to moderate associations with explicit associations and symptoms, and predicted self-reported symptoms beyond explicit associations. In general, implicit association strength varied little by race and ethnicity, but showed small ties to age, gender, and education. Limitations This research was conducted on a public research and education website, where participants could take more than one of the studies. Conclusions Among a large and diverse sample, implicit associations in the four domains are congruent with explicit associations and self-reported symptoms, and also add to our prediction of self-reported symptoms over and above explicit associations, pointing to the potential future clinical utility and validity of using implicit association measures with diverse populations. PMID:26962979

Defensive function of persecutory delusion and discrepancy between explicit and implicit self-esteem in schizophrenia: study using the Brief Implicit Association Test

PubMed Central

Nakamura, Mitsuo; Hayakawa, Tomomi; Okamura, Aiko; Kohigashi, Mutsumi; Fukui, Kenji; Narumoto, Jin

2015-01-01

Background If delusions serve as a defense mechanism in schizophrenia patients with paranoia, then they should show normal or high explicit self-esteem and low implicit self-esteem. However, the results of previous studies are inconsistent. One possible explanation for this inconsistency is that there are two types of paranoia, “bad me” (self-blaming) paranoia and “poor me” (non-self-blaming) paranoia. We thus examined implicit and explicit self-esteem and self-blaming tendency in patients with schizophrenia and schizoaffective disorder. We hypothesized that patients with paranoia would show lower implicit self-esteem and only those with non-self-blaming paranoia would experience a discrepancy between explicit and implicit self-esteem. Methods Participants consisted of patients with schizophrenia and schizoaffective disorder recruited from a day hospital (N=71). Participants were assessed for psychotic symptoms, using the Brief Psychiatric Rating Scale (BPRS), and self-blaming tendency, using the brief COPE. We also assessed explicit self-esteem, using the Rosenberg Self-Esteem Scale (RSES), implicit self-esteem, using Brief Implicit Association Test (BIAT), and discrepancy between explicit and implicit self-esteem. Results Contrary to our hypothesis, implicit self-esteem in paranoia and nonparanoia showed no statistical difference. As expected, only patients with non-self-blaming paranoia experienced a discrepancy between explicit and implicit self-esteem; other groups showed no such discrepancy. Conclusion These results suggest that persecutory delusion plays a defensive role in non-self-blaming paranoia. PMID:25565849

An Algebraic Implicitization and Specialization of Minimum KL-Divergence Models

NASA Astrophysics Data System (ADS)

Dukkipati, Ambedkar; Manathara, Joel George

In this paper we study representation of KL-divergence minimization, in the cases where integer sufficient statistics exists, using tools from polynomial algebra. We show that the estimation of parametric statistical models in this case can be transformed to solving a system of polynomial equations. In particular, we also study the case of Kullback-Csisźar iteration scheme. We present implicit descriptions of these models and show that implicitization preserves specialization of prior distribution. This result leads us to a Gröbner bases method to compute an implicit representation of minimum KL-divergence models.

Implicit affectivity in patients with borderline personality disorder.

PubMed

Dukalski, Bibiana; Quirin, Markus; Kersting, Anette; Suslow, Thomas; Donges, Uta-Susan

2017-01-01

It has been argued that borderline personality disorder (BPD) is related to an enhanced affective reactivity. According to findings from research based on self-report, individuals with BPD develop and feel more negative and less positive affect than healthy individuals. Implicit affectivity, which can be measured using indirect assessment methods, relates to processes of the impulsive, intuitive system. In the present study, implicit and explicit affectivity was examined in patients suffering from BPD compared to healthy persons. Thirty-five women with BPD and 35 healthy women participated in the study. Implicit affectivity was assessed using the Implicit Positive and Negative Affect Test (IPANAT). Measures of explicit state and trait affectivity were also administered. BPD women had lower explicit positive state and trait affect scores and higher negative state and trait affect scores than healthy women. They had also lower implicit positive affect but they did not differ from healthy women regarding implicit negative affect. Total number of comorbid disorders was correlated with both implicit positive and implicit negative affect. According to our data, BPD patients exhibit reduced implicit positive affect as well as reduced explicit positive affect compared to healthy persons. According to our IPANAT data, BPD patients are characterized by a normal disposition to develop negative affective reactions which is in line with a number of findings from psycho-physiological research on BPD. Self-reports of negative affectivity in BPD could be biased by negative distortion.

Using implicit attitudes of exercise importance to predict explicit exercise dependence symptoms and exercise behaviors

PubMed Central

Forrest, Lauren N.; Smith, April R.; Fussner, Lauren M.; Dodd, Dorian R.; Clerkin, Elise M.

2015-01-01

Objectives ”Fast” (i.e., implicit) processing is relatively automatic; “slow” (i.e., explicit) processing is relatively controlled and can override automatic processing. These different processing types often produce different responses that uniquely predict behaviors. In the present study, we tested if explicit, self-reported symptoms of exercise dependence and an implicit association of exercise as important predicted exercise behaviors and change in problematic exercise attitudes. Design We assessed implicit attitudes of exercise importance and self-reported symptoms of exercise dependence at Time 1. Participants reported daily exercise behaviors for approximately one month, and then completed a Time 2 assessment of self-reported exercise dependence symptoms. Method Undergraduate males and females (Time 1, N = 93; Time 2, N = 74) tracked daily exercise behaviors for one month and completed an Implicit Association Test assessing implicit exercise importance and subscales of the Exercise Dependence Questionnaire (EDQ) assessing exercise dependence symptoms. Results Implicit attitudes of exercise importance and Time 1 EDQ scores predicted Time 2 EDQ scores. Further, implicit exercise importance and Time 1 EDQ scores predicted daily exercise intensity while Time 1 EDQ scores predicted the amount of days exercised. Conclusion Implicit and explicit processing appear to uniquely predict exercise behaviors and attitudes. Given that different implicit and explicit processes may drive certain exercise factors (e.g., intensity and frequency, respectively), these behaviors may contribute to different aspects of exercise dependence. PMID:26195916

Cryptanalysis of the Quantum Private Comparison Protocol Based on the Entanglement Swapping Between Three-Particle W-Class State and Bell State

NASA Astrophysics Data System (ADS)

Gao, Xiang; Zhang, Shi-Bin; Chang, Yan; Yang, Fan; Zhang, Yan

2018-02-01

Recently, Li et al. (Int. J. Theor. Phys. 55, 1710-1718, 2016) proposed a Quantum Private Comparison (QPC) protocol based on the Entanglement Swapping Between Three-Particle W-Class State and Bell State. Two parties can check whether their secret information is equal or not with the help of the semi-honest third party (TP). However in this paper, we will point out this kind of semi-honest TP is unreasonable. If we relax the constraint of the semi-honest TP, by using the fake signal attack, TP can know the whole secret information illegally. At last, we give our improvement, which can make this protocol more secure.

Cryptanalysis of the Quantum Private Comparison Protocol Based on the Entanglement Swapping Between Three-Particle W-Class State and Bell State

NASA Astrophysics Data System (ADS)

Gao, Xiang; Zhang, Shi-Bin; Chang, Yan; Yang, Fan; Zhang, Yan

2018-06-01

Recently, Li et al. (Int. J. Theor. Phys. 55, 1710-1718, 2016) proposed a Quantum Private Comparison (QPC) protocol based on the Entanglement Swapping Between Three-Particle W-Class State and Bell State. Two parties can check whether their secret information is equal or not with the help of the semi-honest third party (TP). However in this paper, we will point out this kind of semi-honest TP is unreasonable. If we relax the constraint of the semi-honest TP, by using the fake signal attack, TP can know the whole secret information illegally. At last, we give our improvement, which can make this protocol more secure.

Unsteady free convection flow past a semi-infinite vertical plate with constant heat flux in water based nanofluids

NASA Astrophysics Data System (ADS)

Narahari, Marneni

2018-04-01

The unsteady free convective flow of nanofluids past a semi-infinite vertical plate with uniform heat flux has been investigated numerically. An implicit finite difference technique of Crank-Nicolson scheme has been employed to solve the governing partial differential equations. Five different types of water based nanofluids containing Cu, Ag, Al2O3, CuO and TiO2 nanoparticles are considered to study the fluid flow characteristics with various time and solid volume fraction parameters. It is found that the local as well as the average Nusselt number for nanofluids is higher than the pure fluid (water). The local skin-friction is higher for pure fluid as compared to the nanofluids. The present numerical results obtained for local Nusselt number are validated with the previously published correlation results for a limiting case and it is found that the results are in good agreement.

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

NASA Astrophysics Data System (ADS)

Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

2018-06-01

A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

Interprofessional Collaboration and Turf Wars How Prevalent Are Hidden Attitudes?*

PubMed Central

Chung, Chadwick L. R.; Manga, Jasmin; McGregor, Marion; Michailidis, Christos; Stavros, Demetrios; Woodhouse, Linda J.

2012-01-01

Purpose: Interprofessional collaboration in health care is believed to enhance patient outcomes. However, where professions have overlapping scopes of practice (eg, chiropractors and physical therapists), "turf wars" can hinder effective collaboration. Deep-rooted beliefs, identified as implicit attitudes, provide a potential explanation. Even with positive explicit attitudes toward a social group, negative stereotypes may be influential. Previous studies on interprofessional attitudes have mostly used qualitative research methodologies. This study used quantitative methods to evaluate explicit and implicit attitudes of physical therapy students toward chiropractic. Methods: A paper-and-pencil instrument was developed and administered to 49 individuals (students and faculty) associated with a Canadian University master's entry-level physical therapy program after approval by the Research Ethics Board. The instrument evaluated explicit and implicit attitudes toward the chiropractic profession. Implicit attitudes were determined by comparing response times of chiropractic paired with positive versus negative descriptors. Results: Mean time to complete a word association task was significantly longer (t = 4.75, p =.00) when chiropractic was associated with positive rather than negative words. Explicit and implicit attitudes were not correlated (r = 0.13, p =.38). Conclusions: While little explicit bias existed, individuals associated with a master's entry-level physical therapy program appeared to have a significant negative implicit bias toward chiropractic PMID:22778528

Investigation of Removal Capacities of Biofilters for Airborne Viable Micro-Organisms

PubMed Central

Soret, Rémi; Fanlo, Jean-Louis; Malhautier, Luc; Geiger, Philippe; Bayle, Sandrine

2018-01-01

New emerging issues appears regarding the possible aerosolization of micro-organisms from biofilters to the ambient air. Traditional bioaerosol sampling and cultural methods used in literature offer relative efficiencies. In this study, a new method revolving around a particle counter capable of detecting total and viable particles in real time was used. This counter (BioTrak 9510-BD) uses laser-induced fluorescence (LIF) technology to determine the biological nature of the particle. The concentration of viable particles was measured on two semi-industrial pilot scale biofilters in order to estimate the Removal Efficiency in viable particles (REvp) in stable conditions and to examine the influence of pollutant feeding and relative humidification of the gaseous effluent on the REvp. The REvp of biofilters reached near 80% and highlighted both the stability of that removal and the statistical equivalence between two identical biofilters. Pollutant deprivation periods of 12 h, 48 h and 30 days were shown to have no influence on the biofilters’ removal capacity, demonstrating the robustness and adaptation capacities of the flora. In contrast, a 90-day famine period turned the biofilters into emitters of viable particles. Finally, the humidification of the effluent was shown to negatively influence the removal capacity for viable particles, as drying off the air was shown to increase the REvp from 60 to 85%. PMID:29562709

The Dynamical Classification of Centaurs which Evolve into Comets

NASA Astrophysics Data System (ADS)

Wood, Jeremy R.; Horner, Jonathan; Hinse, Tobias; Marsden, Stephen; Swinburne University of Technology

2016-10-01

Centaurs are small Solar system bodies with semi-major axes between Jupiter and Neptune and perihelia beyond Jupiter. Centaurs can be further subclassified into two dynamical categories - random walk and resonance hopping. Random walk Centaurs have mean square semi-major axes (< a2 >) which vary in time according to a generalized diffusion equation where < a2 > ~t2H. H is the Hurst exponent with 0 < H < 1, and t is time. The behavior of < a2 > for resonance hopping Centaurs is not well described by generalized diffusion.The aim of this study is to determine which dynamical type of Centaur is most likely to evolve into each class of comet. 31,722 fictional massless test particles were integrated for 3 Myr in the 6-body problem (Sun, Jovian planets, test particle). Initially each test particle was a member of one of four groups. The semi-major axes of all test particles in a group were clustered within 0.27 au from a first order, interior Mean Motion resonance of Neptune. The resonances were centered at 18.94 au, 22.95 au, 24.82 au and 28.37 au.If the perihelion of a test particle reached < 4 au then the test particle was considered to be a comet and classified as either a random walk or resonance hopping Centaur. The results showed that over 4,000 test particles evolved into comets within 3 Myr. 59% of these test particles were random walk and 41% were resonance hopping. The behavior of the semi-major axis in time was usually well described by generalized diffusion for random walk Centaurs (ravg = 0.98) and poorly described for resonance hopping Centaurs (ravg = 0.52). The average Hurst exponent was 0.48 for random walk Centaurs and 0.20 for resonance hopping Centaurs. Random walk Centaurs were more likely to evolve into short period comets while resonance hopping Centaurs were more likely to evolve into long period comets. For each initial cluster, resonance hopping Centaurs took longer to evolve into comets than random walk Centaurs. Overall the population of random walk Centaurs averaged 143 kyr to evolve into comets, and the population of resonance hopping Centaurs averaged 164 kyr.

A transient FETI methodology for large-scale parallel implicit computations in structural mechanics

NASA Technical Reports Server (NTRS)

Farhat, Charbel; Crivelli, Luis; Roux, Francois-Xavier

1992-01-01

Explicit codes are often used to simulate the nonlinear dynamics of large-scale structural systems, even for low frequency response, because the storage and CPU requirements entailed by the repeated factorizations traditionally found in implicit codes rapidly overwhelm the available computing resources. With the advent of parallel processing, this trend is accelerating because explicit schemes are also easier to parallelize than implicit ones. However, the time step restriction imposed by the Courant stability condition on all explicit schemes cannot yet -- and perhaps will never -- be offset by the speed of parallel hardware. Therefore, it is essential to develop efficient and robust alternatives to direct methods that are also amenable to massively parallel processing because implicit codes using unconditionally stable time-integration algorithms are computationally more efficient when simulating low-frequency dynamics. Here we present a domain decomposition method for implicit schemes that requires significantly less storage than factorization algorithms, that is several times faster than other popular direct and iterative methods, that can be easily implemented on both shared and local memory parallel processors, and that is both computationally and communication-wise efficient. The proposed transient domain decomposition method is an extension of the method of Finite Element Tearing and Interconnecting (FETI) developed by Farhat and Roux for the solution of static problems. Serial and parallel performance results on the CRAY Y-MP/8 and the iPSC-860/128 systems are reported and analyzed for realistic structural dynamics problems. These results establish the superiority of the FETI method over both the serial/parallel conjugate gradient algorithm with diagonal scaling and the serial/parallel direct method, and contrast the computational power of the iPSC-860/128 parallel processor with that of the CRAY Y-MP/8 system.

Fully implicit moving mesh adaptive algorithm

NASA Astrophysics Data System (ADS)

Chacon, Luis

2005-10-01

In many problems of interest, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. The former is best dealt with with fully implicit methods, which are able to step over fast frequencies to resolve the dynamical time scale of interest. The latter requires grid adaptivity for efficiency. Moving-mesh grid adaptive methods are attractive because they can be designed to minimize the numerical error for a given resolution. However, the required grid governing equations are typically very nonlinear and stiff, and of considerably difficult numerical treatment. Not surprisingly, fully coupled, implicit approaches where the grid and the physics equations are solved simultaneously are rare in the literature, and circumscribed to 1D geometries. In this study, we present a fully implicit algorithm for moving mesh methods that is feasible for multidimensional geometries. A crucial element is the development of an effective multilevel treatment of the grid equation.ootnotetextL. Chac'on, G. Lapenta, A fully implicit, nonlinear adaptive grid strategy, J. Comput. Phys., accepted (2005) We will show that such an approach is competitive vs. uniform grids both from the accuracy (due to adaptivity) and the efficiency standpoints. Results for a variety of models 1D and 2D geometries, including nonlinear diffusion, radiation-diffusion, Burgers equation, and gas dynamics will be presented.

Asymptotic integration algorithms for nonhomogeneous, nonlinear, first order, ordinary differential equations

NASA Technical Reports Server (NTRS)

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

1991-01-01

New methods for integrating systems of stiff, nonlinear, first order, ordinary differential equations are developed by casting the differential equations into integral form. Nonlinear recursive relations are obtained that allow the solution to a system of equations at time t plus delta t to be obtained in terms of the solution at time t in explicit and implicit forms. Examples of accuracy obtained with the new technique are given by considering systems of nonlinear, first order equations which arise in the study of unified models of viscoplastic behaviors, the spread of the AIDS virus, and predator-prey populations. In general, the new implicit algorithm is unconditionally stable, and has a Jacobian of smaller dimension than that which is acquired by current implicit methods, such as the Euler backward difference algorithm; yet, it gives superior accuracy. The asymptotic explicit and implicit algorithms are suitable for solutions that are of the growing and decaying exponential kinds, respectively, whilst the implicit Euler-Maclaurin algorithm is superior when the solution oscillates, i.e., when there are regions in which both growing and decaying exponential solutions exist.

Assessment of implicit sexual associations in non-incarcerated pedophiles.

PubMed

van Leeuwen, Matthijs L; van Baaren, Rick B; Chakhssi, Farid; Loonen, Marijke G M; Lippman, Maarten; Dijksterhuis, Ap

2013-11-01

Offences committed by pedophiles are crimes that evoke serious public concern and outrage. Although recent research using implicit measures has shown promise in detecting deviant sexual associations, the discriminatory and predictive quality of implicit tasks has not yet surpassed traditional assessment methods such as questionnaires and phallometry. The current research extended previous findings by examining whether a combination of two implicit tasks, the Implicit Association Task (IAT) and the Picture Association Task (PAT), was capable of differentiating pedophiles from non-pedophiles, and whether the PAT, which allows separate analysis for male, female, boy and girl stimulus categories, was more sensitive to specific sexual associations in pedophiles than the IAT. A total of 20 male self-reported pedophiles (10 offender and 10 non-offenders) and 20 male self-reported heterosexual controls completed the two implicit measures. Results indicated that the combination of both tasks produced the strongest results to date in detecting implicit pedophilic preferences (AUC = .97). Additionally, the PAT showed promise in decomposing the sexual associations in pedophiles. Interestingly, as there was an equal distribution of offenders and non-offenders in the pedophile group, it was possible to test for implicit association differences between these groups. This comparison showed no clear link between having these implicit sexual associations and actual offending.

An implicit adaptation algorithm for a linear model reference control system

NASA Technical Reports Server (NTRS)

Mabius, L.; Kaufman, H.

1975-01-01

This paper presents a stable implicit adaptation algorithm for model reference control. The constraints for stability are found using Lyapunov's second method and do not depend on perfect model following between the system and the reference model. Methods are proposed for satisfying these constraints without estimating the parameters on which the constraints depend.

An implicit fast Fourier transform method for integration of the time dependent Schrodinger equation

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

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

1997-12-31

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

Implicit and Explicit: An Experiment in Applied Psycholinguistics, Assessing Different Methods of Teaching Grammatical Structures in English as a Foreign Language.

ERIC Educational Resources Information Center

Olsson, Margareta

Project 3 of the GUME research project on foreign language teaching methods, in line with Projects 1 and 2, questions whether the best effect in language teaching is achieved solely by intensive drilling of the structure in question (the implicit method) or if grammatical explanations further the assimilation of the patterns so that, within the…

The properties and behavior of α-pinene secondary organic aerosol particles exposed to ammonia under dry conditions

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

Bell, David M.; Imre, Dan; T. Martin, Scot

Chemical transformations and aging of secondary organic aerosol (SOA) particles can alter their physical and chemical properties, including particle morphology. Ammonia, one of the common atmospheric reactive constituents, can react with SOA particles, changing their properties and behavior. At low relative humidity NH3 uptake by α-pinene SOA particles appears to be limited to the particle surface, which suggests that the reacted particles might not be homogeneous and have complex morphology. Here, we present a study aimed at detailed characterization of the effect of ammonia on the composition, density, morphology, shape, and evaporation kinetics of α-pinene SOA particles. We find thatmore » a small amount of NH3 diffuses and reacts throughout the particles bulk, while most of the ammoniated products result from the reaction of NH3 with carboxylic acids on the particle surface, leading to a slight increase in particle size. We show that the reaction products form a solid semi-volatile coating that is a few nanometers thick. This solid coating prevents coagulating particles from coalescing for over two days. However, when the gas phase is diluted this semi-volatile coating evaporates in minutes, which is ensued by rapid coalescence. The ammoniated products in the particle bulk affect particles evaporation kinetics, more so for the smaller particles that contain higher fraction of ammoniated products.« less

Reflective Random Indexing and indirect inference: a scalable method for discovery of implicit connections.

PubMed

Cohen, Trevor; Schvaneveldt, Roger; Widdows, Dominic

2010-04-01

The discovery of implicit connections between terms that do not occur together in any scientific document underlies the model of literature-based knowledge discovery first proposed by Swanson. Corpus-derived statistical models of semantic distance such as Latent Semantic Analysis (LSA) have been evaluated previously as methods for the discovery of such implicit connections. However, LSA in particular is dependent on a computationally demanding method of dimension reduction as a means to obtain meaningful indirect inference, limiting its ability to scale to large text corpora. In this paper, we evaluate the ability of Random Indexing (RI), a scalable distributional model of word associations, to draw meaningful implicit relationships between terms in general and biomedical language. Proponents of this method have achieved comparable performance to LSA on several cognitive tasks while using a simpler and less computationally demanding method of dimension reduction than LSA employs. In this paper, we demonstrate that the original implementation of RI is ineffective at inferring meaningful indirect connections, and evaluate Reflective Random Indexing (RRI), an iterative variant of the method that is better able to perform indirect inference. RRI is shown to lead to more clearly related indirect connections and to outperform existing RI implementations in the prediction of future direct co-occurrence in the MEDLINE corpus. 2009 Elsevier Inc. All rights reserved.

Robust boundary treatment for open-channel flows in divergence-free incompressible SPH

NASA Astrophysics Data System (ADS)

Pahar, Gourabananda; Dhar, Anirban

2017-03-01

A robust Incompressible Smoothed Particle Hydrodynamics (ISPH) framework is developed to simulate specified inflow and outflow boundary conditions for open-channel flow. Being purely divergence-free, the framework offers smoothed and structured pressure distribution. An implicit treatment of Pressure Poison Equation and Dirichlet boundary condition is applied on free-surface to minimize error in velocity-divergence. Beyond inflow and outflow threshold, multiple layers of dummy particles are created according to specified boundary condition. Inflow boundary acts as a soluble wave-maker. Fluid particles beyond outflow threshold are removed and replaced with dummy particles with specified boundary velocity. The framework is validated against different cases of open channel flow with different boundary conditions. The model can efficiently capture flow evolution and vortex generation for random geometry and variable boundary conditions.

Examining Implicit Attitudes towards Exercisers with a Physical Disability

PubMed Central

Dionne, Cassandra D.; Gainforth, Heather L.; O'Malley, Deborah A.; Latimer-Cheung, Amy E.

2013-01-01

Background. Using measures of explicit attitudes, physical activity status has been established as a factor that reduces the stigma able-bodied people hold towards people with physical disabilities. This phenomenon is called the exerciser stereotype. However, whether the exerciser stereotype exists when using measures of implicit attitudes remains unknown. Objective. The aims of this study were to evaluate the prevalence of negative implicit attitudes towards people with physical disabilities and determine whether implicit attitudes towards people with physical disabilities were influenced by the exerciser stereotype. Methods. One hundred able-bodied participants (82 females, 18 males) completed two implicit association tests (IATs): the Disability-Attitudes IAT and the Disability-Activity IAT. The Disability-Attitudes IAT measured implicit attitudes towards people who were not disabled relative to disabled; the Disability-Activity IAT measured attitudes towards people with a physical disability who were active relative to inactive. Results. Results revealed that 83.8% of participants had negative implicit attitudes towards people with a disability. Participants held more positive attitudes towards active versus inactive people with a physical disability. Conclusions. The study findings indicate that the exerciser stereotype exists implicitly and may undermine negative attitudes towards people with physical disabilities. PMID:23710142

AMITIS: A 3D GPU-Based Hybrid-PIC Model for Space and Plasma Physics

NASA Astrophysics Data System (ADS)

Fatemi, Shahab; Poppe, Andrew R.; Delory, Gregory T.; Farrell, William M.

2017-05-01

We have developed, for the first time, an advanced modeling infrastructure in space simulations (AMITIS) with an embedded three-dimensional self-consistent grid-based hybrid model of plasma (kinetic ions and fluid electrons) that runs entirely on graphics processing units (GPUs). The model uses NVIDIA GPUs and their associated parallel computing platform, CUDA, developed for general purpose processing on GPUs. The model uses a single CPU-GPU pair, where the CPU transfers data between the system and GPU memory, executes CUDA kernels, and writes simulation outputs on the disk. All computations, including moving particles, calculating macroscopic properties of particles on a grid, and solving hybrid model equations are processed on a single GPU. We explain various computing kernels within AMITIS and compare their performance with an already existing well-tested hybrid model of plasma that runs in parallel using multi-CPU platforms. We show that AMITIS runs ∼10 times faster than the parallel CPU-based hybrid model. We also introduce an implicit solver for computation of Faraday’s Equation, resulting in an explicit-implicit scheme for the hybrid model equation. We show that the proposed scheme is stable and accurate. We examine the AMITIS energy conservation and show that the energy is conserved with an error < 0.2% after 500,000 timesteps, even when a very low number of particles per cell is used.

Airborne soil organic particles generated by precipitation

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

Wang, Bingbing; Harder, Tristan H.; Kelly, Stephen T.

Airborne organic particles play a critical role in the Earth’s climate1, public health2, air quality3, and hydrological and carbon cycles4. These particles exist in liquid, amorphous semi-solid, or solid (glassy) phase states depending on their composition and ambient conditions5. However, sources and formation mechanisms for semi- solid and solid organic particles are poorly understood and typically neglected in atmospheric models6. Here we report field evidence for airborne solid organic particles generated by a “raindrop” mechanism7 pertinent to atmosphere – land surface interactions (Fig. 1). We find that after rain events at Southern Great Plains, Oklahoma, USA, submicron solid particles, withmore » a composition consistent with soil organic matter, contributed up to 60% of atmospheric particles in number. Subsequent experiments indicate that airborne soil organic particles are ejected from the surface of soils caused by intensive rains or irrigation. Our observations suggest that formation of these particles may be a widespread phenomenon in ecosystems where soils are exposed to strong, episodic precipitation events such as agricultural systems and grasslands8. Chemical imaging and micro-spectroscopy analysis of their physico-chemical properties suggests that airborne soil organic particles may have important impacts on cloud formation and efficiently absorb solar radiation and hence, are an important type of particles.« less

Parallelization of implicit finite difference schemes in computational fluid dynamics

NASA Technical Reports Server (NTRS)

Decker, Naomi H.; Naik, Vijay K.; Nicoules, Michel

1990-01-01

Implicit finite difference schemes are often the preferred numerical schemes in computational fluid dynamics, requiring less stringent stability bounds than the explicit schemes. Each iteration in an implicit scheme involves global data dependencies in the form of second and higher order recurrences. Efficient parallel implementations of such iterative methods are considerably more difficult and non-intuitive. The parallelization of the implicit schemes that are used for solving the Euler and the thin layer Navier-Stokes equations and that require inversions of large linear systems in the form of block tri-diagonal and/or block penta-diagonal matrices is discussed. Three-dimensional cases are emphasized and schemes that minimize the total execution time are presented. Partitioning and scheduling schemes for alleviating the effects of the global data dependencies are described. An analysis of the communication and the computation aspects of these methods is presented. The effect of the boundary conditions on the parallel schemes is also discussed.

Choice of implicit and explicit operators for the upwind differencing method

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Vanleer, Bram

1988-01-01

The flux-vector and flux-difference splittings of Steger-Warming, van Leer and Roe are tested in all possible combinations on the implicit and explicit operators that can be distinguished in implicit relaxation methods for the steady Euler and Navier-Stokes equations. The tests include one-dimensional inviscid nozzle flow, and two-dimensional inviscid and viscous shock reflection. Roe's splitting, as anticipated, is found to uniformly yield the most accurate results. On the other hand, an approximate Roe splitting of the implicit operator (the complete Roe splitting is too complicated for practical use) proves to be the least robust with regard to convergence to the steady state. In this respect, the Steger-Warming splitting is the most robust; it leads to convergence when combined with any of the splittings in the explicit operator, although not necessarily in the most efficient way.

Modeling of neutral entrainment in an FRC thruster

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

Brackbill, Jeremiah; Gimelshein, Natalia; Gimelshein, Sergey

2012-11-27

Neutral entrainment in a field reversed configuration thruster is modeled numerically with an implicit PIC code extended to include thermal and chemical interactions between plasma and neutral particles. The contribution of charge exchange and electron impact ionization reactions is analyzed, and the sensitivity of the entrainment efficiency to the plasmoid translation velocity and neutral density is evaluated.

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

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

Adams, Mark F.; Samtaney, Ravi, E-mail: samtaney@pppl.go; Brandt, Achi

2010-09-01

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations - so-called 'textbook' multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss-Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

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

Adams, Mark F.; Samtaney, Ravi; Brandt, Achi

2010-09-01

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations – so-called ‘‘textbook” multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss–Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

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

Adams, Mark F.; Samtaney, Ravi; Brandt, Achi

2013-12-14

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations – so-called “textbook” multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss-Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

The chemical and oxidation characteristics of semi-dry flue gas desulfurization ash from a steel factory.

PubMed

Liu, Ren-ping; Guo, Bin; Ren, Ailing; Bian, Jing-feng

2010-10-01

Some samples of semi-dry flue gas desulfurization (FGD) ash were taken from sinter gas of a steel factory. Scanning electron microscope (SEM) and X-ray diffraction (XRD) analyses were employed to identify the samples in order to investigate their physical and chemical characteristics. The results show that semi-dry FGD ash from a steel factory is stable under atmospheric conditions. It has irregular shape, a smooth surface and loose construction. The size of FGD ash particles is around 0.5-25 µm, the average size is about 5 µm and the median diameter is 4.18 µm. Semi-dry FGD ash from a steel factory consists of CaSO₃, CaSO₄, CaCO₃, some amorphous vitreous material and unburned carbon. An experimental method was found to study the oxidation characteristics of ash. A prediction model of the oxidation efficiency was obtained based on response surface methodology. The results show that not only the temperature, but also gas:solid ratio, play an important role in influencing the oxidation efficiency. The interactions of the gas:solid ratio with temperature play an essential role. An improved response surface model was obtained which can be helpful to describe the degree of oxidation efficiency of semi-dry FGD ash.

Method of making metal matrix composites reinforced with ceramic particulates

DOEpatents

Cornie, James A.; Kattamis, Theodoulos; Chambers, Brent V.; Bond, Bruce E.; Varela, Raul H.

1989-01-01

Composite materials and methods for making such materials are disclosed in which dispersed ceramic particles are at chemical equilibrium with a base metal matrix, thereby permitting such materials to be remelted and subsequently cast or otherwise processed to form net weight parts and other finished (or semi-finished) articles while maintaining the microstructure and mechanical properties (e.g. wear resistance or hardness) of the original composite. The composite materials of the present invention are composed of ceramic particles in a base metal matrix. The ceramics are preferably carbides of titanium, zirconium, tungsten, molybdenum or other refractory metals. The base metal can be iron, nickel, cobalt, chromium or other high temperature metal and alloys thereof. For ferrous matrices, alloys suitable for use as the base metal include cast iron, carbon steels, stainless steels and iron-based superalloys.

Smart and Fragrant Garment via Surface Modification of Cotton Fabric With Cinnamon Oil/Stimuli Responsive PNIPAAm/Chitosan Nano Hydrogels.

PubMed

Bashari, Azadeh; Hemmatinejad, Nahid; Pourjavadi, Ali

2017-09-01

This paper deals with obtaining aromatherapic textiles via applying stimuli-responsive poly N-isopropyl acryl amide (PNIPAAm) /chitosan (PNCS) nano hydrogels containing cinnamon oil on cotton fabric and looks into the treated fabric characteristics as an antibacterial and temperature/pH responsive fabric. The semi-batch surfactant-free dispersion polymerization method was proposed to the synthesis of PNCS nano particles. The incorporation of modified β -cyclodextrin ( β -CD) into the PNCS nanohydrogel was performed in order to prepare a hydrophobic(cinnamon oil) carrier embedded in stimuli-responsive nanohydrogel. The β -CD postloading process of cinnamon oil in to the hydrogel nano particles was performed via ultrasonic bath and exhaustion methods. The antibacterial activity of the treated fabrics at different temperatures demonstrated the preparing new functional bio-antibacterial fabrics with temperature responsiveness.

Method of making metal matrix composites reinforced with ceramic particulates

DOEpatents

Cornie, J.A.; Kattamis, T.; Chambers, B.V.; Bond, B.E.; Varela, R.H.

1989-08-01

Composite materials and methods for making such materials are disclosed in which dispersed ceramic particles are at chemical equilibrium with a base metal matrix, thereby permitting such materials to be remelted and subsequently cast or otherwise processed to form net weight parts and other finished (or semi-finished) articles while maintaining the microstructure and mechanical properties (e.g. wear resistance or hardness) of the original composite. The composite materials of the present invention are composed of ceramic particles in a base metal matrix. The ceramics are preferably carbides of titanium, zirconium, tungsten, molybdenum or other refractory metals. The base metal can be iron, nickel, cobalt, chromium or other high temperature metal and alloys thereof. For ferrous matrices, alloys suitable for use as the base metal include cast iron, carbon steels, stainless steels and iron-based superalloys. 2 figs.

Symplectic integration of closed chain rigid body dynamics with internal coordinate equations of motion

NASA Astrophysics Data System (ADS)

Mazur, Alexey K.

1999-07-01

Internal coordinate molecular dynamics (ICMD) is a recent efficient method for modeling polymer molecules which treats them as chains of rigid bodies rather than ensembles of point particles as in Cartesian MD. Unfortunately, it is readily applicable only to linear or tree topologies without closed flexible loops. Important examples violating this condition are sugar rings of nucleic acids, proline residues in proteins, and also disulfide bridges. This paper presents the first complete numerical solution of the chain closure problem within the context of ICMD. The method combines natural implicit fixation of bond lengths and bond angles by the choice of internal coordinates with explicit constraints similar to Cartesian dynamics used to maintain the chain closure. It is affordable for large molecules and makes possible 3-5 times faster dynamics simulations of molecular systems with flexible rings, including important biological objects like nucleic acids and disulfide-bonded proteins.

Universal single level implicit algorithm for gasdynamics

NASA Technical Reports Server (NTRS)

Lombard, C. K.; Venkatapthy, E.

1984-01-01

A single level effectively explicit implicit algorithm for gasdynamics is presented. The method meets all the requirements for unconditionally stable global iteration over flows with mixed supersonic and supersonic zones including blunt body flow and boundary layer flows with strong interaction and streamwise separation. For hyperbolic (supersonic flow) regions the method is automatically equivalent to contemporary space marching methods. For elliptic (subsonic flow) regions, rapid convergence is facilitated by alternating direction solution sweeps which bring both sets of eigenvectors and the influence of both boundaries of a coordinate line equally into play. Point by point updating of the data with local iteration on the solution procedure at each spatial step as the sweeps progress not only renders the method single level in storage but, also, improves nonlinear accuracy to accelerate convergence by an order of magnitude over related two level linearized implicit methods. The method derives robust stability from the combination of an eigenvector split upwind difference method (CSCM) with diagonally dominant ADI(DDADI) approximate factorization and computed characteristic boundary approximations.

A new solution method for wheel/rail rolling contact.

PubMed

Yang, Jian; Song, Hua; Fu, Lihua; Wang, Meng; Li, Wei

2016-01-01

To solve the problem of wheel/rail rolling contact of nonlinear steady-state curving, a three-dimensional transient finite element (FE) model is developed by the explicit software ANSYS/LS-DYNA. To improve the solving speed and efficiency, an explicit-explicit order solution method is put forward based on analysis of the features of implicit and explicit algorithm. The solution method was first applied to calculate the pre-loading of wheel/rail rolling contact with explicit algorithm, and then the results became the initial conditions in solving the dynamic process of wheel/rail rolling contact with explicit algorithm as well. Simultaneously, the common implicit-explicit order solution method is used to solve the FE model. Results show that the explicit-explicit order solution method has faster operation speed and higher efficiency than the implicit-explicit order solution method while the solution accuracy is almost the same. Hence, the explicit-explicit order solution method is more suitable for the wheel/rail rolling contact model with large scale and high nonlinearity.

Probabilistic homogenization of random composite with ellipsoidal particle reinforcement by the iterative stochastic finite element method

NASA Astrophysics Data System (ADS)

Sokołowski, Damian; Kamiński, Marcin

2018-01-01

This study proposes a framework for determination of basic probabilistic characteristics of the orthotropic homogenized elastic properties of the periodic composite reinforced with ellipsoidal particles and a high stiffness contrast between the reinforcement and the matrix. Homogenization problem, solved by the Iterative Stochastic Finite Element Method (ISFEM) is implemented according to the stochastic perturbation, Monte Carlo simulation and semi-analytical techniques with the use of cubic Representative Volume Element (RVE) of this composite containing single particle. The given input Gaussian random variable is Young modulus of the matrix, while 3D homogenization scheme is based on numerical determination of the strain energy of the RVE under uniform unit stretches carried out in the FEM system ABAQUS. The entire series of several deterministic solutions with varying Young modulus of the matrix serves for the Weighted Least Squares Method (WLSM) recovery of polynomial response functions finally used in stochastic Taylor expansions inherent for the ISFEM. A numerical example consists of the High Density Polyurethane (HDPU) reinforced with the Carbon Black particle. It is numerically investigated (1) if the resulting homogenized characteristics are also Gaussian and (2) how the uncertainty in matrix Young modulus affects the effective stiffness tensor components and their PDF (Probability Density Function).

QUALITY CONTROL OF SEMI-CONTINUOUS MOBILITY SIZE-FRACTIONATED PARTICLE NUMBER CONCENTRATION DATA. (R827352)

EPA Science Inventory

Fine and ultrafine particles have been postulated to play an important role in the association between ambient particulate matters and adverse health effects. As part of the EPA Supersite Program, the Southern California Particle Center & Supersite has conducted a series o...

Full particle orbit effects in regular and stochastic magnetic fields

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

Ogawa, Shun; Cambon, Benjamin P.; Leoncini, Xavier

Here we present a numerical study of charged particle motion in a time-independent magnetic field in cylindrical geometry. The magnetic field model consists of an unperturbed reversed-shear (non-monotonic q-profile) helical part and a perturbation consisting of a superposition of modes. Contrary to most of the previous studies, the particle trajectories are computed by directly solving the full Lorentz force equations of motion in a six-dimensional phase space using a sixth-order, implicit, symplectic Gauss-Legendre method. The level of stochasticity in the particle orbits is diagnosed using averaged, effective Poincare sections. It is shown that when only one mode is present, themore » particle orbits can be stochastic even though the magnetic field line orbits are not stochastic (i.e., fully integrable). The lack of integrability of the particle orbits in this case is related to separatrix crossing and the breakdown of the global conservation of the magnetic moment. Some perturbation consisting of two modes creates resonance overlapping, leading to Hamiltonian chaos in magnetic field lines. Then, the particle orbits exhibit a nontrivial dynamics depending on their energy and pitch angle. It is shown that the regions where the particle motion is stochastic decrease as the energy increases. The non-monotonicity of the q-profile implies the existence of magnetic ITBs (internal transport barriers) which correspond to shearless flux surfaces located in the vicinity of the q-profile minimum. It is shown that depending on the energy, these magnetic ITBs might or might not confine particles. That is, magnetic ITBs act as an energy-dependent particle confinement filter. Magnetic field lines in reversed-shear configurations exhibit topological bifurcations (from homoclinic to heteroclinic) due to separatrix reconnection. Finally, we show that a similar but more complex scenario appears in the case of particle orbits that depend in a non-trivial way on the energy and pitch angle of the particles.« less

Full particle orbit effects in regular and stochastic magnetic fields

DOE PAGES

Ogawa, Shun; Cambon, Benjamin P.; Leoncini, Xavier; ...

2016-07-18

Here we present a numerical study of charged particle motion in a time-independent magnetic field in cylindrical geometry. The magnetic field model consists of an unperturbed reversed-shear (non-monotonic q-profile) helical part and a perturbation consisting of a superposition of modes. Contrary to most of the previous studies, the particle trajectories are computed by directly solving the full Lorentz force equations of motion in a six-dimensional phase space using a sixth-order, implicit, symplectic Gauss-Legendre method. The level of stochasticity in the particle orbits is diagnosed using averaged, effective Poincare sections. It is shown that when only one mode is present, themore » particle orbits can be stochastic even though the magnetic field line orbits are not stochastic (i.e., fully integrable). The lack of integrability of the particle orbits in this case is related to separatrix crossing and the breakdown of the global conservation of the magnetic moment. Some perturbation consisting of two modes creates resonance overlapping, leading to Hamiltonian chaos in magnetic field lines. Then, the particle orbits exhibit a nontrivial dynamics depending on their energy and pitch angle. It is shown that the regions where the particle motion is stochastic decrease as the energy increases. The non-monotonicity of the q-profile implies the existence of magnetic ITBs (internal transport barriers) which correspond to shearless flux surfaces located in the vicinity of the q-profile minimum. It is shown that depending on the energy, these magnetic ITBs might or might not confine particles. That is, magnetic ITBs act as an energy-dependent particle confinement filter. Magnetic field lines in reversed-shear configurations exhibit topological bifurcations (from homoclinic to heteroclinic) due to separatrix reconnection. Finally, we show that a similar but more complex scenario appears in the case of particle orbits that depend in a non-trivial way on the energy and pitch angle of the particles.« less

Full particle orbit effects in regular and stochastic magnetic fields

NASA Astrophysics Data System (ADS)

Ogawa, Shun; Cambon, Benjamin; Leoncini, Xavier; Vittot, Michel; del Castillo-Negrete, Diego; Dif-Pradalier, Guilhem; Garbet, Xavier

2016-07-01

We present a numerical study of charged particle motion in a time-independent magnetic field in cylindrical geometry. The magnetic field model consists of an unperturbed reversed-shear (non-monotonic q-profile) helical part and a perturbation consisting of a superposition of modes. Contrary to most of the previous studies, the particle trajectories are computed by directly solving the full Lorentz force equations of motion in a six-dimensional phase space using a sixth-order, implicit, symplectic Gauss-Legendre method. The level of stochasticity in the particle orbits is diagnosed using averaged, effective Poincare sections. It is shown that when only one mode is present, the particle orbits can be stochastic even though the magnetic field line orbits are not stochastic (i.e., fully integrable). The lack of integrability of the particle orbits in this case is related to separatrix crossing and the breakdown of the global conservation of the magnetic moment. Some perturbation consisting of two modes creates resonance overlapping, leading to Hamiltonian chaos in magnetic field lines. Then, the particle orbits exhibit a nontrivial dynamics depending on their energy and pitch angle. It is shown that the regions where the particle motion is stochastic decrease as the energy increases. The non-monotonicity of the q-profile implies the existence of magnetic ITBs (internal transport barriers) which correspond to shearless flux surfaces located in the vicinity of the q-profile minimum. It is shown that depending on the energy, these magnetic ITBs might or might not confine particles. That is, magnetic ITBs act as an energy-dependent particle confinement filter. Magnetic field lines in reversed-shear configurations exhibit topological bifurcations (from homoclinic to heteroclinic) due to separatrix reconnection. We show that a similar but more complex scenario appears in the case of particle orbits that depend in a non-trivial way on the energy and pitch angle of the particles.

Diagonally Implicit Runge-Kutta Methods for Ordinary Differential Equations. A Review

NASA Technical Reports Server (NTRS)

Kennedy, Christopher A.; Carpenter, Mark H.

2016-01-01

A review of diagonally implicit Runge-Kutta (DIRK) methods applied to rst-order ordinary di erential equations (ODEs) is undertaken. The goal of this review is to summarize the characteristics, assess the potential, and then design several nearly optimal, general purpose, DIRK-type methods. Over 20 important aspects of DIRKtype methods are reviewed. A design study is then conducted on DIRK-type methods having from two to seven implicit stages. From this, 15 schemes are selected for general purpose application. Testing of the 15 chosen methods is done on three singular perturbation problems. Based on the review of method characteristics, these methods focus on having a stage order of two, sti accuracy, L-stability, high quality embedded and dense-output methods, small magnitudes of the algebraic stability matrix eigenvalues, small values of aii, and small or vanishing values of the internal stability function for large eigenvalues of the Jacobian. Among the 15 new methods, ESDIRK4(3)6L[2]SA is recommended as a good default method for solving sti problems at moderate error tolerances.

A comparison of physician implicit racial bias towards adults versus children

PubMed Central

Johnson, Tiffani J.; Winger, Daniel G.; Hickey, Robert W.; Switzer, Galen E.; Miller, Elizabeth; Nguyen, Margaret B.; Saladino, Richard A.; Hausmann, Leslie R. M.

2016-01-01

Background and Objectives The general population and most physicians have implicit racial bias against black adults. Pediatricians also have implicit bias against black adults, albeit less than other specialties. There is no published research on the implicit racial attitudes of pediatricians or other physicians towards children. Our objectives were to compare implicit racial bias towards adults versus children among resident physicians working in a pediatric emergency department (ED), and to assess whether bias varied by specialty (pediatrics, emergency medicine, or other), gender, race, age, and year of training. Methods We measured implicit racial bias of residents before a pediatric ED shift using the Adult and Child Race Implicit Association Tests (IATs). Generalized linear models compared Adult and Child IAT scores and determined the association of participant demographics with Adult and Child IAT scores. Results Among 91 residents, we found moderate pro-white/anti-black bias on both the Adult (M=0.49, SD=0.34) and Child Race IAT (M=0.55, SD=0.37). There was no significant difference between Adult and Child Race IAT scores (difference=0.06, p=0.15). Implicit bias was not associated with resident demographic characteristics, including specialty. Conclusions This is the first study demonstrating that resident physicians have implicit racial bias against black children, similar to levels of bias against black adults. Bias in our study did not vary by resident demographic characteristics, including specialty, suggesting that pediatric residents are as susceptible as other physicians to implicit bias. Future studies are needed to explore how physicians’ implicit attitudes towards parents and children may impact inequities in pediatric healthcare. PMID:27620844

Numerical experiments with a symmetric high-resolution shock-capturing scheme

NASA Technical Reports Server (NTRS)

Yee, H. C.

1986-01-01

Characteristic-based explicit and implicit total variation diminishing (TVD) schemes for the two-dimensional compressible Euler equations have recently been developed. This is a generalization of recent work of Roe and Davis to a wider class of symmetric (non-upwind) TVD schemes other than Lax-Wendroff. The Roe and Davis schemes can be viewed as a subset of the class of explicit methods. The main properties of the present class of schemes are that they can be implicit, and, when steady-state calculations are sought, the numerical solution is independent of the time step. In a recent paper, a comparison of a linearized form of the present implicit symmetric TVD scheme with an implicit upwind TVD scheme originally developed by Harten and modified by Yee was given. Results favored the symmetric method. It was found that the latter is just as accurate as the upwind method while requiring less computational effort. Currently, more numerical experiments are being conducted on time-accurate calculations and on the effect of grid topology, numerical boundary condition procedures, and different flow conditions on the behavior of the method for steady-state applications. The purpose here is to report experiences with this type of scheme and give guidelines for its use.

Advancing parabolic operators in thermodynamic MHD models: Explicit super time-stepping versus implicit schemes with Krylov solvers

NASA Astrophysics Data System (ADS)

Caplan, R. M.; Mikić, Z.; Linker, J. A.; Lionello, R.

2017-05-01

We explore the performance and advantages/disadvantages of using unconditionally stable explicit super time-stepping (STS) algorithms versus implicit schemes with Krylov solvers for integrating parabolic operators in thermodynamic MHD models of the solar corona. Specifically, we compare the second-order Runge-Kutta Legendre (RKL2) STS method with the implicit backward Euler scheme computed using the preconditioned conjugate gradient (PCG) solver with both a point-Jacobi and a non-overlapping domain decomposition ILU0 preconditioner. The algorithms are used to integrate anisotropic Spitzer thermal conduction and artificial kinematic viscosity at time-steps much larger than classic explicit stability criteria allow. A key component of the comparison is the use of an established MHD model (MAS) to compute a real-world simulation on a large HPC cluster. Special attention is placed on the parallel scaling of the algorithms. It is shown that, for a specific problem and model, the RKL2 method is comparable or surpasses the implicit method with PCG solvers in performance and scaling, but suffers from some accuracy limitations. These limitations, and the applicability of RKL methods are briefly discussed.

Implicit-Explicit Time Integration Methods for Non-hydrostatic Atmospheric Models

NASA Astrophysics Data System (ADS)

Gardner, D. J.; Guerra, J. E.; Hamon, F. P.; Reynolds, D. R.; Ullrich, P. A.; Woodward, C. S.

2016-12-01

The Accelerated Climate Modeling for Energy (ACME) project is developing a non-hydrostatic atmospheric dynamical core for high-resolution coupled climate simulations on Department of Energy leadership class supercomputers. An important factor in computational efficiency is avoiding the overly restrictive time step size limitations of fully explicit time integration methods due to the stiffest modes present in the model (acoustic waves). In this work we compare the accuracy and performance of different Implicit-Explicit (IMEX) splittings of the non-hydrostatic equations and various Additive Runge-Kutta (ARK) time integration methods. Results utilizing the Tempest non-hydrostatic atmospheric model and the ARKode package show that the choice of IMEX splitting and ARK scheme has a significant impact on the maximum stable time step size as well as solution quality. Horizontally Explicit Vertically Implicit (HEVI) approaches paired with certain ARK methods lead to greatly improved runtimes. With effective preconditioning IMEX splittings that incorporate some implicit horizontal dynamics can be competitive with HEVI results. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-699187

Some observations on a new numerical method for solving Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Kumar, A.

1981-01-01

An explicit-implicit technique for solving Navier-Stokes equations is described which, is much less complex than other implicit methods. It is used to solve a complex, two-dimensional, steady-state, supersonic-flow problem. The computational efficiency of the method and the quality of the solution obtained from it at high Courant-Friedrich-Lewy (CFL) numbers are discussed. Modifications are discussed and certain observations are made about the method which may be helpful in using it successfully.

Implicit treatment of diffusion terms in lower-upper algorithms

NASA Technical Reports Server (NTRS)

Shih, T. I.-P.; Steinthorsson, E.; Chyu, W. J.

1993-01-01

A method is presented which allows diffusion terms to be treated implicitly in the lower-upper (LU) algorithm (which is a commonly used method for solving 'compressible' Euler and Navier-Stokes equations) so that the algorithm's good stability properties will not be impaired. The new method generalizes the concept of LU factorization from that associated with the sign of eigenvalues to that associated with backward- and forward-difference operators without regard to eigenvalues. The method is verified in a turbulent boundary layer study.

Modifications of the PCPT method for HJB equations

NASA Astrophysics Data System (ADS)

Kossaczký, I.; Ehrhardt, M.; Günther, M.

2016-10-01

In this paper we will revisit the modification of the piecewise constant policy timestepping (PCPT) method for solving Hamilton-Jacobi-Bellman (HJB) equations. This modification is called piecewise predicted policy timestepping (PPPT) method and if properly used, it may be significantly faster. We will quickly recapitulate the algorithms of PCPT, PPPT methods and of the classical implicit method and apply them on a passport option pricing problem with non-standard payoff. We will present modifications needed to solve this problem effectively with the PPPT method and compare the performance with the PCPT method and the classical implicit method.

Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems

PubMed Central

Yazdani, Alireza; Tartakovsky, Alexandre; Karniadakis, George Em

2015-01-01

We present a transport dissipative particle dynamics (tDPD) model for simulating mesoscopic problems involving advection-diffusion-reaction (ADR) processes, along with a methodology for implementation of the correct Dirichlet and Neumann boundary conditions in tDPD simulations. tDPD is an extension of the classic dissipative particle dynamics (DPD) framework with extra variables for describing the evolution of concentration fields. The transport of concentration is modeled by a Fickian flux and a random flux between tDPD particles, and the advection is implicitly considered by the movements of these Lagrangian particles. An analytical formula is proposed to relate the tDPD parameters to the effective diffusion coefficient. To validate the present tDPD model and the boundary conditions, we perform three tDPD simulations of one-dimensional diffusion with different boundary conditions, and the results show excellent agreement with the theoretical solutions. We also performed two-dimensional simulations of ADR systems and the tDPD simulations agree well with the results obtained by the spectral element method. Finally, we present an application of the tDPD model to the dynamic process of blood coagulation involving 25 reacting species in order to demonstrate the potential of tDPD in simulating biological dynamics at the mesoscale. We find that the tDPD solution of this comprehensive 25-species coagulation model is only twice as computationally expensive as the conventional DPD simulation of the hydrodynamics only, which is a significant advantage over available continuum solvers. PMID:26156459

Positive spaces, generalized semi-densities, and quantum interactions

NASA Astrophysics Data System (ADS)

Canarutto, Daniel

2012-03-01

The basics of quantum particle physics on a curved Lorentzian background are expressed in a formulation which has original aspects and exploits some non-standard mathematical notions. In particular, positive spaces and generalized semi-densities (in a distributional sense) are shown to link, in a natural way, discrete multi-particle spaces to distributional bundles of quantum states. The treatment of spinor and boson fields is partly original also from an algebraic point of view and suggests a non-standard approach to quantum interactions. The case of electroweak interactions provides examples.

Time integration algorithms for the two-dimensional Euler equations on unstructured meshes

NASA Technical Reports Server (NTRS)

Slack, David C.; Whitaker, D. L.; Walters, Robert W.

1994-01-01

Explicit and implicit time integration algorithms for the two-dimensional Euler equations on unstructured grids are presented. Both cell-centered and cell-vertex finite volume upwind schemes utilizing Roe's approximate Riemann solver are developed. For the cell-vertex scheme, a four-stage Runge-Kutta time integration, a fourstage Runge-Kutta time integration with implicit residual averaging, a point Jacobi method, a symmetric point Gauss-Seidel method and two methods utilizing preconditioned sparse matrix solvers are presented. For the cell-centered scheme, a Runge-Kutta scheme, an implicit tridiagonal relaxation scheme modeled after line Gauss-Seidel, a fully implicit lower-upper (LU) decomposition, and a hybrid scheme utilizing both Runge-Kutta and LU methods are presented. A reverse Cuthill-McKee renumbering scheme is employed for the direct solver to decrease CPU time by reducing the fill of the Jacobian matrix. A comparison of the various time integration schemes is made for both first-order and higher order accurate solutions using several mesh sizes, higher order accuracy is achieved by using multidimensional monotone linear reconstruction procedures. The results obtained for a transonic flow over a circular arc suggest that the preconditioned sparse matrix solvers perform better than the other methods as the number of elements in the mesh increases.

Block Preconditioning to Enable Physics-Compatible Implicit Multifluid Plasma Simulations

NASA Astrophysics Data System (ADS)

Phillips, Edward; Shadid, John; Cyr, Eric; Miller, Sean

2017-10-01

Multifluid plasma simulations involve large systems of partial differential equations in which many time-scales ranging over many orders of magnitude arise. Since the fastest of these time-scales may set a restrictively small time-step limit for explicit methods, the use of implicit or implicit-explicit time integrators can be more tractable for obtaining dynamics at time-scales of interest. Furthermore, to enforce properties such as charge conservation and divergence-free magnetic field, mixed discretizations using volume, nodal, edge-based, and face-based degrees of freedom are often employed in some form. Together with the presence of stiff modes due to integrating over fast time-scales, the mixed discretization makes the required linear solves for implicit methods particularly difficult for black box and monolithic solvers. This work presents a block preconditioning strategy for multifluid plasma systems that segregates the linear system based on discretization type and approximates off-diagonal coupling in block diagonal Schur complement operators. By employing multilevel methods for the block diagonal subsolves, this strategy yields algorithmic and parallel scalability which we demonstrate on a range of problems.

A time-implicit numerical method and benchmarks for the relativistic Vlasov–Ampere equations

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

Carrie, Michael; Shadwick, B. A.

2016-01-04

Here, we present a time-implicit numerical method to solve the relativistic Vlasov–Ampere system of equations on a two dimensional phase space grid. The time-splitting algorithm we use allows the generalization of the work presented here to higher dimensions keeping the linear aspect of the resulting discrete set of equations. The implicit method is benchmarked against linear theory results for the relativistic Landau damping for which analytical expressions using the Maxwell-Juttner distribution function are derived. We note that, independently from the shape of the distribution function, the relativistic treatment features collective behaviors that do not exist in the non relativistic case.more » The numerical study of the relativistic two-stream instability completes the set of benchmarking tests.« less

A time-implicit numerical method and benchmarks for the relativistic Vlasov–Ampere equations

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

Carrié, Michael, E-mail: mcarrie2@unl.edu; Shadwick, B. A., E-mail: shadwick@mailaps.org

2016-01-15

We present a time-implicit numerical method to solve the relativistic Vlasov–Ampere system of equations on a two dimensional phase space grid. The time-splitting algorithm we use allows the generalization of the work presented here to higher dimensions keeping the linear aspect of the resulting discrete set of equations. The implicit method is benchmarked against linear theory results for the relativistic Landau damping for which analytical expressions using the Maxwell-Jüttner distribution function are derived. We note that, independently from the shape of the distribution function, the relativistic treatment features collective behaviours that do not exist in the nonrelativistic case. The numericalmore » study of the relativistic two-stream instability completes the set of benchmarking tests.« less

Reconstruction of instantaneous surface normal velocity of a vibrating structure using interpolated time-domain equivalent source method

NASA Astrophysics Data System (ADS)

Geng, Lin; Bi, Chuan-Xing; Xie, Feng; Zhang, Xiao-Zheng

2018-07-01

Interpolated time-domain equivalent source method is extended to reconstruct the instantaneous surface normal velocity of a vibrating structure by using the time-evolving particle velocity as the input, which provides a non-contact way to overall understand the instantaneous vibration behavior of the structure. In this method, the time-evolving particle velocity in the near field is first modeled by a set of equivalent sources positioned inside the vibrating structure, and then the integrals of equivalent source strengths are solved by an iterative solving process and are further used to calculate the instantaneous surface normal velocity. An experiment of a semi-cylindrical steel plate impacted by a steel ball is investigated to examine the ability of the extended method, where the time-evolving normal particle velocity and pressure on the hologram surface measured by a Microflown pressure-velocity probe are used as the inputs of the extended method and the method based on pressure measurements, respectively, and the instantaneous surface normal velocity of the plate measured by a laser Doppler vibrometry is used as the reference for comparison. The experimental results demonstrate that the extended method is a powerful tool to visualize the instantaneous surface normal velocity of a vibrating structure in both time and space domains and can obtain more accurate results than that of the method based on pressure measurements.