Solves the Multigroup Neutron Diffusion Equation
Energy Science and Technology Software Center (ESTSC)
1995-06-23
GNOMER is a program which solves the multigroup neutron diffusion equation in 1D, 2D and 3D cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks), as well as power distribution and homogenized cross sections over a fuel assembly.
Multigroup Complex Geometry Neutron Diffusion Code System.
Energy Science and Technology Software Center (ESTSC)
2002-12-18
Version 01 SNAP-3D is based on SNAP2 and is a one- two- or three-dimensional multigroup diffusion code system. It is primarily intended for neutron diffusion calculations, but it can also carry out gamma-ray calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP-3D can solve the multi-group neutron diffusion equations using finite difference methods in (x,y,z), (r,theta,z), (TRI,z), (HEX,z) or (spherical) coordinates.more » The one-dimensional slab and cylindrical geometries and the two-dimensional (x,y), (r,z), (r,theta), (HEX) and (TRI) are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. The problem classes are: 1) eigenvalue search for critical k-effective, 2) eigenvalue search for critical buckling, 3) eigenvalue search for critical time-constant, 4) fixed source problems in which the sources are functions of regions, 5) fixed source problems in which the sources are provided, on disc, for every mesh point and group.« less
950809 Charged particle transport updated multi-group diffusion
Corman, E.G.; Perkins, S.T.; Dairiki, N.T.
1995-09-01
In 1974, a charged particle transport scheme was introduced which utilized a multi-group diffusion method for the spatial transport and slowing down of energetic ions in a hot plasma. In this treatment a diffusion coefficient was used which was flux-limited to provide, hopefully, some degree of accuracy when the slowing down of an energetic charged particle is dominated by Coulomb collisions with thermal ions and electrons in a plasma medium. An advantage of this method was a very fast, memory-contained program for calculating the behavior of energetic charged particles which resulted in smoothly varying particle number densities and energy depositions. The main limitation of the original multi-group charged particle diffusion scheme is its constraint to a basic ten group structure; the same ten group structure for each of the five energetic ions tracked. This is regarded as a severe limitation, inasmuch as more groups would be desired to simulate more accurately the corresponding Monte Carlo results of energies deposited over spatial zones from a charged particle source. More generally, it seems preferable to have a different group structure for each particle type since they are created at inherently different energies. In this paper, the basic theory and multi-group description will be given. This is followed by the specific techniques that were used to solve the resultant equations. Finally, the modifications that were made to the cross section data as well as the methods used for energy and momentum deposition are described.
A Bayesian Approach for Multigroup Nonlinear Factor Analysis.
ERIC Educational Resources Information Center
Song, Xin-Yuan; Lee, Sik-Yum
2002-01-01
Developed a Bayesian approach for a general multigroup nonlinear factor analysis model that simultaneously obtains joint Bayesian estimates of the factor scores and the structural parameters subjected to some constraints across different groups. (SLD)
Multigroup 3-Dimensional Neutron Diffusion Nodal Code System with Thermohydraulic Feedbacks.
Energy Science and Technology Software Center (ESTSC)
1994-02-07
Version 01 GNOMER is a program which solves the multigroup neutron diffusion equation on coarse mesh in 1D, 2D, and 3D Cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks) as well as power distributions and homogenized cross sections over a fuel assembly.
A multigroup radiation diffusion test problem: Comparison of code results with analytic solution
Shestakov, A I; Harte, J A; Bolstad, J H; Offner, S R
2006-12-21
We consider a 1D, slab-symmetric test problem for the multigroup radiation diffusion and matter energy balance equations. The test simulates diffusion of energy from a hot central region. Opacities vary with the cube of the frequency and radiation emission is given by a Wien spectrum. We compare results from two LLNL codes, Raptor and Lasnex, with tabular data that define the analytic solution.
Energy Science and Technology Software Center (ESTSC)
1985-10-10
MARCOPOLO calculates the radial and axial diffusion coefficients in one-group and multi-group theory for a cylinderized cell (Wigner-Seitz theory) with several concentric zones according to the isotropic shock or linear anisotropic shock hypotheses.
1,2,3-D Diffusion Depletion Multi-Group
Energy Science and Technology Software Center (ESTSC)
1992-04-20
CITATION is designed to solve problems using the finite difference representation of neutron diffusion theory, treating up to three space dimensions with arbitrary group to group scattering. X-y-z, theta-r-z, hexagonal z, and triagonal z geometries may be treated. Depletion problems may be solved and fuel managed for multi-cycle analysis. Extensive first order perturbation results may be obtained given microscopic data and nuclide concentrations. Statics problems may be solved and perturbation results obtained with microscopic data.
Simulate-HEX - The multi-group diffusion equation in hexagonal-z geometry
Lindahl, S. O.
2013-07-01
The multigroup diffusion equation is solved for the hexagonal-z geometry by dividing each hexagon into 6 triangles. In each triangle, the Fourier solution of the wave equation is approximated by 8 plane waves to describe the intra-nodal flux accurately. In the end an efficient Finite Difference like equation is obtained. The coefficients of this equation depend on the flux solution itself and they are updated once per power/void iteration. A numerical example demonstrates the high accuracy of the method. (authors)
Converged accelerated finite difference scheme for the multigroup neutron diffusion equation
Terranova, N.; Mostacci, D.; Ganapol, B. D.
2013-07-01
Computer codes involving neutron transport theory for nuclear engineering applications always require verification to assess improvement. Generally, analytical and semi-analytical benchmarks are desirable, since they are capable of high precision solutions to provide accurate standards of comparison. However, these benchmarks often involve relatively simple problems, usually assuming a certain degree of abstract modeling. In the present work, we show how semi-analytical equivalent benchmarks can be numerically generated using convergence acceleration. Specifically, we investigate the error behavior of a 1D spatial finite difference scheme for the multigroup (MG) steady-state neutron diffusion equation in plane geometry. Since solutions depending on subsequent discretization can be envisioned as terms of an infinite sequence converging to the true solution, extrapolation methods can accelerate an iterative process to obtain the limit before numerical instability sets in. The obtained results have been compared to the analytical solution to the 1D multigroup diffusion equation when available, using FORTRAN as the computational language. Finally, a slowing down problem has been solved using a cascading source update, showing how a finite difference scheme performs for ultra-fine groups (104 groups) in a reasonable computational time using convergence acceleration. (authors)
NASA Technical Reports Server (NTRS)
Collier, G.
1967-01-01
Computer program VARI-QUIR 3 provides Gauss-Seidel type of solution with inner and outer iterations for steady-state, multigroup, two-dimensional neutron diffusion equations. The program has no restrictions on any of the input parameters such as the number of groups, regions, or materials.
Olson, Gordon L.
2011-08-20
Highlights: {yields} An existing multigroup transport algorithm is extended to be second-order in time. {yields} A new algorithm is presented that does not require a grey acceleration solution. {yields} The two algorithms are tested with 2D, multi-material problems. {yields} The two algorithms have comparable computational requirements. - Abstract: An existing solution method for solving the multigroup radiation equations, linear multifrequency-grey acceleration, is here extended to be second order in time. This method works for simple diffusion and for flux-limited diffusion, with or without material conduction. A new method is developed that does not require the solution of an averaged grey transport equation. It is effective solving both the diffusion and P{sub 1} forms of the transport equation. Two dimensional, multi-material test problems are used to compare the solution methods.
Hasan, M.Z.
1986-07-01
FENAT solves the two-dimensional energy dependent diffusion equation in Cartesian (X-Y) and cylindrical/toroidal (R-Z) coordinates. The boundary conditions allowed are: vacuum, reflection, albedo and surface source. The energy variable is treated by multigroup method. The resulting multigroup diffusion equation is solved by finite element Galerkin's method with triangular element discretization of the spatial domain. The algebraic matrix equation is solved by the direct method of Crout variation of Gauss' elimination. Dynamic memory allocation has been used so that the maximum problem size is limited by the size of active core storage of the machine. When necessary, the global matrix is stored in a binary disk file. FENAT is particularly suitable for the transport of neutral atoms in fusion plasmas.
VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system. Version 3
Shapiro, A.; Huria, H.C.; Cho, K.W.
1991-12-01
VENTURE/PC is a recompilation of part of the Oak Ridge BOLD VENTURE code system, which will operate on an IBM PC or compatible computer. Neutron diffusion theory solutions are obtained for multidimensional, multigroup problems. This manual contains information associated with operating the code system. The purpose of the various modules used in the code system, and the input for these modules are discussed. The PC code structure is also given. Version 2 included several enhancements not given in the original version of the code. In particular, flux iterations can be done in core rather than by reading and writing to disk, for problems which allow sufficient memory for such in-core iterations. This speeds up the iteration process. Version 3 does not include any of the special processors used in the previous versions. These special processors utilized formatted input for various elements of the code system. All such input data is now entered through the Input Processor, which produces standard interface files for the various modules in the code system. In addition, a Standard Interface File Handbook is included in the documentation which is distributed with the code, to assist in developing the input for the Input Processor.
VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system
Shapiro, A.; Huria, H.C.; Cho, K.W. )
1991-12-01
VENTURE/PC is a recompilation of part of the Oak Ridge BOLD VENTURE code system, which will operate on an IBM PC or compatible computer. Neutron diffusion theory solutions are obtained for multidimensional, multigroup problems. This manual contains information associated with operating the code system. The purpose of the various modules used in the code system, and the input for these modules are discussed. The PC code structure is also given. Version 2 included several enhancements not given in the original version of the code. In particular, flux iterations can be done in core rather than by reading and writing to disk, for problems which allow sufficient memory for such in-core iterations. This speeds up the iteration process. Version 3 does not include any of the special processors used in the previous versions. These special processors utilized formatted input for various elements of the code system. All such input data is now entered through the Input Processor, which produces standard interface files for the various modules in the code system. In addition, a Standard Interface File Handbook is included in the documentation which is distributed with the code, to assist in developing the input for the Input Processor.
Wang, Y.
2013-07-01
Nonlinear diffusion acceleration (NDA) can improve the performance of a neutron transport solver significantly especially for the multigroup eigenvalue problems. The high-order transport equation and the transport-corrected low-order diffusion equation form a nonlinear system in NDA, which can be solved via a Picard iteration. The consistency of the correction of the low-order equation is important to ensure the stabilization and effectiveness of the iteration. It also makes the low-order equation preserve the scalar flux of the high-order equation. In this paper, the consistent correction for a particular discretization scheme, self-adjoint angular flux (SAAF) formulation with discrete ordinates method (S{sub N}) and continuous finite element method (CFEM) is proposed for the multigroup neutron transport equation. Equations with the anisotropic scatterings and a void treatment are included. The Picard iteration with this scheme has been implemented and tested with RattleS{sub N}ake, a MOOSE-based application at INL. Convergence results are presented. (authors)
Shestakov, Aleksei I. Offner, Stella S.R.
2008-01-10
We present a scheme to solve the nonlinear multigroup radiation diffusion (MGD) equations. The method is incorporated into a massively parallel, multidimensional, Eulerian radiation-hydrodynamic code with Adaptive Mesh Refinement (AMR). The patch-based AMR algorithm refines in both space and time creating a hierarchy of levels, coarsest to finest. The physics modules are time-advanced using operator splitting. On each level, separate 'level-solve' packages advance the modules. Our multigroup level-solve adapts an implicit procedure which leads to a two-step iterative scheme that alternates between elliptic solves for each group with intra-cell group coupling. For robustness, we introduce pseudo transient continuation ({psi}tc). We analyze the magnitude of the {psi}tc parameter to ensure positivity of the resulting linear system, diagonal dominance and convergence of the two-step scheme. For AMR, a level defines a subdomain for refinement. For diffusive processes such as MGD, the refined level uses Dirichlet boundary data at the coarse-fine interface and the data is derived from the coarse level solution. After advancing on the fine level, an additional procedure, the sync-solve (SS), is required in order to enforce conservation. The MGD SS reduces to an elliptic solve on a combined grid for a system of G equations, where G is the number of groups. We adapt the 'partial temperature' scheme for the SS; hence, we reuse the infrastructure developed for scalar equations. Results are presented. We consider a multigroup test problem with a known analytic solution. We demonstrate utility of {psi}tc by running with increasingly larger timesteps. Lastly, we simulate the sudden release of energy Y inside an Al sphere (r = 15 cm) suspended in air at STP. For Y = 11 kT, we find that gray radiation diffusion and MGD produce similar results. However, if Y = 1 MT, the two packages yield different results. Our large Y simulation contradicts a long-standing theory and demonstrates
Shestakov, A I; Offner, S R
2007-03-02
We present a scheme to solve the nonlinear multigroup radiation diffusion (MGD) equations. The method is incorporated into a massively parallel, multidimensional, Eulerian radiation-hydrodynamic code with adaptive mesh refinement (AMR). The patch-based AMR algorithm refines in both space and time creating a hierarchy of levels, coarsest to finest. The physics modules are time-advanced using operator splitting. On each level, separate 'level-solve' packages advance the modules. Our multigroup level-solve adapts an implicit procedure which leads to a two-step iterative scheme that alternates between elliptic solves for each group with intra-cell group coupling. For robustness, we introduce pseudo transient continuation ({Psi}tc). We analyze the magnitude of the {Psi}tc parameter to ensure positivity of the resulting linear system, diagonal dominance and convergence of the two-step scheme. For AMR, a level defines a subdomain for refinement. For diffusive processes such as MGD, the refined level uses Dirichet boundary data at the coarse-fine interface and the data is derived from the coarse level solution. After advancing on the fine level, an additional procedure, the sync-solve (SS), is required in order to enforce conservation. The MGD SS reduces to an elliptic solve on a combined grid for a system of G equations, where G is the number of groups. We adapt the 'partial temperature' scheme for the SS; hence, we reuse the infrastructure developed for scalar equations. Results are presented. We consider a multigroup test problem with a known analytic solution. We demonstrate utility of {Psi}tc by running with increasingly larger timesteps. Lastly, we simulate the sudden release of energy Y inside an Al sphere (r = 15 cm) suspended in air at STP. For Y = 11 kT, we find that gray radiation diffusion and MGD produce similar results. However, if Y = 1 MT, the two packages yield different results. Our large Y simulation contradicts a long-standing theory and demonstrates
NASA Astrophysics Data System (ADS)
Shestakov, Aleksei I.; Offner, Stella S. R.
2008-01-01
We present a scheme to solve the nonlinear multigroup radiation diffusion (MGD) equations. The method is incorporated into a massively parallel, multidimensional, Eulerian radiation-hydrodynamic code with Adaptive Mesh Refinement (AMR). The patch-based AMR algorithm refines in both space and time creating a hierarchy of levels, coarsest to finest. The physics modules are time-advanced using operator splitting. On each level, separate "level-solve" packages advance the modules. Our multigroup level-solve adapts an implicit procedure which leads to a two-step iterative scheme that alternates between elliptic solves for each group with intra-cell group coupling. For robustness, we introduce pseudo transient continuation (Ψtc). We analyze the magnitude of the Ψtc parameter to ensure positivity of the resulting linear system, diagonal dominance and convergence of the two-step scheme. For AMR, a level defines a subdomain for refinement. For diffusive processes such as MGD, the refined level uses Dirichlet boundary data at the coarse-fine interface and the data is derived from the coarse level solution. After advancing on the fine level, an additional procedure, the sync-solve (SS), is required in order to enforce conservation. The MGD SS reduces to an elliptic solve on a combined grid for a system of G equations, where G is the number of groups. We adapt the "partial temperature" scheme for the SS; hence, we reuse the infrastructure developed for scalar equations. Results are presented. We consider a multigroup test problem with a known analytic solution. We demonstrate utility of Ψtc by running with increasingly larger timesteps. Lastly, we simulate the sudden release of energy Y inside an Al sphere (r = 15 cm) suspended in air at STP. For Y = 11 kT, we find that gray radiation diffusion and MGD produce similar results. However, if Y = 1 MT, the two packages yield different results. Our large Y simulation contradicts a long-standing theory and demonstrates the
Shestakov, A I; Offner, S R
2006-09-21
We present a scheme to solve the nonlinear multigroup radiation diffusion (MGD) equations. The method is incorporated into a massively parallel, multidimensional, Eulerian radiation-hydrodynamic code with adaptive mesh refinement (AMR). The patch-based AMR algorithm refines in both space and time creating a hierarchy of levels, coarsest to finest. The physics modules are time-advanced using operator splitting. On each level, separate 'level-solve' packages advance the modules. Our multigroup level-solve adapts an implicit procedure which leads to a two-step iterative scheme that alternates between elliptic solves for each group with intra-cell group coupling. For robustness, we introduce pseudo transient continuation ({Psi}tc). We analyze the magnitude of the {Psi}tc parameter to ensure positivity of the resulting linear system, diagonal dominance and convergence of the two-step scheme. For AMR, a level defines a subdomain for refinement. For diffusive processes such as MGD, the refined level uses Dirichet boundary data at the coarse-fine interface and the data is derived from the coarse level solution. After advancing on the fine level, an additional procedure, the sync-solve (SS), is required in order to enforce conservation. The MGD SS reduces to an elliptic solve on a combined grid for a system of G equations, where G is the number of groups. We adapt the 'partial temperature' scheme for the SS; hence, we reuse the infrastructure developed for scalar equations. Results are presented. We consider a multigroup test problem with a known analytic solution. We demonstrate utility of {Psi}tc by running with increasingly larger timesteps. Lastly, we simulate the sudden release of energy Y inside an Al sphere (r = 15 cm) suspended in air at STP. For Y = 11 kT, we find that gray radiation diffusion and MGD produce similar results. However, if Y = 1 MT, the two packages yield different results. Our large Y simulation contradicts a long-standing theory and demonstrates
Jones, Kelvyn; Johnston, Ron; Manley, David; Owen, Dewi; Charlton, Chris
2015-12-01
We develop and apply a multilevel modeling approach that is simultaneously capable of assessing multigroup and multiscale segregation in the presence of substantial stochastic variation that accompanies ethnicity rates based on small absolute counts. Bayesian MCMC estimation of a log-normal Poisson model allows the calculation of the variance estimates of the degree of segregation in a single overall model, and credible intervals are obtained to provide a measure of uncertainty around those estimates. The procedure partitions the variance at different levels and implicitly models the dependency (or autocorrelation) at each spatial scale below the topmost one. Substantively, we apply the model to 2011 census data for London, one of the world's most ethnically diverse cities. We find that the degree of segregation depends both on scale and group. PMID:26487190
An Extension of Implicit Monte Carlo Diffusion: Multigroup and The Difference Formulation
Cleveland, M A; Gentile, N; Palmer, T S
2010-04-19
Implicit Monte Carlo (IMC) and Implicit Monte Carlo Diffusion (IMD) are approaches to the numerical solution of the equations of radiative transfer. IMD was previously derived and numerically tested on grey, or frequency-integrated problems. In this research, we extend Implicit Monte Carlo Diffusion (IMD) to account for frequency dependence, and we implement the difference formulation as a source manipulation variance reduction technique. We derive the relevant probability distributions and present the frequency dependent IMD algorithm, with and without the difference formulation. The IMD code with and without the difference formulation was tested using both grey and frequency dependent benchmark problems. The Su and Olson semi-analytic Marshak wave benchmark was used to demonstrate the validity of the code for grey problems. The Su and Olson semi-analytic picket fence benchmark was used for the frequency dependent problems. The frequency dependent IMD algorithm reproduces the results of both Su and Olson benchmark problems. Frequency group refinement studies indicate that the computational cost of refining the group structure is likely less than that of group refinement in deterministic solutions of the radiation diffusion methods. Our results show that applying the difference formulation to the IMD algorithm can result in an overall increase in the figure of merit for frequency dependent problems. However, the creation of negatively weighted particles from the difference formulation can cause significant numerical instabilities in regions of the problem with sharp spatial gradients in the solution. An adaptive implementation of the difference formulation may be necessary to focus its use in regions that are at or near thermal equilibrium.
An extension of implicit Monte Carlo diffusion: Multigroup and the difference formulation
NASA Astrophysics Data System (ADS)
Cleveland, Mathew A.; Gentile, Nick A.; Palmer, Todd S.
2010-08-01
Implicit Monte Carlo (IMC) and Implicit Monte Carlo Diffusion (IMD) are approaches to the numerical solution of the equations of radiative transfer. IMD was previously derived and numerically tested on grey, or frequency-integrated problems [1]. In this research, we extend Implicit Monte Carlo Diffusion (IMD) to account for frequency dependence, and we implement the difference formulation[2] as a source manipulation variance reduction technique. We derive the relevant probability distributions and present the frequency dependent IMD algorithm, with and without the difference formulation. The IMD code with and without the difference formulation was tested using both grey and frequency dependent benchmark problems. The Su and Olson semi-analytic Marshak wave benchmark was used to demonstrate the validity of the code for grey problems [3]. The Su and Olson semi-analytic picket fence benchmark was used for the frequency dependent problems [4]. The frequency dependent IMD algorithm reproduces the results of both Su and Olson benchmark problems. Frequency group refinement studies indicate that the computational cost of refining the group structure is likely less than that of group refinement in deterministic solutions of the radiation diffusion methods. Our results show that applying the difference formulation to the IMD algorithm can result in an overall increase in the figure of merit for frequency dependent problems. However, the creation of negatively weighted particles from the difference formulation can cause significant numerical instabilities in regions of the problem with sharp spatial gradients in the solution. An adaptive implementation of the difference formulation may be necessary to focus its use in regions that are at or near thermal equilibrium.
The Suppression of Energy Discretization Errors in Multigroup Transport Calculations
Larsen, Edward
2013-06-17
The Objective of this project is to develop, implement, and test new deterministric methods to solve, as efficiently as possible, multigroup neutron transport problems having an extremely large number of groups. Our approach was to (i) use the standard CMFD method to "coarsen" the space-angle grid, yielding a multigroup diffusion equation, and (ii) use a new multigrid-in-space-and-energy technique to efficiently solve the multigroup diffusion problem. The overall strategy of (i) how to coarsen the spatial an energy grids, and (ii) how to navigate through the various grids, has the goal of minimizing the overall computational effort. This approach yields not only the fine-grid solution, but also coarse-group flux-weighted cross sections that can be used for other related problems.
A conservative multi-group approach to the Boltzmann equations for reactive gas mixtures
NASA Astrophysics Data System (ADS)
Bisi, M.; Rossani, A.; Spiga, G.
2015-11-01
Starting from a simple kinetic model for a quaternary mixture of gases undergoing a bimolecular chemical reaction, multi-group integro-differential equations are derived for the particle distribution functions of all species. The procedure takes advantage of a suitable probabilistic formulation, based on the underlying collision frequencies and transition probabilities, of the relevant reactive kinetic equations of Boltzmann type. Owing to an appropriate choice of a sufficiently large number of weight functions, it is shown that the proposed multi-group equations are able to fulfil exactly, at any order of approximation, the correct conservation laws that must be inherited from the original kinetic equations, where speed was a continuous variable. Future developments are also discussed.
Hybrid method of deterministic and probabilistic approaches for multigroup neutron transport problem
Lee, D.
2012-07-01
A hybrid method of deterministic and probabilistic methods is proposed to solve Boltzmann transport equation. The new method uses a deterministic method, Method of Characteristics (MOC), for the fast and thermal neutron energy ranges and a probabilistic method, Monte Carlo (MC), for the intermediate resonance energy range. The hybrid method, in case of continuous energy problem, will be able to take advantage of fast MOC calculation and accurate resonance self shielding treatment of MC method. As a proof of principle, this paper presents the hybrid methodology applied to a multigroup form of Boltzmann transport equation and confirms that the hybrid method can produce consistent results with MC and MOC methods. (authors)
CASTRO: A NEW COMPRESSIBLE ASTROPHYSICAL SOLVER. III. MULTIGROUP RADIATION HYDRODYNAMICS
Zhang, W.; Almgren, A.; Bell, J.; Howell, L.; Burrows, A.; Dolence, J.
2013-01-15
We present a formulation for multigroup radiation hydrodynamics that is correct to order O(v/c) using the comoving-frame approach and the flux-limited diffusion approximation. We describe a numerical algorithm for solving the system, implemented in the compressible astrophysics code, CASTRO. CASTRO uses a Eulerian grid with block-structured adaptive mesh refinement based on a nested hierarchy of logically rectangular variable-sized grids with simultaneous refinement in both space and time. In our multigroup radiation solver, the system is split into three parts: one part that couples the radiation and fluid in a hyperbolic subsystem, another part that advects the radiation in frequency space, and a parabolic part that evolves radiation diffusion and source-sink terms. The hyperbolic subsystem and the frequency space advection are solved explicitly with high-order Godunov schemes, whereas the parabolic part is solved implicitly with a first-order backward Euler method. Our multigroup radiation solver works for both neutrino and photon radiation.
CASTRO: A New Compressible Astrophysical Solver. III. Multigroup Radiation Hydrodynamics
NASA Astrophysics Data System (ADS)
Zhang, W.; Howell, L.; Almgren, A.; Burrows, A.; Dolence, J.; Bell, J.
2013-01-01
We present a formulation for multigroup radiation hydrodynamics that is correct to order O(v/c) using the comoving-frame approach and the flux-limited diffusion approximation. We describe a numerical algorithm for solving the system, implemented in the compressible astrophysics code, CASTRO. CASTRO uses a Eulerian grid with block-structured adaptive mesh refinement based on a nested hierarchy of logically rectangular variable-sized grids with simultaneous refinement in both space and time. In our multigroup radiation solver, the system is split into three parts: one part that couples the radiation and fluid in a hyperbolic subsystem, another part that advects the radiation in frequency space, and a parabolic part that evolves radiation diffusion and source-sink terms. The hyperbolic subsystem and the frequency space advection are solved explicitly with high-order Godunov schemes, whereas the parabolic part is solved implicitly with a first-order backward Euler method. Our multigroup radiation solver works for both neutrino and photon radiation.
MCNP: Multigroup/adjoint capabilities
Wagner, J.C.; Redmond, E.L. II; Palmtag, S.P.; Hendricks, J.S.
1994-04-01
This report discusses various aspects related to the use and validity of the general purpose Monte Carlo code MCNP for multigroup/adjoint calculations. The increased desire to perform comparisons between Monte Carlo and deterministic codes, along with the ever-present desire to increase the efficiency of large MCNP calculations has produced a greater user demand for the multigroup/adjoint capabilities. To more fully utilize these capabilities, we review the applications of the Monte Carlo multigroup/adjoint method, describe how to generate multigroup cross sections for MCNP with the auxiliary CRSRD code, describe how to use the multigroup/adjoint capability in MCNP, and provide examples and results indicating the effectiveness and validity of the MCNP multigroup/adjoint treatment. This information should assist users in taking advantage of the MCNP multigroup/adjoint capabilities.
A decision theoretical approach for diffusion promotion
NASA Astrophysics Data System (ADS)
Ding, Fei; Liu, Yun
2009-09-01
In order to maximize cost efficiency from scarce marketing resources, marketers are facing the problem of which group of consumers to target for promotions. We propose to use a decision theoretical approach to model this strategic situation. According to one promotion model that we develop, marketers balance between probabilities of successful persuasion and the expected profits on a diffusion scale, before making their decisions. In the other promotion model, the cost for identifying influence information is considered, and marketers are allowed to ignore individual heterogeneity. We apply the proposed approach to two threshold influence models, evaluate the utility of each promotion action, and provide discussions about the best strategy. Our results show that efforts for targeting influentials or easily influenced people might be redundant under some conditions.
A Diffusion Approach to Study Leadership Reform
ERIC Educational Resources Information Center
Adams, Curt M.; Jean-Marie, Gaetane
2011-01-01
Purpose: This study aims to draw on elements of diffusion theory to understand leadership reform. Many diffusion studies examine the spread of an innovation across social units but the objective is to examine diffusion of a collective leadership model within school units. Specifically, the strength of reform diffusion is tested to account for…
An approach towards a perfect thermal diffuser.
Vemuri, Krishna P; Bandaru, Prabhakar R
2016-01-01
A method for the most efficient removal of heat, through an anisotropic composite, is proposed. It is shown that a rational placement of constituent materials, in the radial and the azimuthal directions, at a given point in the composite yields a uniform temperature distribution in spherical diffusers. Such arrangement is accompanied by a very significant reduction of the source temperature, in principle, to infinitesimally above the ambient temperature and forms the basis for the design of a perfect thermal diffuser with maximal heat dissipation. Orders of magnitude enhanced performance, compared to that obtained through the use of a diffuser constituted from a single material with isotropic thermal conductivity has been observed and the analytical principles underlying the design were validated through extensive computational simulations. PMID:27404569
An approach towards a perfect thermal diffuser
NASA Astrophysics Data System (ADS)
Vemuri, Krishna P.; Bandaru, Prabhakar R.
2016-07-01
A method for the most efficient removal of heat, through an anisotropic composite, is proposed. It is shown that a rational placement of constituent materials, in the radial and the azimuthal directions, at a given point in the composite yields a uniform temperature distribution in spherical diffusers. Such arrangement is accompanied by a very significant reduction of the source temperature, in principle, to infinitesimally above the ambient temperature and forms the basis for the design of a perfect thermal diffuser with maximal heat dissipation. Orders of magnitude enhanced performance, compared to that obtained through the use of a diffuser constituted from a single material with isotropic thermal conductivity has been observed and the analytical principles underlying the design were validated through extensive computational simulations.
An approach towards a perfect thermal diffuser
Vemuri, Krishna P.; Bandaru, Prabhakar R.
2016-01-01
A method for the most efficient removal of heat, through an anisotropic composite, is proposed. It is shown that a rational placement of constituent materials, in the radial and the azimuthal directions, at a given point in the composite yields a uniform temperature distribution in spherical diffusers. Such arrangement is accompanied by a very significant reduction of the source temperature, in principle, to infinitesimally above the ambient temperature and forms the basis for the design of a perfect thermal diffuser with maximal heat dissipation. Orders of magnitude enhanced performance, compared to that obtained through the use of a diffuser constituted from a single material with isotropic thermal conductivity has been observed and the analytical principles underlying the design were validated through extensive computational simulations. PMID:27404569
Procedure to Generate the MPACT Multigroup Library
Kim, Kang Seog
2015-12-17
The CASL neutronics simulator MPACT is under development for the neutronics and T-H coupled simulation for the light water reactor. The objective of this document is focused on reviewing the current procedure to generate the MPACT multigroup library. Detailed methodologies and procedures are included in this document for further discussion to improve the MPACT multigroup library.
Application de la methode des sous-groupes au calcul Monte-Carlo multigroupe
NASA Astrophysics Data System (ADS)
Martin, Nicolas
effects of the scattering reaction consistent with the subgroup method. In this study, we generalize the Discrete Angle Technique, already proposed for homogeneous, multigroup cross sections, to isotopic cross sections on the form of probability tables. In this technique, the angular density is discretized into probability tables. Similarly to the cross-section case, a moment approach is used to compute the probability tables for the scattering cosine. (4) The introduction of a leakage model based on the B1 fundamental mode approximation. Unlike deterministic lattice packages, most Monte Carlo-based lattice physics codes do not include leakage models. However the generation of homogenized and condensed group constants (cross sections, diffusion coefficients) require the critical flux. This project has involved the development of a program into the DRAGON framework, written in Fortran 2003 and wrapped with a driver in C, the GANLIB 5. Choosing Fortran 2003 has permitted the use of some modern features, such as the definition of objects and methods, data encapsulation and polymorphism. The validation of the proposed code has been performed by comparison with other numerical methods: (1) The continuous-energy Monte Carlo method of the SERPENT code. (2) The Collision Probability (CP) method and the discrete ordinates (SN) method of the DRAGON lattice code. (3) The multigroup Monte Carlo code MORET, coupled with the DRAGON code. Benchmarks used in this work are representative of some industrial configurations encountered in reactor and criticality-safety calculations: (1)Pressurized Water Reactors (PWR) cells and assemblies. (2) Canada-Deuterium Uranium Reactors (CANDU-6) clusters. (3) Critical experiments from the ICSBEP handbook (International Criticality Safety Benchmark Evaluation Program).
Multigroup Reactor Lattice Cell Calculation
Energy Science and Technology Software Center (ESTSC)
1990-03-01
The Winfrith Improved Multigroup Scheme (WIMS), is a general code for reactor lattice cell calculations on a wide range of reactor systems. In particular, the code will accept rod or plate fuel geometries in either regular arrays or in clusters, and the energy group structure has been chosen primarily for thermal calculations. The basic library has been compiled with 14 fast groups, 13 resonance groups and 42 thermal groups, but the user is offered themore » choice of accurate solutions in many groups or rapid calculations in few groups. Temperature dependent thermal scattering matrices for a variety of scattering laws are available in the library for the principal moderators which include hydrogen, deuterium, graphite, beryllium and oxygen. WIMSD5 is a succesor version of WIMS-D/4.« less
A discretization of the multigroup PN radiative transfer equation on general meshes
NASA Astrophysics Data System (ADS)
Hermeline, F.
2016-05-01
We propose and study a finite volume method of discrete duality type for discretizing the multigroup PN approximation of radiative transfer equation on general meshes. This method is second order-accurate on a very large variety of meshes, stable under a Courant-Friedrichs-Lewy condition and it preserves naturally the diffusion asymptotic limit.
Asymptotic, multigroup flux reconstruction and consistent discontinuity factors
Trahan, Travis J.; Larsen, Edward W.
2015-05-12
Recent theoretical work has led to an asymptotically derived expression for reconstructing the neutron flux from lattice functions and multigroup diffusion solutions. The leading-order asymptotic term is the standard expression for flux reconstruction, i.e., it is the product of a shape function, obtained through a lattice calculation, and the multigroup diffusion solution. The first-order asymptotic correction term is significant only where the gradient of the diffusion solution is not small. Inclusion of this first-order correction term can significantly improve the accuracy of the reconstructed flux. One may define discontinuity factors (DFs) to make certain angular moments of the reconstructed fluxmore » continuous across interfaces between assemblies in 1-D. Indeed, the standard assembly discontinuity factors make the zeroth moment (scalar flux) of the reconstructed flux continuous. The inclusion of the correction term in the flux reconstruction provides an additional degree of freedom that can be used to make two angular moments of the reconstructed flux continuous across interfaces by using current DFs in addition to flux DFs. Thus, numerical results demonstrate that using flux and current DFs together can be more accurate than using only flux DFs, and that making the second angular moment continuous can be more accurate than making the zeroth moment continuous.« less
Asymptotic, multigroup flux reconstruction and consistent discontinuity factors
Trahan, Travis J.; Larsen, Edward W.
2015-05-12
Recent theoretical work has led to an asymptotically derived expression for reconstructing the neutron flux from lattice functions and multigroup diffusion solutions. The leading-order asymptotic term is the standard expression for flux reconstruction, i.e., it is the product of a shape function, obtained through a lattice calculation, and the multigroup diffusion solution. The first-order asymptotic correction term is significant only where the gradient of the diffusion solution is not small. Inclusion of this first-order correction term can significantly improve the accuracy of the reconstructed flux. One may define discontinuity factors (DFs) to make certain angular moments of the reconstructed flux continuous across interfaces between assemblies in 1-D. Indeed, the standard assembly discontinuity factors make the zeroth moment (scalar flux) of the reconstructed flux continuous. The inclusion of the correction term in the flux reconstruction provides an additional degree of freedom that can be used to make two angular moments of the reconstructed flux continuous across interfaces by using current DFs in addition to flux DFs. Thus, numerical results demonstrate that using flux and current DFs together can be more accurate than using only flux DFs, and that making the second angular moment continuous can be more accurate than making the zeroth moment continuous.
Analytical approach for collective diffusion: One-dimensional heterogeneous lattice
NASA Astrophysics Data System (ADS)
Tarasenko, Alexander
2016-04-01
Diffusion of particles adsorbed on the heterogeneous chain was investigated using a theoretical approach and Monte Carlo method. I present the derivation of the analytical expressions for the diffusion coefficients. This approach is based on the theory of the non-equilibrium statistical operator developed by Zubarev. The concentration dependencies of the center-of-mass and Fickian diffusion coefficients have been calculated for some representative values of lateral interactions between the adsorbed particles. The analytical dependencies are compared with the numerical data generated by the kinetic Monte Carlo simulation. The almost perfect coincidence of the data obtained by the two quite different methods clearly demonstrates the applicability of the approach for the investigations of the particle migration in the lattice gas systems.
Si, S.
2012-07-01
The Universal Algorithm of Stiffness Confinement Method (UASCM) for neutron kinetics model of multi-dimensional and multi-group transport equations or diffusion equations has been developed. The numerical experiments based on transport theory code MGSNM and diffusion theory code MGNEM have demonstrated that the algorithm has sufficient accuracy and stability. (authors)
Mapping diffusion in a living cell via the phasor approach.
Ranjit, Suman; Lanzano, Luca; Gratton, Enrico
2014-12-16
Diffusion of a fluorescent protein within a cell has been measured using either fluctuation-based techniques (fluorescence correlation spectroscopy (FCS) or raster-scan image correlation spectroscopy) or particle tracking. However, none of these methods enables us to measure the diffusion of the fluorescent particle at each pixel of the image. Measurement using conventional single-point FCS at every individual pixel results in continuous long exposure of the cell to the laser and eventual bleaching of the sample. To overcome this limitation, we have developed what we believe to be a new method of scanning with simultaneous construction of a fluorescent image of the cell. In this believed new method of modified raster scanning, as it acquires the image, the laser scans each individual line multiple times before moving to the next line. This continues until the entire area is scanned. This is different from the original raster-scan image correlation spectroscopy approach, where data are acquired by scanning each frame once and then scanning the image multiple times. The total time of data acquisition needed for this method is much shorter than the time required for traditional FCS analysis at each pixel. However, at a single pixel, the acquired intensity time sequence is short; requiring nonconventional analysis of the correlation function to extract information about the diffusion. These correlation data have been analyzed using the phasor approach, a fit-free method that was originally developed for analysis of FLIM images. Analysis using this method results in an estimation of the average diffusion coefficient of the fluorescent species at each pixel of an image, and thus, a detailed diffusion map of the cell can be created. PMID:25517145
Focal Cortical Dysplasia (FCD) lesion analysis with complex diffusion approach.
Rajan, Jeny; Kannan, K; Kesavadas, C; Thomas, Bejoy
2009-10-01
Identification of Focal Cortical Dysplasia (FCD) can be difficult due to the subtle MRI changes. Though sequences like FLAIR (fluid attenuated inversion recovery) can detect a large majority of these lesions, there are smaller lesions without signal changes that can easily go unnoticed by the naked eye. The aim of this study is to improve the visibility of focal cortical dysplasia lesions in the T1 weighted brain MRI images. In the proposed method, we used a complex diffusion based approach for calculating the FCD affected areas. Based on the diffused image and thickness map, a complex map is created. From this complex map; FCD areas can be easily identified. MRI brains of 48 subjects selected by neuroradiologists were given to computer scientists who developed the complex map for identifying the cortical dysplasia. The scientists were blinded to the MRI interpretation result of the neuroradiologist. The FCD could be identified in all the patients in whom surgery was done, however three patients had false positive lesions. More lesions were identified in patients in whom surgery was not performed and lesions were seen in few of the controls. These were considered as false positive. This computer aided detection technique using complex diffusion approach can help detect focal cortical dysplasia in patients with epilepsy. PMID:19560319
SOLVING PDES IN COMPLEX GEOMETRIES: A DIFFUSE DOMAIN APPROACH
LI, X.; LOWENGRUB, J.; RÄTZ, A.; VOIGT, A.
2011-01-01
We extend previous work and present a general approach for solving partial differential equations in complex, stationary, or moving geometries with Dirichlet, Neumann, and Robin boundary conditions. Using an implicit representation of the geometry through an auxilliary phase field function, which replaces the sharp boundary of the domain with a diffuse layer (e.g. diffuse domain), the equation is reformulated on a larger regular domain. The resulting partial differential equation is of the same order as the original equation, with additional lower order terms to approximate the boundary conditions. The reformulated equation can be solved by standard numerical techniques. We use the method of matched asymptotic expansions to show that solutions of the re-formulated equations converge to those of the original equations. We provide numerical simulations which confirm this analysis. We also present applications of the method to growing domains and complex three-dimensional structures and we discuss applications to cell biology and heteroepitaxy. PMID:21603084
Signal analysis approach to ultrasonic evaluation of diffusion bond quality
Chinn, D; Thomas, G
1999-06-08
Solid state bonds like the diffusion bond are attractive techniques for joining dissimilar materials since they are not prone to the defects that occur with fusion welding. Ultrasonic methods can detect the presence of totally unbonded regions but have difficulty sensing poor bonded areas where the substrates are in intimate contact. Standard ultrasonic imaging is based on amplitude changes in the signal reflected from the bond interface. Unfortunately amplitude alone is not sensitive to bond quality. We demonstrated that there is additional information in the ultrasonic signal that correlates with bond quality. In our approach we interrogated a set of dissimilar diffusion bonded samples with broad band ultrasonic signals. The signals were digitally processed and the characteristics of the signals that corresponded to bond quality were determined. These characteristics or features were processed with pattern recognition algorithms to produce predictions of bond quality. The predicted bond quality was then compared with the destructive measurement to assess the classification capability of the ultrasonic technique
Signal analysis approach to ultrasonic evaluation of diffusion bond quality
Thomas, Graham; Chinn, Diane
1999-12-02
Solid state bonds like the diffusion bond are attractive techniques for joining dissimilar materials since they are not prone to the defects that occur with fusion welding. Ultrasonic methods can detect the presence of totally unbonded regions but have difficulty sensing poor bonded areas where the substrates are in intimate contact. Standard ultrasonic imaging is based on amplitude changes in the signal reflected from the bond interface. Unfortunately, amplitude alone is not sensitive to bond quality. We demonstrated that there is additional information in the ultrasonic signal that correlates with bond quality. In our approach, we interrogated a set of dissimilar diffusion bonded samples with broad band ultrasonic signals. The signals were digitally processed and the characteristics of the signals that corresponded to bond quality were determined. These characteristics or features were processed with pattern recognition algorithms to produce predictions of bond quality. The predicted bond quality was then compared with the destructive measurement to assess the classification capability of the ultrasonic technique.
Model-free simulation approach to molecular diffusion tensors.
Chevrot, Guillaume; Hinsen, Konrad; Kneller, Gerald R
2013-10-21
In the present work, we propose a simple model-free approach for the computation of molecular diffusion tensors from molecular dynamics trajectories. The method uses a rigid body trajectory of the molecule under consideration, which is constructed a posteriori by an accumulation of quaternion-based superposition fits of consecutive conformations. From the rigid body trajectory, we compute the translational and angular velocities of the molecule and by integration of the latter also the corresponding angular trajectory. All quantities can be referred to the laboratory frame and a molecule-fixed frame. The 6 × 6 diffusion tensor is computed from the asymptotic slope of the tensorial mean square displacement and, for comparison, also from the Kubo integral of the velocity correlation tensor. The method is illustrated for two simple model systems - a water molecule and a lysozyme molecule in bulk water. We give estimations of the statistical accuracy of the calculations. PMID:24160503
Model-free simulation approach to molecular diffusion tensors
NASA Astrophysics Data System (ADS)
Chevrot, Guillaume; Hinsen, Konrad; Kneller, Gerald R.
2013-10-01
In the present work, we propose a simple model-free approach for the computation of molecular diffusion tensors from molecular dynamics trajectories. The method uses a rigid body trajectory of the molecule under consideration, which is constructed a posteriori by an accumulation of quaternion-based superposition fits of consecutive conformations. From the rigid body trajectory, we compute the translational and angular velocities of the molecule and by integration of the latter also the corresponding angular trajectory. All quantities can be referred to the laboratory frame and a molecule-fixed frame. The 6 × 6 diffusion tensor is computed from the asymptotic slope of the tensorial mean square displacement and, for comparison, also from the Kubo integral of the velocity correlation tensor. The method is illustrated for two simple model systems - a water molecule and a lysozyme molecule in bulk water. We give estimations of the statistical accuracy of the calculations.
EXTENSION OF THE 1D FOUR-GROUP ANALYTIC NODAL METHOD TO FULL MULTIGROUP
B. D. Ganapol; D. W. Nigg
2008-09-01
In the mid 80’s, a four-group/two-region, entirely analytical 1D nodal benchmark appeared. It was readily acknowledged that this special case was as far as one could go in terms of group number and still achieve an analytical solution. In this work, we show that by decomposing the solution to the multigroup diffusion equation into homogeneous and particular solutions, extension to any number of groups is a relatively straightforward exercise using the mathematics of linear algebra.
Parallel computation of multigroup reactivity coefficient using iterative method
NASA Astrophysics Data System (ADS)
Susmikanti, Mike; Dewayatna, Winter
2013-09-01
One of the research activities to support the commercial radioisotope production program is a safety research target irradiation FPM (Fission Product Molybdenum). FPM targets form a tube made of stainless steel in which the nuclear degrees of superimposed high-enriched uranium. FPM irradiation tube is intended to obtain fission. The fission material widely used in the form of kits in the world of nuclear medicine. Irradiation FPM tube reactor core would interfere with performance. One of the disorders comes from changes in flux or reactivity. It is necessary to study a method for calculating safety terrace ongoing configuration changes during the life of the reactor, making the code faster became an absolute necessity. Neutron safety margin for the research reactor can be reused without modification to the calculation of the reactivity of the reactor, so that is an advantage of using perturbation method. The criticality and flux in multigroup diffusion model was calculate at various irradiation positions in some uranium content. This model has a complex computation. Several parallel algorithms with iterative method have been developed for the sparse and big matrix solution. The Black-Red Gauss Seidel Iteration and the power iteration parallel method can be used to solve multigroup diffusion equation system and calculated the criticality and reactivity coeficient. This research was developed code for reactivity calculation which used one of safety analysis with parallel processing. It can be done more quickly and efficiently by utilizing the parallel processing in the multicore computer. This code was applied for the safety limits calculation of irradiated targets FPM with increment Uranium.
Parallel computation of multigroup reactivity coefficient using iterative method
Susmikanti, Mike; Dewayatna, Winter
2013-09-09
One of the research activities to support the commercial radioisotope production program is a safety research target irradiation FPM (Fission Product Molybdenum). FPM targets form a tube made of stainless steel in which the nuclear degrees of superimposed high-enriched uranium. FPM irradiation tube is intended to obtain fission. The fission material widely used in the form of kits in the world of nuclear medicine. Irradiation FPM tube reactor core would interfere with performance. One of the disorders comes from changes in flux or reactivity. It is necessary to study a method for calculating safety terrace ongoing configuration changes during the life of the reactor, making the code faster became an absolute necessity. Neutron safety margin for the research reactor can be reused without modification to the calculation of the reactivity of the reactor, so that is an advantage of using perturbation method. The criticality and flux in multigroup diffusion model was calculate at various irradiation positions in some uranium content. This model has a complex computation. Several parallel algorithms with iterative method have been developed for the sparse and big matrix solution. The Black-Red Gauss Seidel Iteration and the power iteration parallel method can be used to solve multigroup diffusion equation system and calculated the criticality and reactivity coeficient. This research was developed code for reactivity calculation which used one of safety analysis with parallel processing. It can be done more quickly and efficiently by utilizing the parallel processing in the multicore computer. This code was applied for the safety limits calculation of irradiated targets FPM with increment Uranium.
Density approach to ballistic anomalous diffusion: An exact analytical treatment
NASA Astrophysics Data System (ADS)
Bologna, Mauro; Ascolani, Gianluca; Grigolini, Paolo
2010-04-01
This paper addresses the problem of deriving the probability distribution density of a diffusion process generated by a nonergodic dichotomous fluctuation using the Liouville equation (density method). The velocity of the diffusing particles fluctuates from the value of 1 to the value of -1, and back, with the distribution density of time durations τ of the two states proportional to 1/τμ in the asymptotic time limit. The adopted density method allows us to establish an exact analytical expression for the probability distribution density of the diffusion process generated by these fluctuations. Contrary to intuitive expectations, the central part of the diffusion distribution density is not left empty when moving from μ >2 (ergodic condition) to μ <2 (nonergodic condition). The intuitive expectation is realized for μ <μcr, with μcr≈1.6. For values of μ >μcr, the monomodal distribution density with a minimum at the origin is turned into a bimodal one, with a central bump whose intensity increases for μ →2. The exact theoretical treatment applies to the asymptotic time limit, which establishes for the diffusion process the ballistic scaling value δ =1. To assess the time evolution toward this asymptotic time condition, we use a numerical approach which relates the emergence of the central bump at μ =μcr with the generation of the ordinary scaling δ =0.5, which lasts for larger and larger times for μ coming closer and closer to the critical value μ =2. We assign to the waiting time distribution density two different analytical forms: one derived from the Manneville intermittence (MI) theory and one from the Mittag-Leffler (ML) survival probability. The adoption of the ML waiting time distribution density generates an exact analytical prediction, whereas the MI method allows us to get the same asymptotic time limit as the ML one for μ <2 as a result of an approximation. The joint adoption of these two waiting time distribution densities sheds
The Approximate Number System Acuity Redefined: A Diffusion Model Approach
Park, Joonkoo; Starns, Jeffrey J.
2015-01-01
While all humans are capable of non-verbally representing numerical quantity using so-called the approximate number system (ANS), there exist considerable individual differences in its acuity. For example, in a non-symbolic number comparison task, some people find it easy to discriminate brief presentations of 14 dots from 16 dots while others do not. Quantifying individual ANS acuity from such a task has become an essential practice in the field, as individual differences in such a primitive number sense is thought to provide insights into individual differences in learned symbolic math abilities. However, the dominant method of characterizing ANS acuity—computing the Weber fraction (w)—only utilizes the accuracy data while ignoring response times (RT). Here, we offer a novel approach of quantifying ANS acuity by using the diffusion model, which accounts both accuracy and RT distributions. Specifically, the drift rate in the diffusion model, which indexes the quality of the stimulus information, is used to capture the precision of the internal quantity representation. Analysis of behavioral data shows that w is contaminated by speed-accuracy tradeoff, making it problematic as a measure of ANS acuity, while drift rate provides a measure more independent from speed-accuracy criterion settings. Furthermore, drift rate is a better predictor of symbolic math ability than w, suggesting a practical utility of the measure. These findings demonstrate critical limitations of the use of w and suggest clear advantages of using drift rate as a measure of primitive numerical competence. PMID:26733929
Parkinson's disease prediction using diffusion-based atlas approach
NASA Astrophysics Data System (ADS)
Teodorescu, Roxana O.; Racoceanu, Daniel; Smit, Nicolas; Cretu, Vladimir I.; Tan, Eng K.; Chan, Ling L.
2010-03-01
We study Parkinson's disease (PD) using an automatic specialized diffusion-based atlas. A total of 47 subjects, among who 22 patients diagnosed clinically with PD and 25 control cases, underwent DTI imaging. The EPIs have lower resolution but provide essential anisotropy information for the fiber tracking process. The two volumes of interest (VOI) represented by the Substantia Nigra and the Putamen are detected on the EPI and FA respectively. We use the VOIs for the geometry-based registration. We fuse the anatomical detail detected on FA image for the putamen volume with the EPI. After 3D fibers growing on the two volumes, we compute the fiber density (FD) and the fiber volume (FV). Furthermore, we compare patients based on the extracted fibers and evaluate them according to Hohen&Yahr (H&Y) scale. This paper introduces the method used for automatic volume detection and evaluates the fiber growing method on these volumes. Our approach is important from the clinical standpoint, providing a new tool for the neurologists to evaluate and predict PD evolution. From the technical point of view, the fusion approach deals with the tensor based information (EPI) and the extraction of the anatomical detail (FA and EPI).
A Note on Multigroup Comparisons Using SAS PROC CALIS
ERIC Educational Resources Information Center
Jones-Farmer, L. Allison; Pitts, Jennifer P.; Rainer, R. Kelly
2008-01-01
Although SAS PROC CALIS is not designed to perform multigroup comparisons, it is believed that SAS can be "tricked" into doing so for groups of equal size. At present, there are no comprehensive examples of the steps involved in performing a multigroup comparison in SAS. The purpose of this article is to illustrate these steps. We demonstrate…
Multigroup calculations using VIM: A user's guide to ISOVIM
Blomquist, R.N.
1992-09-01
Monte Carlo calculations have long been used to benchmark more a mate approximate solution methods for reactor physics problems. The power of VIM (ref 1) lies partly in the detailed geometrical representations incorporating the (generally) curved surfaces of combinatorial geometry, and partly in the fine energy detail of pointwise cross sections which are independent of the neutron spectrum. When differences arise between Monte Carlo and deterministic calculations, the question arises, is the error in the multigroup cross sections, in the treatment of transport effects, or in the mesh-based treatment of space in the deterministic calculation The answers may not be obvious, but may be identified by combining the exact geometry capability of VIM with the multigroup formalism. We can now run VIM in a multigroup mode by producing special VIM Material files which contain point-wise data describing multigroup data with histograms. This forces VIM to solve the multigroup problem with only three small code modifications. P[sub N] scattering is simulated with the usual tabulated angular distributions with 20 equally-sized scattering angle cosine meshes. This document describes the VIM multigroup capability, the procedures for generating multigroup cross sections for VIM, and their use. The multigroup cross section generating code, ISOVIM, is described, and benchmark testing is documented.
Coupled Diffusion in Lipid Bilayers upon Close Approach
2015-01-01
Biomembrane interfaces create regions of slowed water dynamics in their vicinity. When two lipid bilayers come together, this effect is further accentuated, and the associated slowdown can affect the dynamics of larger-scale processes such as membrane fusion. We have used molecular dynamics simulations to examine how lipid and water dynamics are affected as two lipid bilayers approach each other. These two interacting fluid systems, lipid and water, both slow and become coupled when the lipid membranes are separated by a thin water layer. We show in particular that the water dynamics become glassy, and diffusion of lipids in the apposed leaflets becomes coupled across the water layer, while the “outer” leaflets remain unaffected. This dynamic coupling between bilayers appears mediated by lipid–water–lipid hydrogen bonding, as it occurs at bilayer separations where water–lipid hydrogen bonds become more common than water–water hydrogen bonds. We further show that such coupling occurs in simulations of vesicle–vesicle fusion prior to the fusion event itself. Such altered dynamics at membrane–membrane interfaces may both stabilize the interfacial contact and slow fusion stalk formation within the interface region. PMID:25535654
Dearing, James W; Maibach, Edward W; Buller, David B
2006-10-01
Approaches from diffusion of innovations and social marketing are used here to propose efficient means to promote and enhance the dissemination of evidence-based physical activity programs. While both approaches have traditionally been conceptualized as top-down, center-to-periphery, centralized efforts at social change, their operational methods have usually differed. The operational methods of diffusion theory have a strong relational emphasis, while the operational methods of social marketing have a strong transactional emphasis. Here, we argue for a convergence of diffusion of innovation and social marketing principles to stimulate the efficient dissemination of proven-effective programs. In general terms, we are encouraging a focus on societal sectors as a logical and efficient means for enhancing the impact of dissemination efforts. This requires an understanding of complex organizations and the functional roles played by different individuals in such organizations. In specific terms, ten principles are provided for working effectively within societal sectors and enhancing user involvement in the processes of adoption and implementation. PMID:16979466
Multigroup neutron dose calculations for proton therapy
Kelsey Iv, Charles T; Prinja, Anil K
2009-01-01
We have developed tools for the preparation of coupled multigroup proton/neutron cross section libraries. Our method is to use NJOY to process evaluated nuclear data files for incident particles below 150 MeV and MCNPX to produce data for higher energies. We modified the XSEX3 program of the MCNPX code system to produce Legendre expansions of scattering matrices generated by sampling the physics models that are comparable to the output of the GROUPR routine of NJOY. Our code combines the low and high energy scattering data with user input stopping powers and energy deposition cross sections that we also calculated using MCNPX. Our code also calculates momentum transfer coefficients for the library and optionally applies an energy straggling model to the scattering cross sections and stopping powers. The motivation was initially for deterministic solution of space radiation shielding calculations using Attila, but noting that proton therapy treatment planning may neglect secondary neutron dose assessments because of difficulty and expense, we have also investigated the feasibility of multi group methods for this application. We have shown that multigroup MCNPX solutions for secondary neutron dose compare well with continuous energy solutions and are obtainable with less than half computational cost. This efficiency comparison neglects the cost of preparing the library data, but this becomes negligible when distributed over many multi group calculations. Our deterministic calculations illustrate recognized obstacles that may have to be overcome before discrete ordinates methods can be efficient alternatives for proton therapy neutron dose calculations.
Unified approach to the calculation of inertial corrections in diffusion
NASA Astrophysics Data System (ADS)
Steiger, Ulrich R.
1984-04-01
Inertial effects in diffusion due to the nonlinear equations of motion are investigated. The starting point is a Fokker-Planck equation for a general mechanical system with Lagrange function L = {1}/{2}g ij(q 1,…,q n)q iq j - U(q 1,…,q n) under the influence of random forces. The reduction to a description in position space is achieved by using the time ordered cumulant expansion and the boson operator representation. The first term of the expansion gives the Smoluchowski type diffusion equation. The next term leads to inertial corrections. This theory can be applied, for example, to the diffusion of N asymmetric molecules immersed in a fluid undergoing coupled translational and rotational diffusion and interacting via intermolecular and hydrodynamic forces. Comparison with the literature is presented.
Conservative Diffusions: a Constructive Approach to Nelson's Stochastic Mechanics.
NASA Astrophysics Data System (ADS)
Carlen, Eric Anders
In Nelson's stochastic mechanics, quantum phenomena are described in terms of diffusions instead of wave functions; this thesis is a study of that description. We emphasize that we are concerned here with the possibility of describing, as opposed to explaining, quantum phenomena in terms of diffusions. In this direction, the following questions arise: "Do the diffusions of stochastic mechanics--which are formally given by stochastic differential equations with extremely singular coefficients--really exist?" Given that they exist, one can ask, "Do these diffusions have physically reasonable sample path behavior, and can we use information about sample paths to study the behavior of physical systems?" These are the questions we treat in this thesis. In Chapter I we review stochastic mechanics and diffusion theory, using the Guerra-Morato variational principle to establish the connection with the Schroedinger equation. This chapter is largely expository; however, there are some novel features and proofs. In Chapter II we settle the first of the questions raised above. Using PDE methods, we construct the diffusions of stochastic mechanics. Our result is sufficiently general to be of independent mathematical interest. In Chapter III we treat potential scattering in stochastic mechanics and discuss direct probabilistic methods of studying quantum scattering problems. Our results provide a solid "Yes" in answer to the second question raised above.
Multigroup Free-atom Doppler-broadening Approximation. Theory
Gray, Mark Girard
2015-11-06
Multigroup cross sections at a one target temperature can be Doppler-broadened to multigroup cross sections at a higher target temperature by matrix multiplication if the group structure suf- ficiently resolves the original temperature continuous energy cross section. Matrix elements are the higher temperature group weighted averages of the integral over the lower temperature group boundaries of the free-atom Doppler-broadening kernel. The results match theory for constant and 1/v multigroup cross sections at 618 lanl group structure resolution.
A Multigroup Method for the Calculation of Neutron Fluence with a Source Term
NASA Technical Reports Server (NTRS)
Heinbockel, J. H.; Clowdsley, M. S.
1998-01-01
Current research on the Grant involves the development of a multigroup method for the calculation of low energy evaporation neutron fluences associated with the Boltzmann equation. This research will enable one to predict radiation exposure under a variety of circumstances. Knowledge of radiation exposure in a free-space environment is a necessity for space travel, high altitude space planes and satellite design. This is because certain radiation environments can cause damage to biological and electronic systems involving both short term and long term effects. By having apriori knowledge of the environment one can use prediction techniques to estimate radiation damage to such systems. Appropriate shielding can be designed to protect both humans and electronic systems that are exposed to a known radiation environment. This is the goal of the current research efforts involving the multi-group method and the Green's function approach.
Solves Multigroup Diffusion Equations in One-Dimensional Systems.
Energy Science and Technology Software Center (ESTSC)
1984-11-01
Version 00 UNIMUG3 determines the multiplication factor, fluxes, and adjoint fluxes. It permits variation of the volume of any one of the regions for determining the critical state and performs the adjoint flux calculation and critical size search.
Experimental approaches to kinetics of gas diffusion in hydrogenase
Leroux, Fanny; Dementin, Sébastien; Burlat, Bénédicte; Cournac, Laurent; Volbeda, Anne; Champ, Stéphanie; Martin, Lydie; Guigliarelli, Bruno; Bertrand, Patrick; Fontecilla-Camps, Juan; Rousset, Marc; Léger, Christophe
2008-01-01
Hydrogenases, which catalyze H2 to H+ conversion as part of the bioenergetic metabolism of many microorganisms, are among the metalloenzymes for which a gas-substrate tunnel has been described by using crystallography and molecular dynamics. However, the correlation between protein structure and gas-diffusion kinetics is unexplored. Here, we introduce two quantitative methods for probing the rates of diffusion within hydrogenases. One uses protein film voltammetry to resolve the kinetics of binding and release of the competitive inhibitor CO; the other is based on interpreting the yield in the isotope exchange assay. We study structurally characterized mutants of a NiFe hydrogenase, and we show that two mutations, which significantly narrow the tunnel near the entrance of the catalytic center, decrease the rates of diffusion of CO and H2 toward and from the active site by up to 2 orders of magnitude. This proves the existence of a functional channel, which matches the hydrophobic cavity found in the crystal. However, the changes in diffusion rates do not fully correlate with the obstruction induced by the mutation and deduced from the x-ray structures. Our results demonstrate the necessity of measuring diffusion rates and emphasize the role of side-chain dynamics in determining these. PMID:18685111
Experimental approaches to kinetics of gas diffusion in hydrogenase.
Leroux, Fanny; Dementin, Sébastien; Burlat, Bénédicte; Cournac, Laurent; Volbeda, Anne; Champ, Stéphanie; Martin, Lydie; Guigliarelli, Bruno; Bertrand, Patrick; Fontecilla-Camps, Juan; Rousset, Marc; Léger, Christophe
2008-08-12
Hydrogenases, which catalyze H(2) to H(+) conversion as part of the bioenergetic metabolism of many microorganisms, are among the metalloenzymes for which a gas-substrate tunnel has been described by using crystallography and molecular dynamics. However, the correlation between protein structure and gas-diffusion kinetics is unexplored. Here, we introduce two quantitative methods for probing the rates of diffusion within hydrogenases. One uses protein film voltammetry to resolve the kinetics of binding and release of the competitive inhibitor CO; the other is based on interpreting the yield in the isotope exchange assay. We study structurally characterized mutants of a NiFe hydrogenase, and we show that two mutations, which significantly narrow the tunnel near the entrance of the catalytic center, decrease the rates of diffusion of CO and H(2) toward and from the active site by up to 2 orders of magnitude. This proves the existence of a functional channel, which matches the hydrophobic cavity found in the crystal. However, the changes in diffusion rates do not fully correlate with the obstruction induced by the mutation and deduced from the x-ray structures. Our results demonstrate the necessity of measuring diffusion rates and emphasize the role of side-chain dynamics in determining these. PMID:18685111
3D Multigroup Sn Neutron Transport Code
Energy Science and Technology Software Center (ESTSC)
2001-02-14
ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forwardmore » and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.« less
3D Multigroup Sn Neutron Transport Code
McGee, John; Wareing, Todd; Pautz, Shawn
2001-02-14
ATTILA is a 3D multigroup transport code with arbitrary order ansotropic scatter. The transport equation is solved in first order form using a tri-linear discontinuous spatial differencing on an arbitrary tetrahedral mesh. The overall solution technique is source iteration with DSA acceleration of the scattering source. Anisotropic boundary and internal sources may be entered in the form of spherical harmonics moments. Alpha and k eigenvalue problems are allowed, as well as fixed source problems. Forward and adjoint solutions are available. Reflective, vacumn, and source boundary conditions are available. ATTILA can perform charged particle transport calculations using slowing down (CSD) terms. ATTILA can also be used to peform infra-red steady-state calculations for radiative transfer purposes.
Diffusion processes in tumors: A nuclear medicine approach
NASA Astrophysics Data System (ADS)
Amaya, Helman
2016-07-01
The number of counts used in nuclear medicine imaging techniques, only provides physical information about the desintegration of the nucleus present in the the radiotracer molecules that were uptaken in a particular anatomical region, but that information is not a real metabolic information. For this reason a mathematical method was used to find a correlation between number of counts and 18F-FDG mass concentration. This correlation allows a better interpretation of the results obtained in the study of diffusive processes in an agar phantom, and based on it, an image from the PETCETIX DICOM sample image set from OsiriX-viewer software was processed. PET-CT gradient magnitude and Laplacian images could show direct information on diffusive processes for radiopharmaceuticals that enter into the cells by simple diffusion. In the case of the radiopharmaceutical 18F-FDG is necessary to include pharmacokinetic models, to make a correct interpretation of the gradient magnitude and Laplacian of counts images.
Nodal Diffusion & Transport Theory
Energy Science and Technology Software Center (ESTSC)
1992-02-19
DIF3D solves multigroup diffusion theory eigenvalue, adjoint, fixed source, and criticality (concentration, buckling, and dimension search) problems in 1, 2, and 3-space dimensions for orthogonal (rectangular or cylindrical), triangular, and hexagonal geometries. Anisotropic diffusion theory coefficients are permitted. Flux and power density maps by mesh cell and regionwise balance integrals are provided. Although primarily designed for fast reactor problems, upscattering and internal black boundary conditions are also treated.
Fusion at near-barrier energies within the quantum diffusion approach
NASA Astrophysics Data System (ADS)
Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.; Scheid, W.; Zhang, H. Q.
2014-04-01
Within the quantum diffusion approach, the role of neutron transfer in fusion (capture) reactions with tightly and weakly bound nuclei is discussed. The breakup process is analyzed. New methods for the study of the breakup probability are suggested.
Mean-field approach for diffusion of interacting particles.
Suárez, G; Hoyuelos, M; Mártin, H
2015-12-01
A nonlinear Fokker-Planck equation is obtained in the continuous limit of a one-dimensional lattice with an energy landscape of wells and barriers. Interaction is possible among particles in the same energy well. A parameter γ, related to the barrier's heights, is introduced. Its value is determinant for the functional dependence of the mobility and diffusion coefficient on particle concentration, but has no influence on the equilibrium solution. A relation between the mean-field potential and the microscopic interaction energy is derived. The results are illustrated with classical particles with interactions that reproduce fermion and boson statistics. PMID:26764643
Consistent Multigroup Theory Enabling Accurate Course-Group Simulation of Gen IV Reactors
Rahnema, Farzad; Haghighat, Alireza; Ougouag, Abderrafi
2013-11-29
The objective of this proposal is the development of a consistent multi-group theory that accurately accounts for the energy-angle coupling associated with collapsed-group cross sections. This will allow for coarse-group transport and diffusion theory calculations that exhibit continuous energy accuracy and implicitly treat cross- section resonances. This is of particular importance when considering the highly heterogeneous and optically thin reactor designs within the Next Generation Nuclear Plant (NGNP) framework. In such reactors, ignoring the influence of anisotropy in the angular flux on the collapsed cross section, especially at the interface between core and reflector near which control rods are located, results in inaccurate estimates of the rod worth, a serious safety concern. The scope of this project will include the development and verification of a new multi-group theory enabling high-fidelity transport and diffusion calculations in coarse groups, as well as a methodology for the implementation of this method in existing codes. This will allow for a higher accuracy solution of reactor problems while using fewer groups and will reduce the computational expense. The proposed research represents a fundamental advancement in the understanding and improvement of multi- group theory for reactor analysis.
The partially averaged field approach to cosmic ray diffusion
NASA Technical Reports Server (NTRS)
Jones, F. C.; Birmingham, T. J.; Kaiser, T. B.
1976-01-01
The kinetic equation for particles interacting with turbulent fluctuations is derived by a new nonlinear technique which successfully corrects the difficulties associated with quasilinear theory. In this new method the effects of the fluctuations are evaluated along particle orbits which themselves include the effects of a statistically averaged subset of the possible configurations of the turbulence. The new method is illustrated by calculating the pitch angle diffusion coefficient D sub Mu Mu for particles interacting with slab model magnetic turbulence, i.e., magnetic fluctuations linearly polarized transverse to a mean magnetic field. Results are compared with those of quasilinear theory and also with those of Monte Carlo calculations. The major effect of the nonlinear treatment in this illustration is the determination of D sub Mu Mu in the vicinity of 90 deg pitch angles where quasilinear theory breaks down. The spatial diffusion coefficient parallel to a mean magnetic field is evaluated using D sub Mu Mu as calculated by this technique. It is argued that the partially averaged field method is not limited to small amplitude fluctuating fields and is hence not a perturbation theory.
Joining of Silicon Carbide Through the Diffusion Bonding Approach
NASA Technical Reports Server (NTRS)
Halbig, Michael .; Singh, Mrityunjay
2009-01-01
In order for ceramics to be fully utilized as components for high-temperature and structural applications, joining and integration methods are needed. Such methods will allow for the fabrication the complex shapes and also allow for insertion of the ceramic component into a system that may have different adjacent materials. Monolithic silicon carbide (SiC) is a ceramic material of focus due to its high temperature strength and stability. Titanium foils were used as an interlayer to form diffusion bonds between chemical vapor deposited (CVD) SiC ceramics with the aid of hot pressing. The influence of such variables as interlayer thickness and processing time were investigated to see which conditions contributed to bonds that were well adhered and crack free. Optical microscopy, scanning electron microscopy, and electron microprobe analysis were used to characterize the bonds and to identify the reaction formed phases.
My treatment approach to patients with diffuse large B-cell lymphoma.
Armitage, James O
2012-02-01
My favored treatment approach for patients with diffuse large B-cell lymphoma continues to evolve. Diffuse large B-cell lymphoma can now be cured in more than 50% of patients. This is a result of improved definitions of the disease, improved diagnostic capabilities, better staging and restaging techniques, a useful prognostic index to guide therapeutic decisions, and the development of increasingly effective therapies. Positron emission tomographic scans have improved the accuracy of both staging and restaging. Findings on a positron emission tomographic scan at the end of therapy are the best predictors of a good treatment outcome. Numerous subtypes of diffuse large B-cell lymphoma have been identified that require specific treatment approaches. For example, plasmablastic lymphoma typically lacks CD20 and does not benefit from treatment with rituximab. Diffuse large B-cell lymphoma originating in specific extranodal sites such as the central nervous system, testes, and skin presents special problems and requires specific treatment approaches. A subgroup of diffuse large B-cell lymphoma with a very high proliferative rate seems to have a poor outcome when treated with CHOP-R and does better with regimens used for patients with Burkitt lymphoma. New insights into the biology of these disorders are likely to further change treatment approaches. Recognition that diffuse large B-cell lymphoma is not one disease, but a variety of clinicopathologic syndromes provides the opportunity to further improve our ability to benefit patients. PMID:22305028
Global analysis on a class of multi-group SEIR model with latency and relapse.
Wang, Jinliang; Shu, Hongying
2016-02-01
In this paper, we investigate the global dynamics of a multi-group SEIR epidemic model, allowing heterogeneity of the host population, delay in latency and delay due to relapse distribution for the human population. Our results indicate that when certain restrictions on nonlinear growth rate and incidence are fulfilled, the basic reproduction number R0 plays the key role of a global threshold parameter in the sense that the long-time behaviors of the model depend only on R0. The proofs of the main results utilize the persistence theory in dynamical systems, Lyapunov functionals guided by graph-theoretical approach. PMID:26776266
A compressed-sensing approach for super-resolution reconstruction of diffusion MRI
Ning, Lipeng; Setsompop, Kawin; Michailovich, Oleg; Makris, Nikos; Westin, Carl-Fredrik; Rathi, Yogesh
2015-01-01
We present an innovative framework for reconstructing high-spatial-resolution diffusion magnetic resonance imaging (dMRI) from multiple low-resolution (LR) images. Our approach combines the twin concepts of compressed sensing (CS) and classical super-resolution to reduce acquisition time while increasing spatial resolution. We use sub-pixel-shifted LR images with down-sampled and non-overlapping diffusion directions to reduce acquisition time. The diffusion signal in the high resolution (HR) image is represented in a sparsifying basis of spherical ridgelets to model complex fiber orientations with reduced number of measurements. The HR image is obtained as the solution of a convex optimization problem which can be solved using the proposed algorithm based on the alternating direction method of multipliers (ADMM). We qualitatively and quantitatively evaluate the performance of our method on two sets of in-vivo human brain data and show its effectiveness in accurately recovering very high resolution diffusion images. PMID:26221667
Smith, L.A.; Gallmeier, F.X.; Gehin, J.C.
1995-05-01
The FOEHN critical experiment was analyzed to validate the use of multigroup cross sections and Oak Ridge National Laboratory neutronics computer codes in the design of the Advanced Neutron Source. The ANSL-V 99-group master cross section library was used for all the calculations. Three different critical configurations were evaluated using the multigroup KENO Monte Carlo transport code, the multigroup DORT discrete ordinates transport code, and the multigroup diffusion theory code VENTURE. The simple configuration consists of only the fuel and control elements with the heavy water reflector. The intermediate configuration includes boron endplates at the upper and lower edges of the fuel element. The complex configuration includes both the boron endplates and components in the reflector. Cross sections were processed using modules from the AMPX system. Both 99-group and 20-group cross sections were created and used in two-dimensional models of the FOEHN experiment. KENO calculations were performed using both 99-group and 20-group cross sections. The DORT and VENTURE calculations were performed using 20-group cross sections. Because the simple and intermediate configurations are azimuthally symmetric, these configurations can be explicitly modeled in R-Z geometry. Since the reflector components cannot be modeled explicitly using the current versions of these codes, three reflector component homogenization schemes were developed and evaluated for the complex configuration. Power density distributions were calculated with KENO using 99-group cross sections and with DORT and VENTURE using 20-group cross sections. The average differences between the measured values and the values calculated with the different computer codes range from 2.45 to 5.74%. The maximum differences between the measured and calculated thermal flux values for the simple and intermediate configurations are {approx} 13%, while the average differences are < 8%.
RZ calculations for self shielded multigroup cross sections
Li, M.; Sanchez, R.; Zmijarevic, I.; Stankovski, Z.
2006-07-01
A collision probability method has been implemented for RZ geometries. The method accounts for white albedo, specular and translation boundary condition on the top and bottom surfaces of the geometry and for a white albedo condition on the outer radial surface. We have applied the RZ CP method to the calculation of multigroup self shielded cross sections for Gadolinia absorbers in BWRs. (authors)
Multigroup Confirmatory Factor Analysis: Locating the Invariant Referent Sets
ERIC Educational Resources Information Center
French, Brian F.; Finch, W. Holmes
2008-01-01
Multigroup confirmatory factor analysis (MCFA) is a popular method for the examination of measurement invariance and specifically, factor invariance. Recent research has begun to focus on using MCFA to detect invariance for test items. MCFA requires certain parameters (e.g., factor loadings) to be constrained for model identification, which are…
ERIC Educational Resources Information Center
Dorfman, Lorraine T.; Murty, Susan A.
2005-01-01
This article describes a gerontological enrichment model for institutionalizing and sustaining curricular change utilizing Rogers' (1995, 2003) diffusion of innovations approach to organizational change. The goal of the project, funded by the John A. Hartford Foundation, is to transform the social work curriculum at a major state university so…
NASA Astrophysics Data System (ADS)
Fontaine, G.; Brassard, P.; Dufour, P.; Tremblay, P.-E.
2015-06-01
The accretion-diffusion picture is the model par excellence for describing the presence of planetary debris polluting the atmospheres of relatively cool white dwarfs. Some important insights into the process may be derived using an approximate approach which combines static stellar models with estimates of diffusion timescales at the base of the outer convection zone or, in its absence, at the photosphere. Until recently, and to our knowledge, values of diffusion timescales in white dwarfs have all been obtained on the basis of the same physics as that developed initially by Paquette et al., including their diffusion coefficients and thermal diffusion coefficients. In view of the recent exciting discoveries of a plethora of metals (including some never seen before) polluting the atmospheres of an increasing number of cool white dwarfs, we felt that a new look at the estimates of settling timescales would be worthwhile. We thus provide improved estimates of diffusion timescales for all 27 elements from Li to Cu in the periodic table in a wide range of the surface gravity-effective temperature domain and for both DA and non-DA stars.
On the Karlin-Kimura approaches to the Wright-Fisher diffusion with fluctuating selection
NASA Astrophysics Data System (ADS)
Huillet, Thierry
2011-02-01
The goal of this work is a comparative study of two Wright-Fisher-like diffusion processes on the interval, one due to Karlin and the other one due to Kimura. Each model accounts for the evolution of one two-locus colony undergoing random mating, under the additional action of selection in a random environment. In other words, we study the effect of disorder on the usual Wright-Fisher model with fixed (nonrandom) selection. There is a drastic qualitative difference between the two models and between the random and nonrandom selection hypotheses. We first present a series of elementary stochastic models and tools that are needed to conduct this study in the context of diffusion process theory, including Kolmogorov backward and forward equations, scale and speed functions, classification of boundaries, and Doob transformation of sample paths using additive functionals. In this spirit, we briefly revisit the neutral Wright-Fisher diffusion and the Wright-Fisher diffusion with nonrandom selection. With these tools at hand, we first deal with the Karlin approach to the Wright-Fisher diffusion model with randomized selection differentials. The specificity of this model is that in the large population case, the boundaries of the state space are natural and hence inaccessible, and so quasi-absorbing only. We supply some limiting properties pertaining to times of hitting of points close to the boundaries. Next, we study the Kimura approach to the Wright-Fisher model with randomized selection, which may be viewed as a modification of the Karlin model, using an appropriate Doob transform which we describe. This model also has natural boundaries, but they turn out to be much more attracting and sticky than in Karlin's version. This leads to a faster approach to the quasi-absorbing states, to a larger time needed to move from the vicinity of one boundary to the other and to a local critical behavior of the branching diffusion obtained after the relevant Doob transformation.
Some Approaches to Modeling Diffuse Flow at Mid-Ocean Ridges
NASA Astrophysics Data System (ADS)
Farough, A.; Lowell, R. P.; Craft, K.; Germanovich, L. N.
2011-12-01
To obtain a sound understanding of subsurface temperatures and the extent of the subsurface biosphere in young oceanic crust, one must understand the mechanisms of diffuse flow at oceanic spreading centers. Mathematical modeling of diffuse flow at oceanic spreading centers has received relatively little attention compared to high-temperature black smoker discharge, in part because the temperature and fluid flow data required to constrain the models are scarce. We review a number of different approaches to modelling diffuse flow: (1) The simplest method considers 1-D steady-state uniform upflow from below subject to a heat transfer boundary condition at the surface, which represents the effects of mixing of hydrothermal fluid with seawater. These models, in which the heat transfer coefficient and the velocity of the ascending fluid are constrained by observed diffuse flow vent temperature and heat flux, typically result in a steep temperature gradient near the seafloor and subsurface biological activity may be limited to the upper few cm of the crust. (2) A related method uses data on the partitioning of heat flux between focused and diffuse flow and chemical data from the focused and diffuse flow components in a two-limb single pass modeling approach to determine the fraction of high-temperature fluid that is incorporated in the diffuse flow. Using data available from EPR 950', the Main Endeavour Field, and ASHES vent field at Axial Volcano on the Juan de Fuca Ridge in conjunction with Mg as a passive tracer, we find that the mixing ratio of high temperature in diffuse flow is <10%. The high-temperature contribution to the diffuse heat flux remains large, however, and high-temperature vent fluid ultimately contributes ~ 90% of the total heat output from the vent field. In these models mixing between high-temperature fluid and seawater may occur over a considerable depth, and the subsurface biosphere may be ~ 100 m deep beneath diffuse flow sites. (3) Finally, in
Geospatial Data Fusion and Multigroup Decision Support for Surface Water Quality Management
NASA Astrophysics Data System (ADS)
Sun, A. Y.; Osidele, O.; Green, R. T.; Xie, H.
2010-12-01
Social networking and social media have gained significant popularity and brought fundamental changes to many facets of our everyday life. With the ever-increasing adoption of GPS-enabled gadgets and technology, location-based content is likely to play a central role in social networking sites. While location-based content is not new to the geoscience community, where geographic information systems (GIS) are extensively used, the delivery of useful geospatial data to targeted user groups for decision support is new. Decision makers and modelers ought to make more effective use of the new web-based tools to expand the scope of environmental awareness education, public outreach, and stakeholder interaction. Environmental decision processes are often rife with uncertainty and controversy, requiring integration of multiple sources of information and compromises between diverse interests. Fusing of multisource, multiscale environmental data for multigroup decision support is a challenging task. Toward this goal, a multigroup decision support platform should strive to achieve transparency, impartiality, and timely synthesis of information. The latter criterion often constitutes a major technical bottleneck to traditional GIS-based media, featuring large file or image sizes and requiring special processing before web deployment. Many tools and design patterns have appeared in recent years to ease the situation somewhat. In this project, we explore the use of Web 2.0 technologies for “pushing” location-based content to multigroups involved in surface water quality management and decision making. In particular, our granular bottom-up approach facilitates effective delivery of information to most relevant user groups. Our location-based content includes in-situ and remotely sensed data disseminated by NASA and other national and local agencies. Our project is demonstrated for managing the total maximum daily load (TMDL) program in the Arroyo Colorado coastal river basin
Development of the new approach to the diffusion-limited reaction rate theory
Veshchunov, M. S.
2012-04-15
The new approach to the diffusion-limited reaction rate theory, recently proposed by the author, is further developed on the base of a similar approach to Brownian coagulation. The traditional diffusion approach to calculation of the reaction rate is critically analyzed. In particular, it is shown that the traditional approach is applicable only in the special case of reactions with a large reaction radius and the mean inter-particle distances, and become inappropriate in calculating the reaction rate in the case of a relatively small reaction radius. In the latter case, most important for chemical reactions, particle collisions occur not in the diffusion regime but mainly in the kinetic regime characterized by homogeneous (random) spatial distribution of particles on the length scale of the mean inter-particle distance. The calculated reaction rate for a small reaction radius in three dimensions formally (and fortuitously) coincides with the expression derived in the traditional approach for reactions with a large reaction radius, but notably deviates at large times from the traditional result in the planar two-dimensional geometry. In application to reactions on discrete lattice sites, new relations for the reaction rate constants are derived for both three-dimensional and two-dimensional lattices.
Snodin, A. P.; Ruffolo, D.; Matthaeus, W. H. E-mail: david.ruf@mahidol.ac.th
2013-01-01
The turbulent random walk of magnetic field lines plays an important role in the transport of plasmas and energetic particles in a wide variety of astrophysical situations, but most theoretical work has concentrated on determination of the asymptotic field line diffusion coefficient. Here we consider the evolution with distance of the field line random walk using a general ordinary differential equation (ODE), which for most cases of interest in astrophysics describes a transition from free streaming to asymptotic diffusion. By challenging theories of asymptotic diffusion to also describe the evolution, one gains insight on how accurately they describe the random walk process. Previous theoretical work has effectively involved closure of the ODE, often by assuming Corrsin's hypothesis and a Gaussian displacement distribution. Approaches that use quasilinear theory and prescribe the mean squared displacement ({Delta}x {sup 2}) according to free streaming (random ballistic decorrelation, RBD) or asymptotic diffusion (diffusive decorrelation, DD) can match computer simulation results, but only over specific parameter ranges, with no obvious 'marker' of the range of validity. Here we make use of a unified description in which the ODE determines ({Delta}x {sup 2}) self-consistently, providing a natural transition between the assumptions of RBD and DD. We find that the minimum kurtosis of the displacement distribution provides a good indicator of whether the self-consistent ODE is applicable, i.e., inaccuracy of the self-consistent ODE is associated with non-Gaussian displacement distributions.
Diffuse globally, compute locally: a cyclist approach to modeling long time robot locomotion
NASA Astrophysics Data System (ADS)
Zhang, Tingnan; Goldman, Daniel; Cvitanović, Predrag
2015-03-01
To advance autonomous robots we are interested to develop a statistical/dynamical description of diffusive self-propulsion on heterogeneous terrain. We consider a minimal model for such diffusion, the 2-dimensional Lorentz gas, which abstracts the motion of a light, point-like particle bouncing within a large number of heavy scatters (e.g. small robots in a boulder field). We present a precise computation (based on exact periodic orbit theory formula for the diffusion constant) for a periodic triangular Lorentz gas with finite horizon. We formulate a new approach to tiling the plane in terms of three elementary tiling generators which, for the first time, enables use of periodic orbits computed in the fundamental domain (that is, 1 / 12 of the hexagonal elementary cell whose translations tile the entire plane). Compared with previous literature, our fundamental domain value of the diffusion constant converges quickly for inter-disk separation/disk radius > 0 . 2 , with the cycle expansion truncated to only a few hundred periodic orbits of up to 5 billiard wall bounces. For small inter-disk separations, with periodic orbits up to 6 bounces, our diffusion constants are close (< 10 %) to direct numerical simulation estimates and the recent literature probabilistic estimates.
Collision probability calculation and multigroup flux solvers using PVM
Qaddouri, A.; Roy, R.; Mayrand, M.; Goulard, B.
1996-07-01
Collision probability evaluation and flux computation are the most time-consuming aspects of applications based on the linearized time-independent transport equation. Parallelization for collision probability calculation and multigroup flux computation are investigated. Particular techniques pertinent to the two-step energy/space iterative process of solving a multigroup transport equation are described. The parallel performance is studied in cases where the cyclic tracking technique is used to integrate collision probability. Parallelization is achieved by distributing either different energy groups or different regions on a set of processors. These algorithms were tested on a four-processor IBM SP2 and an eight-processor SPARC 1000 as well as on networks of workstations using the public domain PVM library. Typical run times are provided for unit cell calculations.
Kuzyakin, R. A.; Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.
2011-06-15
With the quantum diffusion approach, the passing probability through the parabolic barrier is examined in the limit of linear coupling in the momentum between the collective subsystem and environment. The dependencies of the penetrability on time, energy, and the coupling strength between the interacting subsystems are studied. The quasistationary thermal decay rate from a metastable state is considered in the cases of linear couplings both in the momentum and in the coordinate.
NASA Astrophysics Data System (ADS)
Álvarez, Gonzalo A.; Shemesh, Noam; Frydman, Lucio
2014-02-01
Dynamical decoupling, a generalization of the original NMR spin-echo sequence, is becoming increasingly relevant as a tool for reducing decoherence in quantum systems. Such sequences apply non-equidistant refocusing pulses for optimizing the coupling between systems, and environmental fluctuations characterized by a given noise spectrum. One such sequence, dubbed Selective Dynamical Recoupling (SDR) [P. E. S. Smith, G. Bensky, G. A. Álvarez, G. Kurizki, and L. Frydman, Proc. Natl. Acad. Sci. 109, 5958 (2012)], allows one to coherently reintroduce diffusion decoherence effects driven by fluctuations arising from restricted molecular diffusion [G. A. Álvarez, N. Shemesh, and L. Frydman, Phys. Rev. Lett. 111, 080404 (2013)]. The fully-refocused, constant-time, and constant-number-of-pulses nature of SDR also allows one to filter out "intrinsic" T1 and T2 weightings, as well as pulse errors acting as additional sources of decoherence. This article explores such features when the fluctuations are now driven by unrestricted molecular diffusion. In particular, we show that diffusion-driven SDR can be exploited to investigate the decoherence arising from the frequency fluctuations imposed by internal gradients. As a result, SDR presents a unique way of probing and characterizing these internal magnetic fields, given an a priori known free diffusion coefficient. This has important implications in studies of structured systems, including porous media and live tissues, where the internal gradients may serve as fingerprints for the system's composition or structure. The principles of this method, along with full analytical solutions for the unrestricted diffusion-driven modulation of the SDR signal, are presented. The potential of this approach is demonstrated with the generation of a novel source of MRI contrast, based on the background gradients active in an ex vivo mouse brain. Additional features and limitations of this new method are discussed.
Álvarez, Gonzalo A.; Shemesh, Noam; Frydman, Lucio
2014-02-28
Dynamical decoupling, a generalization of the original NMR spin-echo sequence, is becoming increasingly relevant as a tool for reducing decoherence in quantum systems. Such sequences apply non-equidistant refocusing pulses for optimizing the coupling between systems, and environmental fluctuations characterized by a given noise spectrum. One such sequence, dubbed Selective Dynamical Recoupling (SDR) [P. E. S. Smith, G. Bensky, G. A. Álvarez, G. Kurizki, and L. Frydman, Proc. Natl. Acad. Sci. 109, 5958 (2012)], allows one to coherently reintroduce diffusion decoherence effects driven by fluctuations arising from restricted molecular diffusion [G. A. Álvarez, N. Shemesh, and L. Frydman, Phys. Rev. Lett. 111, 080404 (2013)]. The fully-refocused, constant-time, and constant-number-of-pulses nature of SDR also allows one to filter out “intrinsic” T{sub 1} and T{sub 2} weightings, as well as pulse errors acting as additional sources of decoherence. This article explores such features when the fluctuations are now driven by unrestricted molecular diffusion. In particular, we show that diffusion-driven SDR can be exploited to investigate the decoherence arising from the frequency fluctuations imposed by internal gradients. As a result, SDR presents a unique way of probing and characterizing these internal magnetic fields, given an a priori known free diffusion coefficient. This has important implications in studies of structured systems, including porous media and live tissues, where the internal gradients may serve as fingerprints for the system's composition or structure. The principles of this method, along with full analytical solutions for the unrestricted diffusion-driven modulation of the SDR signal, are presented. The potential of this approach is demonstrated with the generation of a novel source of MRI contrast, based on the background gradients active in an ex vivo mouse brain. Additional features and limitations of this new method are discussed.
Double obstacle phase field approach to an inverse problem for a discontinuous diffusion coefficient
NASA Astrophysics Data System (ADS)
Deckelnick, Klaus; Elliott, Charles M.; Styles, Vanessa
2016-04-01
We propose a double obstacle phase field approach to the recovery of piece-wise constant diffusion coefficients for elliptic partial differential equations. The approach to this inverse problem is that of optimal control in which we have a quadratic fidelity term to which we add a perimeter regularization weighted by a parameter σ. This yields a functional which is optimized over a set of diffusion coefficients subject to a state equation which is the underlying elliptic PDE. In order to derive a problem which is amenable to computation the perimeter functional is relaxed using a gradient energy functional together with an obstacle potential in which there is an interface parameter ɛ. This phase field approach is justified by proving {{Γ }}- convergence to the functional with perimeter regularization as ε \\to 0. The computational approach is based on a finite element approximation. This discretization is shown to converge in an appropriate way to the solution of the phase field problem. We derive an iterative method which is shown to yield an energy decreasing sequence converging to a discrete critical point. The efficacy of the approach is illustrated with numerical experiments.
Locating a weak change using diffuse waves: Theoretical approach and inversion procedure
NASA Astrophysics Data System (ADS)
Rossetto, Vincent; Margerin, Ludovic; Planès, Thomas; Larose, Éric
2011-02-01
We describe a time-resolved monitoring technique for heterogeneous media. Our approach is based on the spatial variations of the cross-coherence of diffuse waves acquired at fixed positions but at different dates. The technique applies to all kind of waves, provided that waveforms can be acquired with a sampling frequency much larger than the wave frequency. To locate and characterize a weak change that occurred between successive acquisitions, we use a maximum likelihood approach combined with a diffusive propagation model. We characterize this technique, locating a weak change using diffuse waves, called LOCADIFF, with the aid of numerical simulations. In several illustrative examples, we show that the change can be located with a precision of a few wavelengths and that its effective scattering cross-section can be retrieved. We investigate how the accuracy and precision of the method depends on the number of source-receiver pairs, on the time window used to compute the cross-correlation and on the errors in the propagation model. Applications can be found in nondestructive testing, seismology, radar, and sonar location.
NASA Astrophysics Data System (ADS)
Sundaram, Brruntha; Klimenko, Alexander Yuri; Cleary, Matthew John; Ge, Yipeng
2016-07-01
This work presents a direct and transparent interpretation of two concepts for modelling turbulent combustion: generalised Multiple Mapping Conditioning (MMC) and sparse-Lagrangian Large Eddy Simulation (LES). The MMC approach is presented as a hybrid between the Probability Density Function (PDF) method and approaches based on conditioning (e.g. Conditional Moment Closure, flamelet, etc.). The sparse-Lagrangian approach, which allows for a dramatic reduction of computational cost, is viewed as an alternative interpretation of the Filtered Density Function (FDF) methods. This work presents simulations of several turbulent diffusion flame cases and discusses the universality of the localness parameter between these cases and the universality of sparse-Lagrangian FDF methods with MMC.
A Reconstruction Approach to High-Order Schemes Including Discontinuous Galerkin for Diffusion
NASA Technical Reports Server (NTRS)
Huynh, H. T.
2009-01-01
We introduce a new approach to high-order accuracy for the numerical solution of diffusion problems by solving the equations in differential form using a reconstruction technique. The approach has the advantages of simplicity and economy. It results in several new high-order methods including a simplified version of discontinuous Galerkin (DG). It also leads to new definitions of common value and common gradient quantities at each interface shared by the two adjacent cells. In addition, the new approach clarifies the relations among the various choices of new and existing common quantities. Fourier stability and accuracy analyses are carried out for the resulting schemes. Extensions to the case of quadrilateral meshes are obtained via tensor products. For the two-point boundary value problem (steady state), it is shown that these schemes, which include most popular DG methods, yield exact common interface quantities as well as exact cell average solutions for nearly all cases.
Analyzing average and conditional effects with multigroup multilevel structural equation models
Mayer, Axel; Nagengast, Benjamin; Fletcher, John; Steyer, Rolf
2014-01-01
Conventionally, multilevel analysis of covariance (ML-ANCOVA) has been the recommended approach for analyzing treatment effects in quasi-experimental multilevel designs with treatment application at the cluster-level. In this paper, we introduce the generalized ML-ANCOVA with linear effect functions that identifies average and conditional treatment effects in the presence of treatment-covariate interactions. We show how the generalized ML-ANCOVA model can be estimated with multigroup multilevel structural equation models that offer considerable advantages compared to traditional ML-ANCOVA. The proposed model takes into account measurement error in the covariates, sampling error in contextual covariates, treatment-covariate interactions, and stochastic predictors. We illustrate the implementation of ML-ANCOVA with an example from educational effectiveness research where we estimate average and conditional effects of early transition to secondary schooling on reading comprehension. PMID:24795668
A new approach to the problem of bulk-mediated surface diffusion
NASA Astrophysics Data System (ADS)
Berezhkovskii, Alexander M.; Dagdug, Leonardo; Bezrukov, Sergey M.
2015-08-01
This paper is devoted to bulk-mediated surface diffusion of a particle which can diffuse both on a flat surface and in the bulk layer above the surface. It is assumed that the particle is on the surface initially (at t = 0) and at time t, while in between it may escape from the surface and come back any number of times. We propose a new approach to the problem, which reduces its solution to that of a two-state problem of the particle transitions between the surface and the bulk layer, focusing on the cumulative residence times spent by the particle in the two states. These times are random variables, the sum of which is equal to the total observation time t. The advantage of the proposed approach is that it allows for a simple exact analytical solution for the double Laplace transform of the conditional probability density of the cumulative residence time spent on the surface by the particle observed for time t. This solution is used to find the Laplace transform of the particle mean square displacement and to analyze the peculiarities of its time behavior over the entire range of time. We also establish a relation between the double Laplace transform of the conditional probability density and the Fourier-Laplace transform of the particle propagator over the surface. The proposed approach treats the cases of both finite and infinite bulk layer thicknesses (where bulk-mediated surface diffusion is normal and anomalous at asymptotically long times, respectively) on equal footing.
Modeling evaporation from spent nuclear fuel storage pools: A diffusion approach
NASA Astrophysics Data System (ADS)
Hugo, Bruce Robert
Accurate prediction of evaporative losses from light water reactor nuclear power plant (NPP) spent fuel storage pools (SFPs) is important for activities ranging from sizing of water makeup systems during NPP design to predicting the time available to supply emergency makeup water following severe accidents. Existing correlations for predicting evaporation from water surfaces are only optimized for conditions typical of swimming pools. This new approach modeling evaporation as a diffusion process has yielded an evaporation rate model that provided a better fit of published high temperature evaporation data and measurements from two SFPs than other published evaporation correlations. Insights from treating evaporation as a diffusion process include correcting for the effects of air flow and solutes on evaporation rate. An accurate modeling of the effects of air flow on evaporation rate is required to explain the observed temperature data from the Fukushima Daiichi Unit 4 SFP during the 2011 loss of cooling event; the diffusion model of evaporation provides a significantly better fit to this data than existing evaporation models.
Multigroup calculations using VIM: A user`s guide to ISOVIM
Blomquist, R.N.
1992-09-01
Monte Carlo calculations have long been used to benchmark more a mate approximate solution methods for reactor physics problems. The power of VIM (ref 1) lies partly in the detailed geometrical representations incorporating the (generally) curved surfaces of combinatorial geometry, and partly in the fine energy detail of pointwise cross sections which are independent of the neutron spectrum. When differences arise between Monte Carlo and deterministic calculations, the question arises, is the error in the multigroup cross sections, in the treatment of transport effects, or in the mesh-based treatment of space in the deterministic calculation? The answers may not be obvious, but may be identified by combining the exact geometry capability of VIM with the multigroup formalism. We can now run VIM in a multigroup mode by producing special VIM Material files which contain point-wise data describing multigroup data with histograms. This forces VIM to solve the multigroup problem with only three small code modifications. P{sub N} scattering is simulated with the usual tabulated angular distributions with 20 equally-sized scattering angle cosine meshes. This document describes the VIM multigroup capability, the procedures for generating multigroup cross sections for VIM, and their use. The multigroup cross section generating code, ISOVIM, is described, and benchmark testing is documented.
A concurrent, multigroup, discrete ordinates model of neutron transport
Dorr, M.R.; Still, C.H.
1993-10-22
The authors present an algorithm for the concurrent solution of the linear system arising from a multigroup, discrete ordinates model of neutron transport. The target architectures consist of distributed memory computers ranging from workstation clusters to massively parallel computers. Based on an analysis of the memory requirement and floating point complexity of matrix-vector multiplication in the iterative solution of the linear system, the authors propose a data layout and communication strategy designed to achieve scalability with respect to all phase space variables. Numerical results are presented to demonstrate the performance of the algorithm on the nCUBE/2.
Multigroup Free-atom Doppler-broadening Approximation. Experiment
Gray, Mark Girard
2015-11-06
The multigroup energy Doppler-broadening approximation agrees with continuous energy Dopplerbroadening generally to within ten percent for the total cross sections of ^{1}H,^{ 56}Fe, and ^{235}U at 250 lanl. Although this is probably not good enough for broadening from room temperature through the entire temperature range in production use, it is better than any interpolation scheme between temperatures proposed to date, and may be good enough for extrapolation from high temperatures. The method deserves further study since additional improvements are possible.
NASA Astrophysics Data System (ADS)
Khina, B. B.; Formanek, B.; Solpan, I.
2005-01-01
In modeling SHS in condensed systems, it is typically considered that a solid and a liquid reactant (a molten metal) are separated by a solid product interlayer, and diffusion in this layer is the rate-controlling stage (a “solid-solid-liquid mechanism”). However, in most cases modeling is performed not with real diffusion data (activation energy E and preexponent D0) for the product phase but with fitting parameters which are chosen to match the calculated and measured thermal characteristics of the SHS wave. In this work, a system of kinetic, thermodynamic and structural estimates is developed for evaluating the validity of this approach for particular SHS systems/conditions using available experimental data on both diffusion in the product phase and characteristics of the SHS wave. A classical Ti-C system is chosen as an example. Change in geometry of a unit reaction cell due to melting and spreading of the metallic reactant is taken into account, and different situations arising within this concept are analyzed. It is demonstrated that the “diffusion-controlled growth” kinetics is not applicable to SHS of interstitial compounds in the wave propagation regime because it cannot provide sufficient heat release for sustaining SHS and the final product structure will disagree with experimental data known in literature. As an alternative, a “solid-liquid mechanism” of phase formation during SHS is grounded, which implies a direct contact of a metallic melt with a solid reactant. A micromechanistic criterion for a changeover of these interaction routes is obtained, which is important for SHS in the thermal explosion mode.
A model-based deconvolution approach to solve fiber crossing in diffusion-weighted MR imaging.
Dell'Acqua, Flavio; Rizzo, Giovanna; Scifo, Paola; Clarke, Rafael Alonso; Scotti, Giuseppe; Fazio, Ferruccio
2007-03-01
A deconvolution approach is presented to solve fiber crossing in diffusion magnetic resonance imaging. In order to provide a direct physical interpretation of the signal generation process, we started from the classical multicompartment model and rewrote this in terms of a convolution process, identifying a significant scalar parameter alpha to characterize the physical system response. Deconvolution is performed by a modified version of the Richardson-Lucy algorithm. Simulations show the ability of this method to correctly separate fiber crossing, even in the presence of noisy data, with lower signal-to-noise ratio, and imprecision in the impulse response function imposed during deconvolution. The in vivo data confirms the efficacy of this method to resolve fiber crossing in real complex brain structures. These results suggest the usefulness of our approach in fiber tracking or connectivity studies. PMID:17355058
NASA Astrophysics Data System (ADS)
Okawa, S.; Yamamoto, H.; Miwa, Y.; Yamada, Y.
2011-07-01
Fluorescence diffuse optical tomography (FDOT) based on the total light approach is developed. The continuous wave light is used for excitation in this system. The reconstruction algorithm is based on the total light approach that reconstructs the absorption coefficients increased by the fluorophore. Additionally we propose noise reduction using the algebraic reconstruction technique (ART) incorporating the truncated singular value decomposition (TSVD). Numerical and phantom experiments show that the developed system successfully reconstructs the fluorophore concentration in the biological media, and the ART with TSVD alleviates the influence of noises. In vivo experiment demonstrated that the developed FDOT system localized the fluorescent agent which was concentrated in the cancer transplanted into a kidney in a mouse.
Dynamical approach to anomalous diffusion: Response of Lévy processes to a perturbation
NASA Astrophysics Data System (ADS)
Trefán, György; Floriani, Elena; West, Bruce J.; Grigolini, Paolo
1994-10-01
Lévy statistics are derived from a dynamical system, which can be either Hamiltonian or not, using a master equation approach. We compare these predictions to the random walk approach recently developed by Zumofen and Klafter for both the nonstationary [Phys. Rev. E 47, 851 (1993)] and stationary [Physica A 196, 102 (1993)] case. We study the unperturbed dynamics of the system analytically and numerically and evaluate the time evolution of the second moment of the probability distribution. We also study the response of the dynamical system undergoing anomalous diffusion to an external perturbation and show that if the slow regression to equilibrium of the variable ``velocity'' is triggered by the perturbation, the process of diffusion of the ``space'' variable takes place under nonstationary conditions and a conductivity steadily increasing with time is generated in the early part of the response process. In the regime of extremely long times the conductivity becomes constant with a value, though, that does not correspond to the prescriptions of the ordinary Green-Kubo treatments.
Modeling tumor growth in a complex evolving confinement using a diffuse domain approach
NASA Astrophysics Data System (ADS)
Chuang, Yao-Li; Lowengrub, John; Chen, Ying; Li, Xiangrong; Frieboes, Hermann; Cristini, Vittorio
2011-11-01
Understanding the spatiotemporal evolution of tumor growth represents an essential step towards engineering effective treatment for cancer patients. At the macroscopic scale, various biophysical models describing tumors as continuum fluids have been constructed, particularly on a Cartesian grid, where efficient numerical schemes are available to analyze the model for general tumor behaviors in a relatively unconfined space. For practical problems, however, tumors are often found in a confined sub-domain, which can even be dilated and distorted by the growing tumor within. To study such tumors, we adopt a novel diffuse domain approach that enables us to adapt a model to an evolving sub-domain and formulate the modified problem on a Cartesian grid to utilize existing numerical schemes. To demonstrate this approach, we adapt a diffuse-interface model presented in Wise et al. [2008, Three-dimensional multispecies nonlinear tumor growth - I Model and numerical method, J. Theor. Biol. 253, 524-543] to simulate lymphoma growth in a lymph node structure. Supported by NIH-PSOC grant 1U54CA143907-01.
Status of the MORSE multigroup Monte Carlo radiation transport code
Emmett, M.B.
1993-06-01
There are two versions of the MORSE multigroup Monte Carlo radiation transport computer code system at Oak Ridge National Laboratory. MORSE-CGA is the most well-known and has undergone extensive use for many years. MORSE-SGC was originally developed in about 1980 in order to restructure the cross-section handling and thereby save storage. However, with the advent of new computer systems having much larger storage capacity, that aspect of SGC has become unnecessary. Both versions use data from multigroup cross-section libraries, although in somewhat different formats. MORSE-SGC is the version of MORSE that is part of the SCALE system, but it can also be run stand-alone. Both CGA and SGC use the Multiple Array System (MARS) geometry package. In the last six months the main focus of the work on these two versions has been on making them operational on workstations, in particular, the IBM RISC 6000 family. A new version of SCALE for workstations is being released to the Radiation Shielding Information Center (RSIC). MORSE-CGA, Version 2.0, is also being released to RSIC. Both SGC and CGA have undergone other revisions recently. This paper reports on the current status of the MORSE code system.
Bag-of-features approach for improvement of lung tissue classification in diffuse lung disease
NASA Astrophysics Data System (ADS)
Kato, Noriji; Fukui, Motofumi; Isozaki, Takashi
2009-02-01
Many automated techniques have been proposed to classify diffuse lung disease patterns. Most of the techniques utilize texture analysis approaches with second and higher order statistics, and show successful classification result among various lung tissue patterns. However, the approaches do not work well for the patterns with inhomogeneous texture distribution within a region of interest (ROI), such as reticular and honeycombing patterns, because the statistics can only capture averaged feature over the ROI. In this work, we have introduced the bag-of-features approach to overcome this difficulty. In the approach, texture images are represented as histograms or distributions of a few basic primitives, which are obtained by clustering local image features. The intensity descriptor and the Scale Invariant Feature Transformation (SIFT) descriptor are utilized to extract the local features, which have significant discriminatory power due to their specificity to a particular image class. In contrast, the drawback of the local features is lack of invariance under translation and rotation. We improved the invariance by sampling many local regions so that the distribution of the local features is unchanged. We evaluated the performance of our system in the classification task with 5 image classes (ground glass, reticular, honeycombing, emphysema, and normal) using 1109 ROIs from 211 patients. Our system achieved high classification accuracy of 92.8%, which is superior to that of the conventional system with the gray level co-occurrence matrix (GLCM) feature especially for inhomogeneous texture patterns.
Diffusion of a Sustainable Farming Technique in Sri Lanka: An Agent-Based Modeling Approach
NASA Astrophysics Data System (ADS)
Jacobi, J. H.; Gilligan, J. M.; Carrico, A. R.; Truelove, H. B.; Hornberger, G.
2012-12-01
We live in a changing world - anthropogenic climate change is disrupting historic climate patterns and social structures are shifting as large scale population growth and massive migrations place unprecedented strain on natural and social resources. Agriculture in many countries is affected by these changes in the social and natural environments. In Sri Lanka, rice farmers in the Mahaweli River watershed have seen increases in temperature and decreases in precipitation. In addition, a government led resettlement project has altered the demographics and social practices in villages throughout the watershed. These changes have the potential to impact rice yields in a country where self-sufficiency in rice production is a point of national pride. Studies of the climate can elucidate physical effects on rice production, while research on social behaviors can illuminate the influence of community dynamics on agricultural practices. Only an integrated approach, however, can capture the combined and interactive impacts of these global changes on Sri Lankan agricultural. As part of an interdisciplinary team, we present an agent-based modeling (ABM) approach to studying the effects of physical and social changes on farmers in Sri Lanka. In our research, the diffusion of a sustainable farming technique, the system of rice intensification (SRI), throughout a farming community is modeled to identify factors that either inhibit or promote the spread of a more sustainable approach to rice farming. Inputs into the ABM are both physical and social and include temperature, precipitation, the Palmer Drought Severity Index (PDSI), community trust, and social networks. Outputs from the ABM demonstrate the importance of meteorology and social structure on the diffusion of SRI throughout a farming community.
NASA Astrophysics Data System (ADS)
Zhu, Jianting; Ogden, Fred L.; Lai, Wencong; Chen, Xiangfeng; Talbot, Cary A.
2016-04-01
Vadose zone flow problems are usually solved from the Richards equation. Solution to the Richards equation is generally challenging because the hydraulic conductivity and diffusivity in the equation are strongly non-linear functions of water content. The finite water-content method was proposed as an alternative general solution method of the vadose zone flow problem for infiltration, falling slugs, and vadose zone response to water table dynamics based on discretizing the water content domain into numerous bins instead of the traditional spatial discretization. In this study, we develop an improved approach to the original finite water-content method (referred to as TO method hereinafter) that better simulates diffusive effects but retains the robustness of the TO method. The approach treats advection and diffusion separately and considers diffusion on a bin by bin basis. After discretizing into water content bins, we treat the conductivity and diffusivity in individual bins as water content dependent constant evaluated at given water content corresponding to each bin. For each bin, we can solve the flow equations analytically since the hydraulic conductivity and diffusivity can be treated as a constant. We then develop solutions for each bin to determine the diffusive water amounts at each time step. The water amount ahead of the convective front for each bin is redistributed among water content bins to account for diffusive effects. The application of developed solution is straightforward only involving algebraic manipulations at each time step. The method can mainly improve water content profiles, but has no significant difference for the total infiltration rate and cumulative infiltration compared to the TO method. Although the method separately deals with advection and diffusion, it can account for the coupling effects of advection and diffusion reasonably well.
A staggered approach for the coupling of Cahn-Hilliard type diffusion and finite strain elasticity
NASA Astrophysics Data System (ADS)
Areias, P.; Samaniego, E.; Rabczuk, T.
2016-02-01
We develop an algorithm and computational implementation for simulation of problems that combine Cahn-Hilliard type diffusion with finite strain elasticity. We have in mind applications such as the electro-chemo-mechanics of lithium ion (Li-ion) batteries. We concentrate on basic computational aspects. A staggered algorithm is proposed for the coupled multi-field model. For the diffusion problem, the fourth order differential equation is replaced by a system of second order equations to deal with the issue of the regularity required for the approximation spaces. Low order finite elements are used for discretization in space of the involved fields (displacement, concentration, nonlocal concentration). Three (both 2D and 3D) extensively worked numerical examples show the capabilities of our approach for the representation of (i) phase separation, (ii) the effect of concentration in deformation and stress, (iii) the effect of strain in concentration, and (iv) lithiation. We analyze convergence with respect to spatial and time discretization and found that very good results are achievable using both a staggered scheme and approximated strain interpolation.
Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach
NASA Astrophysics Data System (ADS)
Shamloo, Amir; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria
2016-07-01
Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted.
Neutron diffusion in graphite poisoned with 1/v and non-1/v absorbers
Malik, U.; Kothari, L.S.; Kumar, A.
1982-05-01
Neutron diffusion in graphite containing 1/v and non-1/v absorbers has been studied in the diffusion theory approximation using a multigroup (30-group) approach and the neutron scattering kernel proposed earlier by the authors. It is observed that, in this case as in the case of water investigated earlier, the behavior of neutrons in graphite poisoned with gadolinium is different from that in graphite poisoned with samarium or cadmium. To explain the reason for this difference, a hypothetical model for the energy variation of the absorption cross section has been constructed that closely resembles samarium in one limit and goes over to gadolinium in the other. The effect of varying the concentration of non-1/v absorbers on the flux of sub-Bragg and epicold neutrons has been studied for this model, and some interesting results are obtained.
Symbolic Computational Approach to the Marangoni Convection Problem With Soret Diffusion
NASA Technical Reports Server (NTRS)
Skarda, J. Raymond
1998-01-01
A recently reported solution for stationary stability of a thermosolutal system with Soret diffusion is re-derived and examined using a symbolic computational package. Symbolic computational languages are well suited for such an analysis and facilitate a pragmatic approach that is adaptable to similar problems. Linearization of the equations, normal mode analysis, and extraction of the final solution are performed in a Mathematica notebook format. An exact solution is obtained for stationary stability in the limit of zero gravity. A closed form expression is also obtained for the location of asymptotes in relevant parameter, (Sm(sub c), Mac(sub c)), space. The stationary stability behavior is conveniently examined within the symbolic language environment. An abbreviated version of the Mathematica notebook is given in the Appendix.
Data-driven approach to optimum wavelength selection for diffuse optical imaging
NASA Astrophysics Data System (ADS)
Dempsey, Laura A.; Cooper, Robert J.; Roque, Tania; Correia, Teresa; Magee, Elliott; Powell, Samuel; Gibson, Adam P.; Hebden, Jeremy C.
2015-01-01
The production of accurate and independent images of the changes in concentration of oxyhemoglobin and deoxyhemoglobin by diffuse optical imaging is heavily dependent on which wavelengths of near-infrared light are chosen to interrogate the target tissue. Although wavelengths can be selected by theoretical methods, in practice the accuracy of reconstructed images will be affected by wavelength-specific and system-specific factors such as laser source power and detector sensitivity. We describe the application of a data-driven approach to optimum wavelength selection for the second generation of University College London's multichannel, time-domain optical tomography system (MONSTIR II). By performing a functional activation experiment using 12 different wavelengths between 690 and 870 nm, we were able to identify the combinations of 2, 3, and 4 wavelengths which most accurately reproduced the results obtained using all 12 wavelengths via an imaging approach. Our results show that the set of 2, 3, and 4 wavelengths which produce the most accurate images of functional activation are [770, 810], [770, 790, 850], and [730, 770, 810, 850] respectively, but also that the system is relatively robust to wavelength selection within certain limits. Although these results are specific to MONSTIR II, the approach we developed can be applied to other multispectral near-infrared spectroscopy and optical imaging systems.
Munayer, Salim J; Horenczyk, Gabriel
2014-10-01
Grounded in a contextual approach to acculturation of minorities, this study examines changes in acculturation orientations among Palestinian Christian Arab adolescents in Israel following the "lost decade of Arab-Jewish coexistence." Multi-group acculturation orientations among 237 respondents were assessed vis-à-vis two majorities--Muslim Arabs and Israeli Jews--and compared to 1998 data. Separation was the strongest endorsed orientation towards both majority groups. Comparisons with the 1998 data also show a weakening of the Integration attitude towards Israeli Jews, and also distancing from Muslim Arabs. For the examination of the "Westernisation" hypothesis, multi-dimensional scaling (MDS) analyses of perceptions of Self and group values clearly showed that, after 10 years, Palestinian Christian Arabs perceive Israeli Jewish culture as less close to Western culture, and that Self and the Christian Arab group have become much closer, suggesting an increasing identification of Palestinian Christian Arab adolescents with their ethnoreligious culture. We discuss the value of a multi-group, multi-method, and multi-wave approach to the examination of the role of the political context in acculturation processes. PMID:25178958
NASA Astrophysics Data System (ADS)
Martelloni, Gianluca; Bagnoli, Franco
2016-04-01
intense or long rain that percolates into the soil causing an increasing of the pore water pressure. In literature two type of models exist for attempting to forecast the landslides triggering: statistical or empirical modeling based on rainfall thresholds derived from the analysis of temporal series of daily rain [34] and geotechnical modeling, i.e., slope stability models that take into account water infiltration by rainfall considering classical Richardson equations [35-39]. Regarding the propagation of landslides, the models follow Eulerian (e.g., finite element methods, [40]) or Lagrangian approach (e.g., particle or molecular dynamics methods [41-46]). In a preliminary work [44], the possibility of the integration between fractional-based infiltration modeling and molecular dynamics approach, to model both the triggering and propagation, has been investigated in order to characterize the granular material varying the order of fractional derivative taking into account the equation -∂δ ∂2θ(z,t) ∂tδθ(z,t)=D ∂z2 , (6) where θ(z,t) represents the water content depending on time t and soil depth z [47], while the parameter δ, with 0.5 ≤ δ < 1, represents the fractional derivative order to consider anomalous sub-diffusion [48]; when δ = 1 we have classical derivative, i.e., normal diffusion, and when δ > 1 super-diffusion [32]. To sum up, in [44], a three-dimensional model is developed, the water content is expressed in term of pore pressure (interpreted as a scalar field acting on the particles), whose increasing induces the shear strength reduction. The latter is taking into account by means of Mohr-Coulomb criterion that represents a failure criterion based on limit equilibrium theory [49, 50]. Moreover, the fluctuations depending on positions, in term of pore pressure, are also considered. Concerning the interaction between particles, a Lennard-Jones potential is taking into account and other active forces as gravity, dynamic friction and viscosity
Teigen, Knut Erik; Li, Xiangrong; Lowengrub, John; Wang, Fan; Voigt, Axel
2009-12-01
A method is presented to solve two-phase problems involving a material quantity on an interface. The interface can be advected, stretched, and change topology, and material can be adsorbed to or desorbed from it. The method is based on the use of a diffuse interface framework, which allows a simple implementation using standard finite-difference or finite-element techniques. Here, finite-difference methods on a block-structured adaptive grid are used, and the resulting equations are solved using a non-linear multigrid method. Interfacial flow with soluble surfactants is used as an example of the application of the method, and several test cases are presented demonstrating its accuracy and convergence. PMID:21373370
Teigen, Knut Erik; Li, Xiangrong; Lowengrub, John; Wang, Fan; Voigt, Axel
2010-01-01
A method is presented to solve two-phase problems involving a material quantity on an interface. The interface can be advected, stretched, and change topology, and material can be adsorbed to or desorbed from it. The method is based on the use of a diffuse interface framework, which allows a simple implementation using standard finite-difference or finite-element techniques. Here, finite-difference methods on a block-structured adaptive grid are used, and the resulting equations are solved using a non-linear multigrid method. Interfacial flow with soluble surfactants is used as an example of the application of the method, and several test cases are presented demonstrating its accuracy and convergence. PMID:21373370
Diffuse lung disease of infancy: a pattern-based, algorithmic approach to histological diagnosis.
Armes, Jane E; Mifsud, William; Ashworth, Michael
2015-02-01
Diffuse lung disease (DLD) of infancy has multiple aetiologies and the spectrum of disease is substantially different from that seen in older children and adults. In many cases, a specific diagnosis renders a dire prognosis for the infant, with profound management implications. Two recently published series of DLD of infancy, collated from the archives of specialist centres, indicate that the majority of their cases were referred, implying that the majority of biopsies taken for DLD of infancy are first received by less experienced pathologists. The current literature describing DLD of infancy takes a predominantly aetiological approach to classification. We present an algorithmic, histological, pattern-based approach to diagnosis of DLD of infancy, which, with the aid of appropriate multidisciplinary input, including clinical and radiological expertise and ancillary diagnostic studies, may lead to an accurate and useful interim report, with timely exclusion of inappropriate diagnoses. Subsequent referral to a specialist centre for confirmatory diagnosis will be dependent on the individual case and the decision of the multidisciplinary team. PMID:25477529
Diffuse lung disease of infancy: a pattern-based, algorithmic approach to histological diagnosis
Armes, Jane E; Mifsud, William; Ashworth, Michael
2015-01-01
Diffuse lung disease (DLD) of infancy has multiple aetiologies and the spectrum of disease is substantially different from that seen in older children and adults. In many cases, a specific diagnosis renders a dire prognosis for the infant, with profound management implications. Two recently published series of DLD of infancy, collated from the archives of specialist centres, indicate that the majority of their cases were referred, implying that the majority of biopsies taken for DLD of infancy are first received by less experienced pathologists. The current literature describing DLD of infancy takes a predominantly aetiological approach to classification. We present an algorithmic, histological, pattern-based approach to diagnosis of DLD of infancy, which, with the aid of appropriate multidisciplinary input, including clinical and radiological expertise and ancillary diagnostic studies, may lead to an accurate and useful interim report, with timely exclusion of inappropriate diagnoses. Subsequent referral to a specialist centre for confirmatory diagnosis will be dependent on the individual case and the decision of the multidisciplinary team. PMID:25477529
A CNN-based approach to integrate the 3-D turbolent diffusion equation
NASA Astrophysics Data System (ADS)
Nunnari, G.
2003-04-01
The paper deals with the integration of the 3-D turbulent diffusion equation. This problem is relevant in several application fields including fluid dynamics, air/water pollution, volcanic ash emissions and industrial hazard assessment. As it is well known numerical solution of such a kind of equation is very time consuming even by using modern digital computers and this represents a short-coming for on-line applications. To overcome this drawback a Cellular Neural Network Approach is proposed in this paper. CNN's proposed by Chua and Yang in 1988 are massive parallel analog non-linear circuits with local interconnections between the computing elements that allow very fast distributed computations. Nowadays several producers of semiconductors such as SGS-Thomson are producing on chip CNN's so that their massive use for heavy computing applications is expected in the near future. In the paper the methodological background of the proposed approach will be outlined. Further some results both in terms of accuracy and computation time will be presented also in comparison with traditional three-dimensional computation schemes. Some results obtained to model 3-D pollution problems in the industrial area of Siracusa (Italy), characterised by a large concentration of petrol-chemical plants, will be presented.
NASA Astrophysics Data System (ADS)
Han, Yeji
2016-02-01
Whole-body diffusion-weighted imaging (DWI) is a useful tool in oncology, which enables fast screening of disseminated tumors, lymph nodes or abscesses in the body. Multistation magnetic resonance imaging (MRI) or continuously moving table (CMT) MRI can be performed to overcome the limited field of view (FOV) of the magnet bore in whole-body DWI. Although CMT-MRI is regarded as a more advanced form of whole-body MRI, it cannot be widely used because most of the available MR systems are not equipped with the required hardware/software to perform CMT. Thus, optimizing the multistation approach for whole-body DWI, which is more widely available and easier to perform with the existing MR systems, is worthwhile. To improve the quality of DW images acquired with the multistation approach, we used different combinations of the built-in body RF coil and the phased-array surface RF coils for reception of the signals in whole-body DWI in this work. If different coils are selectively used in the extended FOV and appropriate reconstruction algorithms are exploited, the screening ability of whole-body DWI can be improved while minimizing the patient's discomfort and the artifacts due to physiological motions.
NASA Astrophysics Data System (ADS)
Talanin, V. I.; Talanin, I. E.
2016-03-01
Theoretical studies of defect formation in semiconductor silicon play an important role in the creation of breakthrough ideas for next-generation technologies. A brief comparative analysis of modern theoretical approaches to the description of interaction of point defects and formation of the initial defect structure of dislocation-free silicon single crystals has been carried out. Foundations of the diffusion model of the formation of structural imperfections during the silicon growth have been presented. It has been shown that the diffusion model is based on high-temperature precipitation of impurities. The model of high-temperature precipitation of impurities describes processes of nucleation, growth, and coalescence of impurities during cooling of a crystal from 1683 to 300 K. It has been demonstrated that the diffusion model of defect formation provides a unified approach to the formation of a defect structure beginning with the crystal growth to the production of devices. The possibilities of using the diffusion model of defect formation for other semiconductor crystals and metals have been discussed. It has been shown that the diffusion model of defect formation is a platform for multifunctional solution of many key problems in modern solid state physics. Fundamentals of practical application of the diffusion model for engineering of defects in crystals with modern information technologies have been considered. An algorithm has been proposed for the calculation and analysis of a defect structure of crystals.
McDowell, Richard W; Nash, David; George, Anja; Wang, Q J; Duncan, Ruth
2009-01-01
Quantifying and managing diffuse P losses from small catchments or at the farm scale requires detailed knowledge of farming practices and their interaction with catchment processes. However, detailed knowledge may not be available and hence modeling is required. This paper demonstrates two approaches to developing tools that assist P losses from New Zealand or Australian dairy farms. The first is largely empirical and separates sources of P within a paddock into soil, fertilizer, dung, and treading impacts (including damage to grazed pasture). This information is combined with expert knowledge of hydrological processes and potential point sources (e.g., stream crossings) to create a deterministic model that can be used to evaluate the most cost and labor efficient method of mitigating P losses. For instance, in one example, 45% of annual P lost was attributed to the application of superphosphate just before a runoff event for which a mitigation strategy could be to use a less water soluble P fertilizer. The second approach uses a combination of interviews, expert knowledge and relationships to develop a Bayesian Network that describes P exports. The knowledge integration process helped stakeholders develop a comprehensive understanding of the problem. The Network, presented in the form of a "cause and effect", diagram provided a simple, visual representation of current knowledge that could be easily applied to individual circumstances and isolate factors having the greatest influence on P loss. Both approaches demonstrate that modeling P losses and mitigation strategies does not have to cover every process or permutation and that a degree of uncertainty can be handled to create a working model of P losses at a farm or small catchment scale. PMID:19704140
Fogtmann, Mads; Seshamani, Sharmishtaa; Kroenke, Christopher; Cheng, Xi; Chapman, Teresa; Wilm, Jakob; Rousseau, François
2014-01-01
This paper presents an approach to 3-D diffusion tensor image (DTI) reconstruction from multi-slice diffusion weighted (DW) magnetic resonance imaging acquisitions of the moving fetal brain. Motion scatters the slice measurements in the spatial and spherical diffusion domain with respect to the underlying anatomy. Previous image registration techniques have been described to estimate the between slice fetal head motion, allowing the reconstruction of 3-D a diffusion estimate on a regular grid using interpolation. We propose Approach to Unified Diffusion Sensitive Slice Alignment and Reconstruction (AUDiSSAR) that explicitly formulates a process for diffusion direction sensitive DW-slice-to-DTI-volume alignment. This also incorporates image resolution modeling to iteratively deconvolve the effects of the imaging point spread function using the multiple views provided by thick slices acquired in different anatomical planes. The algorithm is implemented using a multi-resolution iterative scheme and multiple real and synthetic data are used to evaluate the performance of the technique. An accuracy experiment using synthetically created motion data of an adult head and a experiment using synthetic motion added to sedated fetal monkey dataset show a significant improvement in motion-trajectory estimation compared to a state-of-the-art approaches. The performance of the method is then evaluated on challenging but clinically typical in utero fetal scans of four different human cases, showing improved rendition of cortical anatomy and extraction of white matter tracts. While the experimental work focuses on DTI reconstruction (second-order tensor model), the proposed reconstruction framework can employ any 5-D diffusion volume model that can be represented by the spatial parameterizations of an orientation distribution function. PMID:24108711
Díez, C.J.; Cabellos, O.; Martínez, J.S.
2015-01-15
Several approaches have been developed in last decades to tackle nuclear data uncertainty propagation problems of burn-up calculations. One approach proposed was the Hybrid Method, where uncertainties in nuclear data are propagated only on the depletion part of a burn-up problem. Because only depletion is addressed, only one-group cross sections are necessary, and hence, their collapsed one-group uncertainties. This approach has been applied successfully in several advanced reactor systems like EFIT (ADS-like reactor) or ESFR (Sodium fast reactor) to assess uncertainties on the isotopic composition. However, a comparison with using multi-group energy structures was not carried out, and has to be performed in order to analyse the limitations of using one-group uncertainties.
NASA Astrophysics Data System (ADS)
Díez, C. J.; Cabellos, O.; Martínez, J. S.
2015-01-01
Several approaches have been developed in last decades to tackle nuclear data uncertainty propagation problems of burn-up calculations. One approach proposed was the Hybrid Method, where uncertainties in nuclear data are propagated only on the depletion part of a burn-up problem. Because only depletion is addressed, only one-group cross sections are necessary, and hence, their collapsed one-group uncertainties. This approach has been applied successfully in several advanced reactor systems like EFIT (ADS-like reactor) or ESFR (Sodium fast reactor) to assess uncertainties on the isotopic composition. However, a comparison with using multi-group energy structures was not carried out, and has to be performed in order to analyse the limitations of using one-group uncertainties.
Radiation Transport for Explosive Outflows: A Multigroup Hybrid Monte Carlo Method
NASA Astrophysics Data System (ADS)
Wollaeger, Ryan T.; van Rossum, Daniel R.; Graziani, Carlo; Couch, Sean M.; Jordan, George C., IV; Lamb, Donald Q.; Moses, Gregory A.
2013-12-01
We explore Implicit Monte Carlo (IMC) and discrete diffusion Monte Carlo (DDMC) for radiation transport in high-velocity outflows with structured opacity. The IMC method is a stochastic computational technique for nonlinear radiation transport. IMC is partially implicit in time and may suffer in efficiency when tracking MC particles through optically thick materials. DDMC accelerates IMC in diffusive domains. Abdikamalov extended IMC and DDMC to multigroup, velocity-dependent transport with the intent of modeling neutrino dynamics in core-collapse supernovae. Densmore has also formulated a multifrequency extension to the originally gray DDMC method. We rigorously formulate IMC and DDMC over a high-velocity Lagrangian grid for possible application to photon transport in the post-explosion phase of Type Ia supernovae. This formulation includes an analysis that yields an additional factor in the standard IMC-to-DDMC spatial interface condition. To our knowledge the new boundary condition is distinct from others presented in prior DDMC literature. The method is suitable for a variety of opacity distributions and may be applied to semi-relativistic radiation transport in simple fluids and geometries. Additionally, we test the code, called SuperNu, using an analytic solution having static material, as well as with a manufactured solution for moving material with structured opacities. Finally, we demonstrate with a simple source and 10 group logarithmic wavelength grid that IMC-DDMC performs better than pure IMC in terms of accuracy and speed when there are large disparities between the magnitudes of opacities in adjacent groups. We also present and test our implementation of the new boundary condition.
Piserchia, Andrea; Barone, Vincenzo
2016-08-01
A generalization to arbitrary large amplitude motions of a recent approach to the evaluation of diffusion tensors [ J. Comput. Chem. , 2009 , 30 , 2 - 13 ] is presented and implemented in a widely available package for electronic structure computations. A fully black-box tool is obtained, which, starting from the generation of geometric structures along different kinds of paths, proceeds toward the evaluation of an effective diffusion tensor and to the solution of one-dimensional Smoluchowski equations by a robust numerical approach rooted in the discrete variable representation (DVR). Application to a number of case studies shows that the results issuing from our approach are identical to those delivered by previous software (in particular DiTe) for rigid scans along a dihedral angle, but can be improved by employing relaxed scans (i.e., constrained geometry optimizations) or even more general large amplitude paths. The theoretical and numerical background is robust and general enough to allow quite straightforward extensions in several directions (e.g., inclusion of reactive paths, solution of Fokker-Planck or stochastic Liouville equations, multidimensional problems, free-energy rather than electronic-energy driven processes). PMID:27403666
An analytical approach on effect of diffusion layer on ORR for PEMFCs
NASA Astrophysics Data System (ADS)
Mirzazadeh, J.; Saievar-Iranizad, E.; Nahavandi, L.
The effect of an immobilized diffusion layer on the catalyst layer and the oxygen reduction reaction in polymer electrolyte fuel cells (PEMFCs) have been studied. Since, the oxygen reduction reaction is an inhibitive reaction, much effort has been devoted to the improvement of this reaction in PEMFCs. In this work, the effect of an immobilised hydrophobe carbon layer as the diffusion layer in the gas diffusion electrode has been evaluated. The study of various electrochemical methods in this research, as well as the evaluation of cell polarisation curves showed that the efficiency of electrodes with the diffusion layer in the high current density regions is higher than the electrodes with no diffusion layer. While in the lower current density region the electrodes without the diffusion layer are more efficient than the other type.
Two approaches to glassy dynamics and diffusion on actin filament networks
NASA Astrophysics Data System (ADS)
Snider, Joseph
In spite of mass effort to understand glasses, basic features are still not completely known. Even whether or not glasses, as in windows, bottles, etc., are solids or liquids is not settled, let alone their thermodynamics. To make some headway in understanding glasses, this dissertation will take two distinct approaches. First, a direct simulation of a glassy system will be performed and compared to experiments, and from this the thermodynamics will be found. Second, rather than looking directly at a specific system, a general energy landscape appropriate for glass will be considered, and a new numeric technique to exactly calculate thermodynamic quantities will be presented and applied. The second part of this thesis will study diffusion on actin filament networks. Intracellular molecular motor-driven transport is essential for such diverse processes as mitosis, neuronal function, and mitochondrial transport. In vitro studies clarify these motors' function at the single molecule level but fail to elucidate how effective transport emerges from the collective behavior of multiple motors on a filamentary network. We investigate how the combined system of Myosin-V (MV) motors plus actin filaments is used to transport pigment granules in Xenopus melanophores. By analyzing single particle tracking data, we construct simulations and test a hypothesis that cells regulate transport by controlling how often granules switch from one filament to another, rather than, for example, altering motor activity at the single molecule level.
Deformation of PEM fuel cell gas diffusion layers under compressive loading: An analytical approach
NASA Astrophysics Data System (ADS)
Norouzifard, Vahid; Bahrami, Majid
2014-10-01
In the PEM fuel cell stack, the fibrous porous gas diffusion layer (GDL) provides mechanical support for the membrane assembly against the compressive loads imposed by bipolar plates. In this study, a new mechanistic model is developed using fundamental beam theory that can accurately predict the mechanical deflection of GDL under compressive loads. The present analytical model is built on a unit cell approach, which assumes a simplified geometry for the complex and random GDL microstructure. The model includes salient microstructural parameters and properties of the fibrous porous medium including: carbon fiber diameter, fiber elastic modulus, pore size distribution, and porosity. Carbon fiber bending is proved to be the main deformation mechanism at the unit cell level. A comprehensive optical measurement study with statistical analysis is performed to determine the geometrical parameters of the model for a number of commercially available GDL samples. A comparison between the present model and our experimental stress-strain data shows a good agreement for the linear deformation region, where the compressive pressure is higher than 1 MPa.
Modeling Lymphoma Growth in an Evolving Lymph Node Using a Diffuse Domain Approach
NASA Astrophysics Data System (ADS)
Chuang, Yao-Li; Cristini, Vittorio; Chen, Ying; Li, Xiangrong; Frieboes, Hermann; Lowengrub, John
2012-11-01
Tumor growth often poses as a multiphase free-boundary problem as tumor cells aggregate into distinct subdomains due to differentiated cell-cell and cell-matrix adhesion. In ``Three-dimensional multispecies nonlinear tumor growth - I Model and numerical method'' [Wise et al., J. Theor. Biol. 253, pp. 524-543 (2008)], we have developed a multiphase Cahn-Hilliard model to study morphological patterns of tumor growth in a homogeneous open environment, and the results resembled in-vitro experiments. In living tissues, however, tumors are often confined in a closed environment of an organ, where the tissue geometry can also evolve in response to the pressure of tumor growth. Here we adapt our previous Cahn-Hilliard tumor growth model to an evolving geometry using a recently developed diffuse domain approach. We use the model to study the growth of lymphoma in a lymph node that swells during the process. An angiogenesis model for tumor-induced vasculature is also adapted to investigate substrate distribution and drug delivery within the lymph node. Supported by NIH-PSOC grant 1U54CA143907-01.
Fletcher, P Thomas; Tao, Ran; Jeong, Won-Ki; Whitaker, Ross T
2007-01-01
In this paper we present a volumetric approach for quantitatively studying white matter connectivity from diffusion tensor magnetic resonance imaging (DT-MRI). The proposed method is based on a minimization of path cost between two regions, defined as the integral of local costs that are derived from the full tensor data along the path. We solve the minimal path problem using a Hamilton-Jacobi formulation of the problem and a new, fast iterative method that computes updates on the propagating front of the cost function at every point. The solutions for the fronts emanating from the two initial regions are combined, giving a voxel-wise connectivity measurement of the optimal paths between the regions that pass through those voxels. The resulting high-connectivity voxels provide a volumetric representation of the white matter pathway between the terminal regions. We quantify the tensor data along these pathways using nonparametric regression of the tensors and of derived measures as a function of path length. In this way we can obtain volumetric measures on white-matter tracts between regions without any explicit integration of tracts. We demonstrate the proposed method on several fiber tracts from DT-MRI data of the normal human brain. PMID:17633712
Self-organizing maps as an approach to exploring spatiotemporal diffusion patterns
2013-01-01
Background Self-organizing maps (SOMs) have now been applied for a number of years to identify patterns in large datasets; yet, their application in the spatiotemporal domain has been lagging. Here, we demonstrate how spatialtemporal disease diffusion patterns can be analysed using SOMs and Sammon’s projection. Methods SOMs were applied to identify synchrony between spatial locations, to group epidemic waves based on similarity of diffusion pattern and to construct sequence of maps of synoptic states. The Sammon’s projection was used to created diffusion trajectories from the SOM output. These methods were demonstrated with a dataset that reports Measles outbreaks that took place in Iceland in the period 1946–1970. The dataset reports the number of Measles cases per month in 50 medical districts. Results Both stable and incidental synchronisation between medical districts were identified as well as two distinct groups of epidemic waves, a uniformly structured fast developing group and a multiform slow developing group. Diffusion trajectories for the fast developing group indicate a typical diffusion pattern from Reykjavik to the northern and eastern parts of the island. For the other group, diffusion trajectories are heterogeneous, deviating from the Reykjavik pattern. Conclusions This study demonstrates the applicability of SOMs (combined with Sammon’s Projection and GIS) in spatiotemporal diffusion analyses. It shows how to visualise diffusion patterns to identify (dis)similarity between individual waves and between individual waves and an overall time-series performing integrated analysis of synchrony and diffusion trajectories. PMID:24359538
Effect of temperature on fast hydrogen diffusion in iron: A path-integral quantum dynamics approach
NASA Astrophysics Data System (ADS)
Kimizuka, Hajime; Mori, Hideki; Ogata, Shigenobu
2011-03-01
Here we explicitly present the diffusion coefficients (D) and activation energies (Ea) of interstitial H in α-Fe over a temperature range of 100 to 1000 K. These values were predicted by applying path-integral molecular dynamics modeling based on first principles. The obtained D and Ea values exhibit clear non-Arrhenius temperature dependence and a transition from quantum to classical behavior at around 500 K. Our results show that the quantum effects not only significantly lower the diffusion barrier but also change the diffusion pathway even at room temperature; thus, fast diffusion becomes possible.
NASA Astrophysics Data System (ADS)
Ansari, Rafat R.; Suh, Kwang I.; Sebag, J.
2006-02-01
PURPOSE: Pharmacologic vitreolysis is a new approach to improve vitreo-retinal surgery. Ultimately, the development of drugs to liquefy and detach vitreous from retina should prevent disease by mitigating the contribution of vitreous to retinopathy and eliminate the need for surgery. However, the mechanism of action of pharmacologic vitreolysis remains unclear. The technique of Dynamic light scattering (DLS) was used to evaluate the effects of microplasmin by following the diffusion coefficients of spherical polystyrene nano-particles injected with microplasmin into the vitreous. METHODS: Diffusion coefficients in dissected (n=9) porcine eyes were measured in vitro. DLS was performed on all specimens at 37°C as often as every 10 minutes for up to 6 hours following injections of human recombinant microplasmin at doses ranging from 0.125 mg to 0.8 mg, with 20 nm diameter tracer nanospheres. RESULTS: DLS findings in untreated porcine vitreous were similar to the previously described findings in bovine and human vitreous, demonstrating a fast (early) component, resulting from the flexible hyaluronan molecules, and a slow (late) component, resulting form the stiff collagen molecules. Microplasmin increased porcine vitreous diffusion coefficients. A new approach was developed to use DLS measurements of vitreous diffusion coefficients to evaluate the effects of microplasmin in intact eyes. CONCLUSIONS: Pharmacologic vitreolysis with human recombinant microplasmin increases vitreous diffusion coefficients in vitro. The results of these studies indicate that this new approach using DLS to measure vitreous diffusion coefficients can be used to study the effects of pharmacologic vitreolysis using microplasmin and other agents in intact eyes and ultimately in vivo.
Ding, Jingtao; Xi, Beidou; Gao, Rutai; He, Liansheng; Liu, Hongliang; Dai, Xuanli; Yu, Yijun
2014-06-15
Nitrate (NO3(-)) pollution is a severe problem in aquatic systems in Taihu Lake Basin in China. A dual isotope approach (δ(15)NNO3(-) and δ(18)ONO3(-)) was applied to identify diffused NO3(-) inputs in a stream in an agricultural field at the basin in 2013. The site-specific isotopic characteristics of five NO3(-) sources (atmospheric deposition, AD; NO3(-) derived from soil organic matter nitrification, NS; NO3(-) derived from chemical fertilizer nitrification, NF; groundwater, GW; and manure and sewage, M&S) were identified. NO3(-) concentrations in the stream during the rainy season [mean±standard deviation (SD)=2.5±0.4mg/L] were lower than those during the dry season (mean±SD=4.0±0.5mg/L), whereas the δ(18)ONO3(-) values during the rainy season (mean±SD=+12.3±3.6‰) were higher than those during the dry season (mean±SD=+0.9±1.9‰). Both chemical and isotopic characteristics indicated that mixing with atmospheric NO3(-) resulted in the high δ(18)O values during the rainy season, whereas NS and M&S were the dominant NO3(-) sources during the dry season. A Bayesian model was used to determine the contribution of each NO3(-) source to total stream NO3(-). Results showed that reduced N nitrification in soil zones (including soil organic matter and fertilizer) was the main NO3(-) source throughout the year. M&S contributed more NO3(-) during the dry season (22.4%) than during the rainy season (17.8%). AD generated substantial amounts of NO3(-) in May (18.4%), June (29.8%), and July (24.5%). With the assessment of temporal variation of diffused NO3(-) sources in agricultural field, improved agricultural management practices can be implemented to protect the water resource and avoid further water quality deterioration in Taihu Lake Basin. PMID:24686140
Storylines of research in diffusion of innovation: a meta-narrative approach to systematic review.
Greenhalgh, Trisha; Robert, Glenn; Macfarlane, Fraser; Bate, Paul; Kyriakidou, Olympia; Peacock, Richard
2005-07-01
Producing literature reviews of complex evidence for policymaking questions is a challenging methodological area. There are several established and emerging approaches to such reviews, but unanswered questions remain, especially around how to begin to make sense of large data sets drawn from heterogeneous sources. Drawing on Kuhn's notion of scientific paradigms, we developed a new method-meta-narrative review-for sorting and interpreting the 1024 sources identified in our exploratory searches. We took as our initial unit of analysis the unfolding 'storyline' of a research tradition over time. We mapped these storylines by using both electronic and manual tracking to trace the influence of seminal theoretical and empirical work on subsequent research within a tradition. We then drew variously on the different storylines to build up a rich picture of our field of study. We identified 13 key meta-narratives from literatures as disparate as rural sociology, clinical epidemiology, marketing and organisational studies. Researchers in different traditions had conceptualised, explained and investigated diffusion of innovations differently and had used different criteria for judging the quality of empirical work. Moreover, they told very different over-arching stories of the progress of their research. Within each tradition, accounts of research depicted human characters emplotted in a story of (in the early stages) pioneering endeavour and (later) systematic puzzle-solving, variously embellished with scientific dramas, surprises and 'twists in the plot'. By first separating out, and then drawing together, these different meta-narratives, we produced a synthesis that embraced the many complexities and ambiguities of 'diffusion of innovations' in an organisational setting. We were able to make sense of seemingly contradictory data by systematically exposing and exploring tensions between research paradigms as set out in their over-arching storylines. In some traditions
A new approach to quantifying internal diffusion resistances and CO2 isotope exchange in leaves
NASA Astrophysics Data System (ADS)
West, Jason; Ogée, Jérôme; Burlett, Régis; Gimeno, Teresa; Genty, Bernard; Jones, Samuel; Wohl, Steven; Bosc, Alexandre; Wingate, Lisa
2016-04-01
The oxygen isotopic composition (δ18O) of atmospheric CO2 can constrain the global CO2 budget at a range of scales, offering the potential to partition net CO2 exchanges into their component gross fluxes and provide insights to linkages between C and water cycles. However, there are significant limitations to utilizing the δ18O of CO2 to constrain C budgets because of uncertainties associated with the isotopic exchange of CO2 with terrestrial water pools. Leaf water in particular represents a critical pool with ongoing debates about its enrichment in heavy isotopes during transpiration and the hydration of CO2 and its oxygen isotope exchange with this pool. Isotopic heterogeneity of the leaf water, the spatial distribution and activity of carbonic anhydrase (CA) within leaves, and resistance to diffusion of CO2 from the substomatal cavity to chloroplasts are all key components with important uncertainties. Better constraints on these would significantly improve our ability to understand and model the global C budget as well as yield insights to fundamental aspects of leaf physiology. We report results using a new measurement system that permits the simultaneous measurement of the 13C and 18O composition of CO2 and the 18O isotopic composition of leaf transpiration. As this new approach permits rapid alteration of the isotopic composition of gases interacting with the leaf, key model parameters can be derived directly and simultaneously. Hence, our approach dos not rely on separate measurements shifted in time from the gas exchange measurements or that may not quantify the relevant scale of heterogeneity (e.g., CA enzyme assays or bulk leaf water extraction and analysis). In particular, this new method explicitly distinguishes the leaf mesophyll resistance to CO2 transport relevant for photosynthesis from the resistance required for interpreting the δ18O of CO2 and allows us to derive other relevant parameters directly. This new measurement system and modeling
A novel approach to modelling water transport and drug diffusion through the stratum corneum
2010-01-01
Background The potential of using skin as an alternative path for systemically administering active drugs has attracted considerable interest, since the creation of novel drugs capable of diffusing through the skin would provide a great step towards easily applicable -and more humane- therapeutic solutions. However, for drugs to be able to diffuse, they necessarily have to cross a permeability barrier: the stratum corneum (SC), the uppermost set of skin layers. The precise mechanism by which drugs penetrate the skin is generally thought to be diffusion of molecules through this set of layers following a "tortuous pathway" around corneocytes, i.e. impermeable dead cells. Results In this work, we simulate water transport and drug diffusion using a three-dimensional porous media model. Our numerical simulations show that diffusion takes place through the SC regardless of the direction and magnitude of the fluid pressure gradient, while the magnitude of the concentrations calculated are consistent with experimental studies. Conclusions Our results support the possibility for designing arbitrary drugs capable of diffusing through the skin, the time-delivery of which is solely restricted by their diffusion and solubility properties. PMID:20716360
On the Biogeography of Centipeda: A Species-Tree Diffusion Approach
Nylinder, Stephan; Lemey, Philippe; De Bruyn, Mark; Suchard, Marc A.; Pfeil, Bernard E.; Walsh, Neville; Anderberg, Arne A.
2014-01-01
Reconstructing the biogeographic history of groups present in continuous arid landscapes is challenging due to the difficulties in defining discrete areas for analyses, and even more so when species largely overlap both in terms of geography and habitat preference. In this study, we use a novel approach to estimate ancestral areas for the small plant genus Centipeda. We apply continuous diffusion of geography by a relaxed random walk where each species is sampled from its extant distribution on an empirical distribution of time-calibrated species-trees. Using a distribution of previously published substitution rates of the internal transcribed spacer (ITS) for Asteraceae, we show how the evolution of Centipeda correlates with the temporal increase of aridity in the arid zone since the Pliocene. Geographic estimates of ancestral species show a consistent pattern of speciation of early lineages in the Lake Eyre region, with a division in more northerly and southerly groups since ∼840 ka. Summarizing the geographic slices of species-trees at the time of the latest speciation event (∼20 ka), indicates no presence of the genus in Australia west of the combined desert belt of the Nullabor Plain, the Great Victoria Desert, the Gibson Desert, and the Great Sandy Desert, or beyond the main continental shelf of Australia. The result indicates all western occurrences of the genus to be a result of recent dispersal rather than ancient vicariance. This study contributes to our understanding of the spatiotemporal processes shaping the flora of the arid zone, and offers a significant improvement in inference of ancestral areas for any organismal group distributed where it remains difficult to describe geography in terms of discrete areas. PMID:24335493
Development of a new two-dimensional Cartesian geometry nodal multigroup discrete-ordinates method
Pevey, R.E.
1982-07-01
The purpose of this work is the development and testing of a new family of methods for calculating the spatial dependence of the neutron density in nuclear systems described in two-dimensional Cartesian geometry. The energy and angular dependence of the neutron density is approximated using the multigroup and discrete ordinates techniques, respectively. The resulting FORTRAN computer code is designed to handle an arbitrary number of spatial, energy, and angle subdivisions. Any degree of scattering anisotropy can be handled by the code for either external source or fission systems. The basic approach is to (1) approximate the spatial variation of the neutron source across each spatial subdivision as an expansion in terms of a user-supplied set of exponential basis functions; (2) solve analytically for the resulting neutron density inside each region; and (3) approximate this density in the basis function space in order to calculate the next iteration flux-dependent source terms. In the general case the calculation is iterative due to neutron sources which depend on the neutron density itself, such as scattering interactions.
NASA Astrophysics Data System (ADS)
Candoré, Jean Charles; Bodnar, J. L.; Detalle, Vincent; Remy, B.; Grossel, Philippe
2010-03-01
In this paper we present, in an experimental way, the possibilities of front face photothermal radiometry to measure, in situ, the longitudinal thermal diffusivity of mural paintings. First, we present the principle of the method of measurement. Then, we present the experimental device implemented for the study. Finally, we show, using the experimental study of a plaster sample, the photothermal method allows in a particular case, a good approximation of the parameter longitudinal thermal diffusivity.
Stochastic approach to diffusion inside the chaotic layer of a resonance.
Mestre, Martín F; Bazzani, Armando; Cincotta, Pablo M; Giordano, Claudia M
2014-01-01
We model chaotic diffusion in a symplectic four-dimensional (4D) map by using the result of a theorem that was developed for stochastically perturbed integrable Hamiltonian systems. We explicitly consider a map defined by a free rotator (FR) coupled to a standard map (SM). We focus on the diffusion process in the action I of the FR, obtaining a seminumerical method to compute the diffusion coefficient. We study two cases corresponding to a thick and a thin chaotic layer in the SM phase space and we discuss a related conjecture stated in the past. In the first case, the numerically computed probability density function for the action I is well interpolated by the solution of a Fokker-Planck (FP) equation, whereas it presents a nonconstant time shift with respect to the concomitant FP solution in the second case suggesting the presence of an anomalous diffusion time scale. The explicit calculation of a diffusion coefficient for a 4D symplectic map can be useful to understand the slow diffusion observed in celestial mechanics and accelerator physics. PMID:24580301
Marí, Antonio; Morla, Arnaud; Melero, Mireia; Schiavone, Rocio; Rodríguez, Jesus
2014-12-01
Diffuse sclerosing osteomyelitis of the mandible is now considered a local manifestation of SAPHO syndrome. This rare condition is thought to be of auto-inflammatory origin. The myriad of treatments shown in the literature, are basically empirical and reflect its unknown origin. We present a clinical case of refractory DSO treated with an anti-TNF drug (etanercept) with complete clinical remission. We advise against radical surgery and an interdisciplinary approach is recommended. A systematic literature review was also conducted. PMID:25441866
NASA Astrophysics Data System (ADS)
Dumouchel, Christophe; Ménard, Thibaut; Aniszewski, Wojciech
2015-11-01
Recent investigations have presented an application of the scale entropy diffusion theory to model liquid atomization process. This theory describes multi-scale behavior by a diffusion equation of the scale entropy function. In atomization, this function is related to the scale-distribution which provides a measurement of the specific-length of the eroded liquid system according to the scale of erosion. The present paper performs a detailed description of the scale diffusion mechanism for the atomization process of a liquid jet emanating from a gasoline injector with the objective of determining the scale diffusivity parameter introduced by the diffusion theory. The 2-D description of the gasoline jet as a function of the injection pressure reveals that the scale space is divided into two regions according to the sign of the scale specific-length variation rate: The small-scale region refers to the scales that undergo an elongation mechanism whereas the large-scale region concerns the scales that undergo a contraction mechanism. Furthermore, two phases of the atomization process are identified depending on whether the elongation mechanism is governed by the jet dynamics or surface tension effects. A non-dimensional number segregating these two phases is established. During the atomization process, the contraction mechanism diffuses in the small scale region. This manifests by a temporal decrease of the scale with a zero specific-length variation. It is found that the scale diffusivity parameter can be determined from the evolution of this characteristic scale in the second phase of the atomization process.
Leonardi, Erminia; Angeli, Celestino
2010-01-14
The diffusion process in a multicomponent system can be formulated in a general form by the generalized Maxwell-Stefan equations. This formulation is able to describe the diffusion process in different systems, such as, for instance, bulk diffusion (in the gas, liquid, and solid phase) and diffusion in microporous materials (membranes, zeolites, nanotubes, etc.). The Maxwell-Stefan equations can be solved analytically (only in special cases) or by numerical approaches. Different numerical strategies have been previously presented, but the number of diffusing species is normally restricted, with only few exceptions, to three in bulk diffusion and to two in microporous systems, unless simplifications of the Maxwell-Stefan equations are considered. In the literature, a large effort has been devoted to the derivation of the analytic expression of the elements of the Fick-like diffusion matrix and therefore to the symbolic inversion of a square matrix with dimensions n x n (n being the number of independent components). This step, which can be easily performed for n = 2 and remains reasonable for n = 3, becomes rapidly very complex in problems with a large number of components. This paper addresses the problem of the numerical resolution of the Maxwell-Stefan equations in the transient regime for a one-dimensional system with a generic number of components, avoiding the definition of the analytic expression of the elements of the Fick-like diffusion matrix. To this aim, two approaches have been implemented in a computational code; the first is the simple finite difference second-order accurate in time Crank-Nicolson scheme for which the full mathematical derivation and the relevant final equations are reported. The second is based on the more accurate backward differentiation formulas, BDF, or Gear's method (Shampine, L. F. ; Gear, C. W. SIAM Rev. 1979, 21, 1.), as implemented in the Livermore solver for ordinary differential equations, LSODE (Hindmarsh, A. C. Serial
NASA Astrophysics Data System (ADS)
Brassard, Pierre; Fontaine, Gilles
2015-06-01
The accretion-diffusion picture is the model par excellence for describing the presence of planetary debris polluting the atmospheres of relatively cool white dwarfs. In the time-dependent approach used in Paper II of this series (Fontaine et al. 2014), the basic assumption is that the accreted metals are trace elements and do not influence the background structure, which may be considered static in time. Furthermore, the usual assumption of instantaneous mixing in the convection zone is made. As part of the continuing development of our local evolutionary code, diffusion in presence of stellar winds or accretion is now fully coupled to evolution. Convection is treated as a diffusion process, i.e., the assumption of instantaneous mixing is relaxed, and, furthermore, overshooting is included. This allows feedback on the evolving structure from the accreting metals. For instance, depending of its abundance, a given metal may contribute enough to the overall opacity (especially in a He background) to change the size of the convection zone as a function of time. Our better approach also allows to include in a natural way the mechanism of thermohaline convection, which we discuss at some length. Also, it is easy to consider sophisticated time-dependent models of accretion from circumstellar disks, such as those developed by Roman Rafikov at Princeton for instance. The current limitations of our approach are 1) the calculations are extremely computer-intensive, and 2) we have not yet developed detailed EOS megatables for metals beyond oxygen.
NASA Astrophysics Data System (ADS)
Hawkins, J. M. B.; Blackwell, M. S. A.; Granger, S.; Chadwick, D.; Haygarth, P.; Bol, R.
2009-04-01
Despite the abundance of literature reporting both riparian and non-riparian buffer strip performance in the control of diffuse pollutants from agriculture, the spatial and temporal mechanistics of the processes involved are poorly understood. As a result, buffer zones have often been implemented incorrectly and have failed to deliver the benefits expected of them. One of the main challenges with buffer zone effectiveness has been found to be their by-passing by the passage of polluted water through sub-surface drains which in many regions of the UK has regularly been shown to greatly limit their value with regard to nutrient control [MAFF report, Leeds-Harrison 1996]. In addition, little work has been carried out on the role of additional, complementary structural buffering methods such as managed ditches and ponds, which may provide more benefits, especially if used either alongside or instead of the more conventional use of buffer strips. This paper describes a new 5 year Defra funded project*, which is using a multi-scaled approach to understand the abiotic and biotic drivers of the short-term and ‘long-term' effectiveness of conventional grassed buffer strips. At the field scale, we are using high resolution monitoring methods to compare the effectiveness of other mitigation methods including buffer strips enhanced with subsurface bioreactors, managed ditches, and ponds, to control a range of water pollutants and hydrology. Each of the mitigation methods is being investigated both individually, and as part of a strategic modular network of mitigation methods in a purposely constructed and replicated experimental site. References Leeds-Harrison , P. B., Quinton, J. N., Walker, M., Harrison, K. S., Gowing, D. G., Tyrrel, S. F., Morris, J., Mills, J., and Harrod, T. (1996). "Buffer zones in headwater catchments ". MAFF-English Nature Buffer Zone project CSA 2285, Cranfield University, Silsoe, Bedford, UK. *Link to Defra website: http://randd.defra.gov.uk
NASA Astrophysics Data System (ADS)
Limkumnerd, Surachate
2014-03-01
Interest in thin-film fabrication for industrial applications have driven both theoretical and computational aspects of modeling its growth. One of the earliest attempts toward understanding the morphological structure of a film's surface is through a class of solid-on-solid limited-mobility growth models such as the Family, Wolf-Villain, or Das Sarma-Tamborenea models, which have produced fascinating surface roughening behaviors. These models, however, restrict the motion of an incidence atom to be within the neighborhood of its landing site, which renders them inept for simulating long-distance surface diffusion such as that observed in thin-film growth using a molecular-beam epitaxy technique. Naive extension of these models by repeatedly applying the local diffusion rules for each hop to simulate large diffusion length can be computationally very costly when certain statistical aspects are demanded. We present a graph-theoretic approach to simulating a long-range diffusion-attachment growth model. Using the Markovian assumption and given a local diffusion bias, we derive the transition probabilities for a random walker to traverse from one lattice site to the others after a large, possibly infinite, number of steps. Only computation with linear-time complexity is required for the surface morphology calculation without other probabilistic measures. The formalism is applied, as illustrations, to simulate surface growth on a two-dimensional flat substrate and around a screw dislocation under the modified Wolf-Villain diffusion rule. A rectangular spiral ridge is observed in the latter case with a smooth front feature similar to that obtained from simulations using the well-known multiple registration technique. An algorithm for computing the inverse of a class of substochastic matrices is derived as a corollary.
NASA Astrophysics Data System (ADS)
Liu, Ning; Sassaroli, Angelo; Zucker, Max A.; Fantini, Sergio
2005-02-01
We present a multielement phased-array approach to diffuse optical imaging based on postprocessing of continuous-wave data for the improvement of spatial resolution. In particular, we present a theoretical and experimental analysis of the performance of a three-element source array in the study of an optically turbid medium with two embedded cylindrical inclusions. We find that the proposed phased-array approach is able to resolve two cylinders with side-to-side separation of 10 mm that are not resolved by the intensity associated with a single light source.
Energy Science and Technology Software Center (ESTSC)
1981-02-02
Version: 00 SENSIT computes the sensitivity and uncertainty of a calculated integral response (such as a dose rate) due to input cross sections and their uncertainties. Sensitivity profiles are computed for neutron and gamma-ray reaction cross sections (of standard multigroup cross-section sets) and for secondary energy distributions (SED's) of multigroup scattering matrices.
NASA Astrophysics Data System (ADS)
Burnecki, Krzysztof; Kepten, Eldad; Garini, Yuval; Sikora, Grzegorz; Weron, Aleksander
2015-06-01
Accurately characterizing the anomalous diffusion of a tracer particle has become a central issue in biophysics. However, measurement errors raise difficulty in the characterization of single trajectories, which is usually performed through the time-averaged mean square displacement (TAMSD). In this paper, we study a fractionally integrated moving average (FIMA) process as an appropriate model for anomalous diffusion data with measurement errors. We compare FIMA and traditional TAMSD estimators for the anomalous diffusion exponent. The ability of the FIMA framework to characterize dynamics in a wide range of anomalous exponents and noise levels through the simulation of a toy model (fractional Brownian motion disturbed by Gaussian white noise) is discussed. Comparison to the TAMSD technique, shows that FIMA estimation is superior in many scenarios. This is expected to enable new measurement regimes for single particle tracking (SPT) experiments even in the presence of high measurement errors.
Burnecki, Krzysztof; Kepten, Eldad; Garini, Yuval; Sikora, Grzegorz; Weron, Aleksander
2015-01-01
Accurately characterizing the anomalous diffusion of a tracer particle has become a central issue in biophysics. However, measurement errors raise difficulty in the characterization of single trajectories, which is usually performed through the time-averaged mean square displacement (TAMSD). In this paper, we study a fractionally integrated moving average (FIMA) process as an appropriate model for anomalous diffusion data with measurement errors. We compare FIMA and traditional TAMSD estimators for the anomalous diffusion exponent. The ability of the FIMA framework to characterize dynamics in a wide range of anomalous exponents and noise levels through the simulation of a toy model (fractional Brownian motion disturbed by Gaussian white noise) is discussed. Comparison to the TAMSD technique, shows that FIMA estimation is superior in many scenarios. This is expected to enable new measurement regimes for single particle tracking (SPT) experiments even in the presence of high measurement errors. PMID:26065707
Dynamics of the diffusive DM-DE interaction – Dynamical system approach
NASA Astrophysics Data System (ADS)
Haba, Zbigniew; Stachowski, Aleksander; Szydłowski, Marek
2016-07-01
We discuss dynamics of a model of an energy transfer between dark energy (DE) and dark matter (DM) . The energy transfer is determined by a non-conservation law resulting from a diffusion of dark matter in an environment of dark energy. The relativistic invariance defines the diffusion in a unique way. The system can contain baryonic matter and radiation which do not interact with the dark sector. We treat the Friedman equation and the conservation laws as a closed dynamical system. The dynamics of the model is examined using the dynamical systems methods for demonstration how solutions depend on initial conditions. We also fit the model parameters using astronomical observation: SNIa, H(z), BAO and Alcock-Paczynski test. We show that the model with diffuse DM-DE is consistent with the data.
Carbon diffusion in bulk hcp zirconium: A multi-scale approach
NASA Astrophysics Data System (ADS)
Xu, Y.; Roques, J.; Domain, C.; Simoni, E.
2016-05-01
In the framework of the geological repository of the used fuel claddings of pressurized water reactor, carbon behavior in bulk zirconium is studied by periodic Density Functional Theory calculations. The C interstitial sites were investigated and it was found that there are two possible carbon interstitial sites: a distorted basal tetragonal site and an octahedral site. There are four types of possible atomic jumps between them. After calculating the migration energies, the attempt frequencies and the jump probabilities for each possible migration path, kinetic Monte Carlo (KMC) simulations were performed to simulate carbon diffusion at the macroscopic scale. The results show that carbon diffusion in pure Zr bulk is extremely limited at the storage temperature (50 °C). Since there are defects in Zr bulk, in a second step, the effect of atomic vacancy was studied and it was proved that vacancies cannot increase carbon diffusion.
Using SAS PROC TCALIS for multigroup structural equation modelling with mean structures.
Gu, Fei; Wu, Wei
2011-11-01
Multigroup structural equation modelling (SEM) is a technique frequently used to evaluate measurement invariance in social and behavioural science research. Before version 9.2, SAS was incapable of handling multigroup SEM. However, this limitation is resolved in PROC TCALIS in SAS 9.2. For the purpose of illustration, this paper provides a step-by-step guide to programming the tests of measurement invariance and partial invariance using PROC TCALIS for multigroup SEM with mean structures. Fit indices and parameter estimates are validated, thus providing an alternative tool for researchers conducting both applied and simulated studies. Other new features (e.g., different types of modelling languages and estimation methods) and limitations (e.g., ordered-categorical SEM and multilevel SEM) of the TCALIS procedure are also briefly discussed. PMID:21973099
Ye, Chuyang; Murano, Emi; Stone, Maureen; Prince, Jerry L
2015-10-01
The tongue is a critical organ for a variety of functions, including swallowing, respiration, and speech. It contains intrinsic and extrinsic muscles that play an important role in changing its shape and position. Diffusion tensor imaging (DTI) has been used to reconstruct tongue muscle fiber tracts. However, previous studies have been unable to reconstruct the crossing fibers that occur where the tongue muscles interdigitate, which is a large percentage of the tongue volume. To resolve crossing fibers, multi-tensor models on DTI and more advanced imaging modalities, such as high angular resolution diffusion imaging (HARDI) and diffusion spectrum imaging (DSI), have been proposed. However, because of the involuntary nature of swallowing, there is insufficient time to acquire a sufficient number of diffusion gradient directions to resolve crossing fibers while the in vivo tongue is in a fixed position. In this work, we address the challenge of distinguishing interdigitated tongue muscles from limited diffusion magnetic resonance imaging by using a multi-tensor model with a fixed tensor basis and incorporating prior directional knowledge. The prior directional knowledge provides information on likely fiber directions at each voxel, and is computed with anatomical knowledge of tongue muscles. The fiber directions are estimated within a maximum a posteriori (MAP) framework, and the resulting objective function is solved using a noise-aware weighted ℓ1-norm minimization algorithm. Experiments were performed on a digital crossing phantom and in vivo tongue diffusion data including three control subjects and four patients with glossectomies. On the digital phantom, effects of parameters, noise, and prior direction accuracy were studied, and parameter settings for real data were determined. The results on the in vivo data demonstrate that the proposed method is able to resolve interdigitated tongue muscles with limited gradient directions. The distributions of the
NASA Astrophysics Data System (ADS)
Grado-Caffaro, Maria Angeles; Grado-Caffaro, Martin
2014-05-01
In this paper, we propose a diffusive-transport-based analytical formulation to calculate the linear electrical conductance through a multiwalled carbon nanotube with defects. In fact, on the one hand, by considerations on diffusive transport and, on the other hand, using the Drude model, we find out that the conductance (at Fermi energy) of an imperfect multiwalled carbon nanotube is approximately equal to the fundamental conductance quantum multiplied by the number of layers (or shells) of the tube. Our result agrees with experimental data.
Mayhew, Terry M
2014-01-01
For many organisms, respiratory gas exchange is a vital activity and different types of gas-exchange apparatus have evolved to meet individual needs. They include not only skin, gills, tracheal systems and lungs but also transient structures such as the chorioallantois of avian eggs and the placenta of eutherian mammals. The ability of these structures to allow passage of oxygen by passive diffusion can be expressed as a diffusive conductance (units: cm(3) O2 min(-1) kPa(-1)). Occasionally, the ability to estimate diffusive conductance by physiological techniques is compromised by the difficulty of obtaining O2 partial pressures on opposite sides of the tissue interface between the delivery medium (air, water, blood) and uptake medium (usually blood). An alternative strategy is to estimate a morphometric diffusive conductance by combining stereological estimates of key structural quantities (volumes, surface areas, membrane thicknesses) with complementary physicochemical data (O2-haemoglobin chemical reaction rates and Krogh's permeability coefficients). This approach has proved valuable in a variety of comparative studies on respiratory organs from diverse species. The underlying principles were formulated in pioneering studies on the pulmonary lung but are illustrated here by taking the human placenta as the gas exchanger. PMID:23069190
Improved convergence of Monte Carlo generated multi-group scattering moments
Nelson, A. G.; Martin, W. R.
2013-07-01
This paper introduces an improved method of obtaining multi-group scattering moments from a Monte Carlo neutron transport code for use in deterministic transport solvers. The new method increases the information obtained from scattering events and therefore has more useful convergence characteristics than the currently used analog techniques. A prototype of the improved method was implemented in the OpenMC Monte Carlo transport code to compare the accuracy and convergence characteristics of the new method. The prototype showed that accuracy was retained (or improved) while increasing the figure-of-merit for the generation of multi-group scattering moments. (authors)
Multigroup Constants fFle Based on ENDF/B IV.
Energy Science and Technology Software Center (ESTSC)
1980-08-13
Version 00 The multigroup constants file (JIMCOF) has been prepared based on ENDF/V-IV. JIMCOF is composed of JIMCOF/F, the file for the fast neutron energy region; JIMCOF/T, the file for the thermal neutron energy region; and PROC, the processing program. The JIMCOF file contains multigroup constants of about 100 nuclides (68 groups in the fast neutron energy region and 50 groups in the thermal neutron energy region). Selection of individual data, as well as preparationmore » of library data from the DELIGHT code series, would be possible with the use of the PROC code.« less
Embracing Learners' Ideas about Diffusion and Osmosis: A Coupled-Inquiry Approach
ERIC Educational Resources Information Center
Sweeney, Ryan M.; Martin-Hansen, Lisa; Verma, Geeta; Dunkhase, John
2009-01-01
Learning about osmosis and diffusion is often a challenging task for middle school students. Here the authors present a lesson that was converted from a "cookbook" lab (McLaughlin and Thompson 2007) into a more inquiry-oriented lab that uses inquiry teaching strategies and hands-on investigations to teach middle-grade students about osmosis and…
ERIC Educational Resources Information Center
Jordan, Catherine; Doherty, William J.; Jones-Webb, Rhonda; Cook, Nancy; Dubrow, Gail; Mendenhall, Tai J.
2012-01-01
The authors utilized interviews, competency surveys, and document review to evaluate the effectiveness of a one-year, cohort-based faculty development pilot program, grounded in diffusion of innovations theory, and aimed at increasing competencies in community engagement and community-engaged scholarship. Five innovator participants designed the…
NASA Astrophysics Data System (ADS)
Patra, Rusha; Dutta, Pranab K.
2015-07-01
Reconstruction of the absorption coefficient of tissue with good contrast is of key importance in functional diffuse optical imaging. A hybrid approach using model-based iterative image reconstruction and a genetic algorithm is proposed to enhance the contrast of the reconstructed image. The proposed method yields an observed contrast of 98.4%, mean square error of 0.638×10-3, and object centroid error of (0.001 to 0.22) mm. Experimental validation of the proposed method has also been provided with tissue-like phantoms which shows a significant improvement in image quality and thus establishes the potential of the method for functional diffuse optical tomography reconstruction with continuous wave setup. A case study of finger joint imaging is illustrated as well to show the prospect of the proposed method in clinical diagnosis. The method can also be applied to the concentration measurement of a region of interest in a turbid medium.
2016-01-01
We propose and develop a general approach based on reaction-diffusion equations for modelling a species dynamics in a realistic two-dimensional (2D) landscape crossed by linear one-dimensional (1D) corridors, such as roads, hedgerows or rivers. Our approach is based on a hybrid “2D/1D model”, i.e, a system of 2D and 1D reaction-diffusion equations with homogeneous coefficients, in which each equation describes the population dynamics in a given 2D or 1D element of the landscape. Using the example of the range expansion of the tiger mosquito Aedes albopictus in France and its main highways as 1D corridors, we show that the model can be fitted to realistic observation data. We develop a mechanistic-statistical approach, based on the coupling between a model of population dynamics and a probabilistic model of the observation process. This allows us to bridge the gap between the data (3 levels of infestation, at the scale of a French department) and the output of the model (population densities at each point of the landscape), and to estimate the model parameter values using a maximum-likelihood approach. Using classical model comparison criteria, we obtain a better fit and a better predictive power with the 2D/1D model than with a standard homogeneous reaction-diffusion model. This shows the potential importance of taking into account the effect of the corridors (highways in the present case) on species dynamics. With regard to the particular case of A. albopictus, the conclusion that highways played an important role in species range expansion in mainland France is consistent with recent findings from the literature. PMID:26986201
Roques, Lionel; Bonnefon, Olivier
2016-01-01
We propose and develop a general approach based on reaction-diffusion equations for modelling a species dynamics in a realistic two-dimensional (2D) landscape crossed by linear one-dimensional (1D) corridors, such as roads, hedgerows or rivers. Our approach is based on a hybrid "2D/1D model", i.e, a system of 2D and 1D reaction-diffusion equations with homogeneous coefficients, in which each equation describes the population dynamics in a given 2D or 1D element of the landscape. Using the example of the range expansion of the tiger mosquito Aedes albopictus in France and its main highways as 1D corridors, we show that the model can be fitted to realistic observation data. We develop a mechanistic-statistical approach, based on the coupling between a model of population dynamics and a probabilistic model of the observation process. This allows us to bridge the gap between the data (3 levels of infestation, at the scale of a French department) and the output of the model (population densities at each point of the landscape), and to estimate the model parameter values using a maximum-likelihood approach. Using classical model comparison criteria, we obtain a better fit and a better predictive power with the 2D/1D model than with a standard homogeneous reaction-diffusion model. This shows the potential importance of taking into account the effect of the corridors (highways in the present case) on species dynamics. With regard to the particular case of A. albopictus, the conclusion that highways played an important role in species range expansion in mainland France is consistent with recent findings from the literature. PMID:26986201
Exploring the limits of the ``SNB'' multi-group diffusion nonlocal model
NASA Astrophysics Data System (ADS)
Brodrick, Jonathan; Ridgers, Christopher; Kingham, Robert
2014-10-01
A correct treatment of nonlocal transport in the presence of steep temperature gradients found in laser and inertial fusion plasmas has long been highly desirable over the use of an ad-hoc flux limiter. Therefore, an implementation of the ``SNB'' nonlocal model (G P Schurtz, P D Nicolaï & M Busquet, Phys. Plas. 7, 4238 (2000)) has been benchmarked against a fully-implicit kinetic code: IMPACT. A variety of scenarios, including relaxation of temperature sinusoids and Gaussians in addition to continuous laser heating have been investigated. Results highlight the effect of neglecting electron inertia (∂f1/∂ t) as well as question the feasibility of a nonlocal model that does not continuously track the evolution of the distribution function. Deviations from the Spitzer electric fields used in the model across steep gradients are also investigated. Regimes of validity for such a model are identified and discussed, and possible improvements to the model are suggested.
ERIC Educational Resources Information Center
Macek, Victor C.
The nine Reactor Statics Modules are designed to introduce students to the use of numerical methods and digital computers for calculation of neutron flux distributions in space and energy which are needed to calculate criticality, power distribution, and fuel burnup for both slow neutron and fast neutron fission reactors. The last module, RS-9,…
NASA Astrophysics Data System (ADS)
Yochelis, Arik; Bar-On, Tomer; Gov, Nir S.
2016-04-01
Unconventional myosins belong to a class of molecular motors that walk processively inside cellular protrusions towards the tips, on top of actin filament. Surprisingly, in addition, they also form retrograde moving self-organized aggregates. The qualitative properties of these aggregates are recapitulated by a mass conserving reaction-diffusion-advection model and admit two distinct families of modes: traveling waves and pulse trains. Unlike the traveling waves that are generated by a linear instability, pulses are nonlinear structures that propagate on top of linearly stable uniform backgrounds. Asymptotic analysis of isolated pulses via a simplified reaction-diffusion-advection variant on large periodic domains, allows to draw qualitative trends for pulse properties, such as the amplitude, width, and propagation speed. The results agree well with numerical integrations and are related to available empirical observations.
An ab initio approach to the anisotropic perpendicular diffusion of galactic cosmic rays
NASA Astrophysics Data System (ADS)
Engelbrecht, Nicholas; Richardson, John; Burger, Renier
2016-07-01
The assumption that cosmic-ray diffusion perpendicular to the background magnetic field is anisotropic has been made in many numerical modulation studies. This was done in order to reproduce spacecraft observations of, for example, lower than expected latitude gradients of galactic protons. This assumption is usually justified in terms of observations of non-axisymmetric turbulent magnetic fluctuations, but is often implemented in a completely ad hoc manner. This study implements anisotropic perpendicular diffusion coefficients in an ab initio cosmic ray modulation model in a self-consistent manner, employing perpendicular mean free path expressions derived for the case where transverse magnetic fluctuations are non-axisymmetric. Voyager magnetic field observations are analysed to ascertain the nature of this non-axisymmetry, and modulation model solutions for various assumptions as to the spatial dependence of this non-axisymmetry, also taking into account the Voyager observations, are presented.
POZylation: a new approach to enhance nanoparticle diffusion through mucosal barriers
NASA Astrophysics Data System (ADS)
Mansfield, Edward D. H.; Sillence, Katy; Hole, Patrick; Williams, Adrian C.; Khutoryanskiy, Vitaliy V.
2015-08-01
The increasing use of nanoparticles in the pharmaceutical industry is generating concomitant interest in developing nanomaterials that can rapidly penetrate into, and permeate through, biological membranes to facilitate drug delivery and improve the bioavailability of active pharmaceutical ingredients. Here, we demonstrate that the permeation of thiolated silica nanoparticles through porcine gastric mucosa can be significantly enhanced by their functionalization with either 5 kDa poly(2-ethyl-2-oxazoline) or poly(ethylene glycol). Nanoparticle diffusion was assessed using two independent techniques; Nanoparticle Tracking Analysis, and fluorescence microscopy. Our results show that poly(2-ethyl-2-oxazoline) and poly(ethylene glycol) have comparable abilities to enhance diffusion of silica nanoparticles in mucin dispersions and through the gastric mucosa. These findings provide a new strategy in the design of nanomedicines, by surface modification or nanoparticle core construction, for enhanced transmucosal drug delivery.The increasing use of nanoparticles in the pharmaceutical industry is generating concomitant interest in developing nanomaterials that can rapidly penetrate into, and permeate through, biological membranes to facilitate drug delivery and improve the bioavailability of active pharmaceutical ingredients. Here, we demonstrate that the permeation of thiolated silica nanoparticles through porcine gastric mucosa can be significantly enhanced by their functionalization with either 5 kDa poly(2-ethyl-2-oxazoline) or poly(ethylene glycol). Nanoparticle diffusion was assessed using two independent techniques; Nanoparticle Tracking Analysis, and fluorescence microscopy. Our results show that poly(2-ethyl-2-oxazoline) and poly(ethylene glycol) have comparable abilities to enhance diffusion of silica nanoparticles in mucin dispersions and through the gastric mucosa. These findings provide a new strategy in the design of nanomedicines, by surface modification or
NASA Astrophysics Data System (ADS)
Suard, Maxime
We studied the near field dispersion of natural gas plumes leaking from transmission lines and diffusing in a convective Atmospheric Boundary Layer (ABL), with the intent of providing an aerial system of leak detection and pinpointing, as well as quantitative leak rate estimation. We used high frequency measurements of methane and ethane concentrations on a fixed wing aircraft using high rate spectroscopic gas concentration measurements. We looked for characteristics of the effluent concentration field which can be related to the distance from the effluent source, and developed an empirical approach to effluent source position estimation from airborne effluent concentration measurements. From a mass-balance approach we developed a practical method of effluent leak rate estimation based on airborne effluent concentration measurements. Since gathering experimental data was costly and time-expensive, Large Eddy Simulation (LES) results were also investigated. Results showed that analysis of effluent concentration variability is likely to provide information about the position of the effluent source. The developed leak rate estimation method provided encouraging results showing that such an approach is able to yield relatively accurate leak rate estimates. LES results proved to be very useful as they helped to provide guidelines for experiments as well as to deepen our understanding of the diffusion dynamics of turbulent effluent plumes.
Testing for Two-Way Interactions in the Multigroup Common Factor Model
ERIC Educational Resources Information Center
van Smeden, Maarten; Hessen, David J.
2013-01-01
In this article, a 2-way multigroup common factor model (MG-CFM) is presented. The MG-CFM can be used to estimate interaction effects between 2 grouping variables on 1 or more hypothesized latent variables. For testing the significance of such interactions, a likelihood ratio test is presented. In a simulation study, the robustness of the…
ERIC Educational Resources Information Center
Dandy, Justine; Durkin, Kevin; McEvoy, Peter; Barber, Bonnie L.; Houghton, Stephen
2008-01-01
The present study investigated the reliability and factor structure of scores on a 12-item version of Phinney's multigroup ethnic identity measure with an Australian sample from diverse cultural backgrounds. Participants were 485 students aged between 10 and 15 years. The results generally supported the reliability of the ethnic identity scale…
Multigroup Time-Independent Neutron Transport Code System for Plane or Spherical Geometry.
Energy Science and Technology Software Center (ESTSC)
1986-12-01
Version 00 PALLAS-PL/SP solves multigroup time-independent one-dimensional neutron transport problems in plane or spherical geometry. The problems solved are subject to a variety of boundary conditions or a distributed source. General anisotropic scattering problems are treated for solving deep-penetration problems in which angle-dependent neutron spectra are calculated in detail.
Diffusion of Carbon Dioxide in Cordierite-like Structures: a FTIR Imaging Approach
NASA Astrophysics Data System (ADS)
Radica, F.; Bellatreccia, F.; Della Ventura, G.; Freda, C.; Cinque, G.; Cestelli Guidi, M.
2013-12-01
In the last decades microporous and mesoporous minerals have been recognized to be very important materials from both a geological and a technological viewpoint. In this context, cordierite plays a key role since it represents the only case of a widespread microporous mineral able to trap significant amounts of molecular H2O and CO2 [1] under extreme geological conditions, spanning from the amphibolite facies to ultra-high temperature metamorphism to crustal anatexis [2]. The analysis of volatiles in cordierite can be a very useful tool to define the composition of coexisting fluids during its formation, thus a deeper knowledge of their diffusion mechanism through the structure is crucial in petrologic studies. However, it may have significant implications on technological issues such as the design of new strategies for the permanent sequestration of atmospheric CO2. The incorporation of CO2 into cordierite has been studied by several authors [1, 3], who pointed out the extreme difficulty to reach the sample saturation and homogenization, implying that in experimental studies knowledge of the actual distribution of the volatile molecules in the run samples is crucial to derive any scientific conclusion. In this work, we addressed this problem using FTIR imaging. Our experiments were carried out in tandem on natural cordierite and synthetic CO2-free beryl, a mineral which is isostructural with cordierite. All samples were treated in CO2-saturated atmosphere at different pressure, temperature and time conditions using a non end-load piston-cylinder apparatus at INGV. The run products were oriented using a spindle stage, cut and doubly polished, and analyzed using polarized micro-FTIR spectroscopy at INFN-LNF in order to study the distribution across the sample and quantify the CO2 content. Preliminary data show that both pressure and time play a major role on the diffusion of gaseous CO2 in both cordierite and beryl, whereas the effect of temperature is less
Hybrid approaches for multiple-species stochastic reaction–diffusion models
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen
2015-10-15
Reaction–diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction–diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model. - Highlights: • A novel hybrid stochastic/deterministic reaction–diffusion simulation method is given. • Can massively speed up stochastic simulations while preserving stochastic effects. • Can handle multiple reacting species. • Can handle moving boundaries.
NASA Astrophysics Data System (ADS)
Martelloni, Gianluca; Bagnoli, Franco
2016-04-01
In the past three decades, fractional and fractal calculus (that is, calculus of derivatives and integral of any arbitrary real or complex order) appeared to be an important tool for its applications in many fields of science and engineering. This theory allows to face, analytically and/or numerically, fractional differential equations and fractional partial differential equations. In particular, one of the several applications deals with anomalous diffusion processes. The latter phenomena can be clearly described from the statistical viewpoint. Indeed, in various complex systems, the diffusion processes usually no longer follow Gaussian statistics, and thus Fick's second law fails to describe the related transport behavior. In particular, one observes deviations from the linear time dependence of the mean squared displacement ⟨x2(t)⟩ ∝ t, (1) which is characteristic of Brownian motion, i.e., a direct consequence of the central limit theorem and the Markovian nature of the underlying stochastic process [1-17]. Instead, anomalous diffusion is found in a wide diversity of systems and its feature is the non-linear growth of the mean squared displacement over time. Especially the power-law pattern, with exponent γ different from 1 ⟨ ⟩ x2(t) ∝ tγ, (2) characterizes many systems [18, 19], but a variety of other rules, such as a logarithmic time dependence, exist [20]. The anomalous diffusion, as expressed in Eq. (2) is connected with the breakdown of the central limit theorem, caused by either broad distributions or long-range correlations, e.g., the extreme statistics and the power law distributions, typical of the self-organized criticality [42, 43]. Instead, anomalous diffusion rests on the validity of the Levy-Gnedenko generalized central limit theorem [21-23]. Particularly, broad spatial jumps or waiting time distributions lead to non-Gaussian distribution and non-Markovian time evolution of the system. Anomalous diffusion has been known since
Competing computational approaches to reaction-diffusion equations in clusters of cells
NASA Astrophysics Data System (ADS)
Stella, Sabrina; Chignola, Roberto; Milotti, Edoardo
2014-03-01
We have developed a numerical model that simulates the growth of small avascular solid tumors. At its core lies a set of partial differential equations that describe diffusion processes as well as transport and reaction mechanisms of a selected number of nutrients. Although the model relies on a restricted subset of molecular pathways, it compares well with experiments, and its emergent properties have recently led us to uncover a metabolic scaling law that stresses the common mechanisms that drive tumor growth. Now we plan to expand the biochemical model at the basis of the simulator to extend its reach. However, the introduction of additional molecular pathways requires an extensive revision of the reaction-diffusion part of the C++ code to make it more modular and to boost performance. To this end, we developed a novel computational abstract model where the individual molecular species represent the basic computational building blocks. Using a simple two-dimensional toy model to benchmark the new code, we find that the new implementation produces a more modular code without affecting performance. Preliminary results also show that a factor 2 speedup can be achieved with OpenMP multithreading, and other very preliminary results indicate that at least an order-of-magnitude speedup can be obtained using an NVidia Fermi GPU with CUDA code.
Thin graphite films formation by carbon precipitation in metals: diffusion approach
NASA Astrophysics Data System (ADS)
Shvets, Petr V.; Obraztsov, Alexander N.
2016-03-01
Thin graphite films attract significant interest due to their unique physical properties and potential applications. Chemical vapor deposition in the presence of metal catalysts is one of the most promising and widely used techniques to produce these films. There are many experimental works devoted to the material synthesis; however, the results are usually obtained by the trial-and-error method without a proper understanding of the processes behind the experiment. We theoretically analyze the carbon diffusion processes inside a metal substrate during the deposition. The theory allows interconnection of the deposition parameters with the thickness of produced graphite films. Numerically solving the diffusion equations for the real systems, we obtained a good correlation between simulations and experimental data. Based on our simulations, we made some conclusions about the formation of graphite films by the precipitation process. The numerical simulations were mostly done for the popular nickel substrates, but we also made some calculations for iron, showing that it also could be used to form thin graphite films under certain conditions.
Nonlinear Solver Approaches for the Diffusive Wave Approximation to the Shallow Water Equations
NASA Astrophysics Data System (ADS)
Collier, N.; Knepley, M.
2015-12-01
The diffusive wave approximation to the shallow water equations (DSW) is a doubly-degenerate, nonlinear, parabolic partial differential equation used to model overland flows. Despite its challenges, the DSW equation has been extensively used to model the overland flow component of various integrated surface/subsurface models. The equation's complications become increasingly problematic when ponding occurs, a feature which becomes pervasive when solving on large domains with realistic terrain. In this talk I discuss the various forms and regularizations of the DSW equation and highlight their effect on the solvability of the nonlinear system. In addition to this analysis, I present results of a numerical study which tests the applicability of a class of composable nonlinear algebraic solvers recently added to the Portable, Extensible, Toolkit for Scientific Computation (PETSc).
Multigrid approaches to non-linear diffusion problems on unstructured meshes
NASA Technical Reports Server (NTRS)
Mavriplis, Dimitri J.; Bushnell, Dennis M. (Technical Monitor)
2001-01-01
The efficiency of three multigrid methods for solving highly non-linear diffusion problems on two-dimensional unstructured meshes is examined. The three multigrid methods differ mainly in the manner in which the nonlinearities of the governing equations are handled. These comprise a non-linear full approximation storage (FAS) multigrid method which is used to solve the non-linear equations directly, a linear multigrid method which is used to solve the linear system arising from a Newton linearization of the non-linear system, and a hybrid scheme which is based on a non-linear FAS multigrid scheme, but employs a linear solver on each level as a smoother. Results indicate that all methods are equally effective at converging the non-linear residual in a given number of grid sweeps, but that the linear solver is more efficient in cpu time due to the lower cost of linear versus non-linear grid sweeps.
A diffusion modelling approach to understanding contextual cueing effects in children with ADHD
Weigard, Alexander; Huang-Pollock, Cynthia
2014-01-01
Background Strong theoretical models suggest implicit learning deficits may exist among children with Attention Deficit Hyperactivity Disorder (ADHD). Method We examine implicit contextual cueing (CC) effects among children with ADHD (n=72) and non-ADHD Controls (n=36). Results Using Ratcliff’s drift diffusion model, we found that among Controls, the CC effect is due to improvements in attentional guidance and to reductions in response threshold. Children with ADHD did not show a CC effect; although they were able to use implicitly acquired information to deploy attentional focus, they had more difficulty adjusting their response thresholds. Conclusions Improvements in attentional guidance and reductions in response threshold together underlie the CC effect. Results are consistent with neurocognitive models of ADHD that posit sub-cortical dysfunction but intact spatial attention, and encourage the use of alternative data analytic methods when dealing with reaction time data. PMID:24798140
A diffusion-based approach to obtaining the borders of urban areas
NASA Astrophysics Data System (ADS)
Henrique Comin, Cesar; Nascimento Silva, Filipi; da Fontoura Costa, Luciano
2016-05-01
The access to an ever increasing amount of information in the modern world gave rise to the development of many quantitative indicators about urban regions in the globe. Therefore, there is a growing need for a precise definition of how to delimit urban regions, so as to allow proper respective characterization and modeling. Here we present a straightforward methodology to automatically detect urban region borders around a single seed point. The method is based on a diffusion process having street crossings and terminations as source points. We exemplify the potential of the methodology by characterizing the geometry and topology of 21 urban regions obtained from 8 distinct countries. The geometry is studied by employing the lacunarity measurement, which is associated to the regularity of holes contained in a pattern. The topology is analyzed by associating the betweenness centrality of the streets with their respective class, such as motorway or residential, obtained from a database.
NASA Astrophysics Data System (ADS)
Kemner, K. M.; Boyanov, M.; Flynn, T. M.; O'Loughlin, E. J.; Antonopoulos, D. A.; Kelly, S.; Skinner, K.; Mishra, B.; Brooks, S. C.; Watson, D. B.; Wu, W. M.
2015-12-01
FeIII- and SO42--reducing microorganisms and the mineral phases they produce have profound implications for many processes in aquatic and terrestrial systems. In addition, many of these microbially-catalysed geochemical transformations are highly dependent upon introduction of reactants via advective and diffusive hydrological transport. We have characterized microbial communities from a set of static microcosms to test the effect of ethanol diffusion and sulfate concentration on UVI-contaminated sediment. The spatial distribution, valence states, and speciation of both U and Fe were monitored in situ throughout the experiment by synchrotron x-ray absorption spectroscopy, in parallel with solution measurements of pH and the concentrations of sulfate, ethanol, and organic acids. After reaction initiation, a ~1-cm thick layer of sediment near the sediment-water (S-W) interface became visibly dark. Fe XANES spectra of the layer were consistent with the formation of FeS. Over the 4 year duration of the experiment, U LIII-edge XANES indicated reduction of U, first in the dark layer and then throughout the sediment. Next, the microcosms were disassembled and samples were taken from the overlying water and different sediment regions. We extracted DNA and characterized the microbial community by sequencing 16S rRNA gene amplicons with the Illumina MiSeq platform and found that the community evolved from its originally homogeneous composition, becoming significantly spatially heterogeneous. We have also developed an x-ray accessible column to probe elemental transformations as they occur along the flow path in a porous medium with the purpose of refining reactive transport models (RTMs) that describe coupled physical and biogeochemical processes in environmental systems. The elemental distribution dynamics and the RTMs of the redox driven processes within them will be presented.
Hybrid approaches for multiple-species stochastic reaction–diffusion models
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen
2015-01-01
Reaction–diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction–diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model. PMID:26478601
Hybrid approaches for multiple-species stochastic reaction-diffusion models
NASA Astrophysics Data System (ADS)
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen
2015-10-01
Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.
Calderon, Christopher P
2016-05-01
Single particle tracking (SPT) can aid in understanding a variety of complex spatiotemporal processes. However, quantifying diffusivity and confinement forces from individual live cell trajectories is complicated by inter- and intratrajectory kinetic heterogeneity, thermal fluctuations, and (experimentally resolvable) statistical temporal dependence inherent to the underlying molecule's time correlated confined dynamics experienced in the cell. The problem is further complicated by experimental artifacts such as localization uncertainty and motion blur. The latter is caused by the tagged molecule emitting photons at different spatial positions during the exposure time of a single frame. The aforementioned experimental artifacts induce spurious time correlations in measured SPT time series that obscure the information of interest (e.g., confinement forces and diffusivity). We develop a maximum likelihood estimation (MLE) technique that decouples the above noise sources and systematically treats temporal correlation via time series methods. This ultimately permits a reliable algorithm for extracting diffusivity and effective forces in confined or unconfined environments. We illustrate how our approach avoids complications inherent to mean square displacement or autocorrelation techniques. Our algorithm modifies the established Kalman filter (which does not handle motion blur artifacts) to provide a likelihood based time series estimation procedure. The result extends A. J. Berglund's motion blur model [Phys. Rev. E 82, 011917 (2010)PLEEE81539-375510.1103/PhysRevE.82.011917] to handle confined dynamics. The approach can also systematically utilize (possibly time dependent) localization uncertainty estimates afforded by image analysis if available. This technique, which explicitly treats confinement and motion blur within a time domain MLE framework, uses an exact likelihood (time domain methods facilitate analyzing nonstationary signals). Our estimator is demonstrated
NASA Astrophysics Data System (ADS)
Calderon, Christopher P.
2016-05-01
Single particle tracking (SPT) can aid in understanding a variety of complex spatiotemporal processes. However, quantifying diffusivity and confinement forces from individual live cell trajectories is complicated by inter- and intratrajectory kinetic heterogeneity, thermal fluctuations, and (experimentally resolvable) statistical temporal dependence inherent to the underlying molecule's time correlated confined dynamics experienced in the cell. The problem is further complicated by experimental artifacts such as localization uncertainty and motion blur. The latter is caused by the tagged molecule emitting photons at different spatial positions during the exposure time of a single frame. The aforementioned experimental artifacts induce spurious time correlations in measured SPT time series that obscure the information of interest (e.g., confinement forces and diffusivity). We develop a maximum likelihood estimation (MLE) technique that decouples the above noise sources and systematically treats temporal correlation via time series methods. This ultimately permits a reliable algorithm for extracting diffusivity and effective forces in confined or unconfined environments. We illustrate how our approach avoids complications inherent to mean square displacement or autocorrelation techniques. Our algorithm modifies the established Kalman filter (which does not handle motion blur artifacts) to provide a likelihood based time series estimation procedure. The result extends A. J. Berglund's motion blur model [Phys. Rev. E 82, 011917 (2010), 10.1103/PhysRevE.82.011917] to handle confined dynamics. The approach can also systematically utilize (possibly time dependent) localization uncertainty estimates afforded by image analysis if available. This technique, which explicitly treats confinement and motion blur within a time domain MLE framework, uses an exact likelihood (time domain methods facilitate analyzing nonstationary signals). Our estimator is demonstrated to be
Basafa, Ehsan; Armand, Mehran
2014-01-01
A potential effective treatment for prevention of osteoporotic hip fractures is augmentation of the mechanical properties of the femur by injecting it with agents such as (PMMA) bone cement – femoroplasty. The operation, however, is only in research stage and can benefit substantially from computer planning and optimization. We report the results of computational planning and optimization of the procedure for biomechanical evaluation. An evolutionary optimization method was used to optimally place the cement in finite element (FE) models of seven osteoporotic bone specimens. The optimization, with some inter-specimen variations, suggested that areas close to the cortex in the superior and inferior of the neck and supero-lateral aspect of the greater trochanter will benefit from augmentation. We then used a particle-based model for bone cement diffusion simulation to match the optimized pattern, taking into account the limitations of the actual surgery, including limited volume of injection to prevent thermal necrosis. Simulations showed that the yield load can be significantly increased by more than 30%, using only 9ml of bone cement. This increase is comparable to previous literature reports where gross filling of the bone was employed instead, using more than 40ml of cement. These findings, along with the differences in the optimized plans between specimens, emphasize the need for subject-specific models for effective planning of femoral augmentation. PMID:24856887
NASA Astrophysics Data System (ADS)
Huang, Wenzhang
2016-02-01
In this paper we further extend a recently developed method to investigate the existence of traveling waves solutions and their minimum wave speed for non-monotone reaction-diffusion systems. Our approach consists of two steps. First we develop a geometrical shooting argument, with the aid of the theorem of homotopy invariance on the fundamental group, to obtain the positive semi-traveling wave solutions for a large class of reaction-diffusion systems, including the models of predator-prey interaction (for both predator-independent/dependent functional responses), the models of combustion, Belousov-Zhabotinskii reaction, SI-type of disease transmission, and the model of biological flow reactor in chemostat. Next, we apply the results obtained from the first step to some models, such as the Beddinton-DeAngelis model and the model of biolocal flow reactor, to show the convergence of these semi-traveling wave solutions to an interior equilibrium point by the construction of a Lyapunov-type function, or the convergence of semi-traveling waves to another boundary equilibrium point by the further analysis of the asymptotical behavior of semi-traveling wave solutions.
NASA Astrophysics Data System (ADS)
Gussakovsky, Eugene
2009-02-01
Diffuse reflectance was applied to the biomedical studies (muscles, cardiac tissues etc.) in a form of either a direct pseudo-optical spectrum or its second derivative. The first derivative adopts advantages of both direct spectrum (high signal-to-noise ratio) and its second derivative (simplifying the consideration of light scattering contribution, S). In contrast to spectrophotometry of solutions, diffuse reflectance application to the analysis of turbid medium chromophores leads to non-trivial problems of contribution of light scattering, the choice of reference, and light pathlength. Under certain conditions, the first approximation of the Taylor series of S results in the known linear dependence of S on wavelength in the 650-1050 nm wavelength range. Then the light scattering contribution to the first derivative becomes a wavelength-independent offset. In contrast to the second derivative, the information on light scattering inside the tissue is not lost. Effect of reference on the measured spectra becomes negligible. Application of the first derivative allowed (i) determination of NIR light pathlength in muscle tissue, and (ii) quantification of hemoglobin + myoglobin absolute concentration (in mM) in cardiac tissue during open-heart surgery. The first derivative approach may in general be applied to any chromophores in turbid (biological) media.
Taylor, P R; Baker, R E; Simpson, M J; Yates, C A
2016-07-01
Numerous processes across both the physical and biological sciences are driven by diffusion. Partial differential equations are a popular tool for modelling such phenomena deterministically, but it is often necessary to use stochastic models to accurately capture the behaviour of a system, especially when the number of diffusing particles is low. The stochastic models we consider in this paper are 'compartment-based': the domain is discretized into compartments, and particles can jump between these compartments. Volume-excluding effects (crowding) can be incorporated by blocking movement with some probability. Recent work has established the connection between fine- and coarse-grained models incorporating volume exclusion, but only for uniform lattices. In this paper, we consider non-uniform, hybrid lattices that incorporate both fine- and coarse-grained regions, and present two different approaches to describe the interface of the regions. We test both techniques in a range of scenarios to establish their accuracy, benchmarking against fine-grained models, and show that the hybrid models developed in this paper can be significantly faster to simulate than the fine-grained models in certain situations and are at least as fast otherwise. PMID:27383421
NASA Astrophysics Data System (ADS)
Lavoie, Martin; Phillips, C. L.; Risk, David
2015-01-01
paper examines the sources of uncertainty for the Forced Diffusion (FD) chamber soil respiration (Rs) measurement technique and demonstrates a protocol for uncertainty quantification that could be appropriate with any soil flux technique. Here we sought to quantify and compare the three primary sources of uncertainty in Rs: (1) instrumentation error; (2) scaling error, which stems from the spatial variability of Rs; and (3) random error, which arises from stochastic or unpredictable variation in environmental drivers and was quantified from repeated observations under a narrow temperature, moisture, and time range. In laboratory studies, we found that FD instrumentation error remained constant as Rs increased. In field studies from five North American ecosystems, we found that as Rs increased from winter to peak growing season, random error increased linearly with average flux by about 40% of average Rs. Random error not only scales with soil flux but scales in a consistent way (same slope) across ecosystems. Scaling error, measured at one site, similarly increased linearly with average Rs, by about 50% of average Rs. Our findings are consistent with previous findings for both soil fluxes and eddy covariance fluxes across other northern temperate ecosystems that showed random error scales linearly with flux magnitude with a slope of ~0.2. Although the mechanistic basis for this scaling of random error is unknown, it is suggestive of a broadly applicable rule for predicting flux random error. Also consistent with previous studies, we found the random error of FD follows a Laplace (double-exponential) rather than a normal (Gaussian) distribution.
Levy-Storms, Lené; Wallace, Steven P
2003-09-01
Minority migrant populations, such as older Samoan women, are likely to underuse preventive health services, including mammography screening. The purpose of this paper is to explore how informal (lay peers from churches) and formal (health care providers) health communication networks influence mammography screening use among older Samoan women. To do so, we apply diffusion of innovation theory and network analysis to understand how interpersonal networks may affect mammography use in this urban-dwelling, migrant population. The data come from a survey of 260 Samoan women, aged 50 years or older, who attended 39 randomly sampled Samoan churches in Los Angeles County (USA) between 1996 and 1997. Retrospective data, based over a 20-year period from this sample's year of first use of mammography screening, suggest that interpersonal networks may have accounted for the dramatic increase in the rate of adoption within the past 5 years of the survey. Using this information, we categorized women into mutually exclusive stages of mammography use and regressed these stages of mammography use on formal (had a provider referral) and informal (level of connectedness with peers in churches) health communication networks. The results indicated that being well-connected within women's informal, church-based health communication networks increased the likelihood of being in the decision (planned to have) and implementation and confirmation (had a recent mammogram) stages, but having a provider referral for a mammogram (formal networks) only increased the likelihood of being in the latter stages compared to women in the knowledge and persuasion stages. Formal and informal health communication networks influence recent use of mammography screening, but informal networks, in and of themselves, are also influential on future intention to use mammography screening. PMID:12878100
NASA Astrophysics Data System (ADS)
Fabre, Antoine; Hristov, Jordan
2016-04-01
Closed form approximate solutions to nonlinear transient heat conduction with linearly temperature-dependent thermal diffusivity have been developed by the integral-balance integral method under transient conditions. The solutions uses improved direct approaches of the integral method and avoid the commonly used linearization by the Kirchhoff transformation. The main steps in the new solutions are improvements in the integration technique of the double-integration technique and the optimization of the exponent of the approximate parabolic profile with unspecified exponent. Solutions to Dirichlet and Neumann boundary condition problems have been developed as examples by the classical Heat-balance integral method (HBIM) and the Double-integration method (DIM). Additional examples with HBIM and DIM solutions to cases when the Kirchhoff transform is initially applied have been developed.
NASA Astrophysics Data System (ADS)
Senegačnik, Jure; Tavčar, Gregor; Katrašnik, Tomaž
2015-03-01
The paper presents a computationally efficient method for solving the time dependent diffusion equation in a granule of the Li-ion battery's granular solid electrode. The method, called Discrete Temporal Convolution method (DTC), is based on a discrete temporal convolution of the analytical solution of the step function boundary value problem. This approach enables modelling concentration distribution in the granular particles for arbitrary time dependent exchange fluxes that do not need to be known a priori. It is demonstrated in the paper that the proposed method features faster computational times than finite volume/difference methods and Padé approximation at the same accuracy of the results. It is also demonstrated that all three addressed methods feature higher accuracy compared to the quasi-steady polynomial approaches when applied to simulate the current densities variations typical for mobile/automotive applications. The proposed approach can thus be considered as one of the key innovative methods enabling real-time capability of the multi particle electrochemical battery models featuring spatial and temporal resolved particle concentration profiles.
White, Tonya; Schmidt, Marcus; Karatekin, Canan
2009-11-30
There is considerable evidence implicating white matter abnormalities in the pathophysiology of schizophrenia. Many of the recent studies examining white matter have utilized diffusion tensor imaging (DTI) using either region of interest (ROI) or voxel-based approaches. Both voxel-based and ROI approaches are based on the assumption that the abnormalities in white matter overlap spatially. However, this is an assumption that has not been tested, and it is possible that aberrations in white matter occur in non-overlapping regions. In order to test for the presence of non-overlapping regions of aberrant white matter, we developed a novel image processing technique that evaluates for white matter 'potholes,' referring to within-subject clusters of white matter voxels that show a significant reduction in fractional anisotropy. We applied this algorithm to a group of children and adolescents with schizophrenia compared to controls and found an increased number of 'potholes' in the patient group. These results suggest that voxel-based and ROI approaches may be missing some white matter differences that do not overlap spatially. This algorithm may be also be well suited to detect white matter abnormalities in disorders such as substance abuse, head trauma, or specific neurological conditions affecting white matter. PMID:19853414
Peruzzo, Denis; Castellani, Umberto; Perlini, Cinzia; Bellani, Marcella; Marinelli, Veronica; Rambaldelli, Gianluca; Lasalvia, Antonio; Tosato, Sarah; De Santi, Katia; Murino, Vittorio; Ruggeri, Mirella; Brambilla, Paolo
2015-06-01
Currently, most of the classification studies of psychosis focused on chronic patients and employed single machine learning approaches. To overcome these limitations, we here compare, to our best knowledge for the first time, different classification methods of first-episode psychosis (FEP) using multi-modal imaging data exploited on several cortical and subcortical structures and white matter fiber bundles. 23 FEP patients and 23 age-, gender-, and race-matched healthy participants were included in the study. An innovative multivariate approach based on multiple kernel learning (MKL) methods was implemented on structural MRI and diffusion tensor imaging. MKL provides the best classification performances in comparison with the more widely used support vector machine, enabling the definition of a reliable automatic decisional system based on the integration of multi-modal imaging information. Our results show a discrimination accuracy greater than 90 % between healthy subjects and patients with FEP. Regions with an accuracy greater than 70 % on different imaging sources and measures were middle and superior frontal gyrus, parahippocampal gyrus, uncinate fascicles, and cingulum. This study shows that multivariate machine learning approaches integrating multi-modal and multisource imaging data can classify FEP patients with high accuracy. Interestingly, specific grey matter structures and white matter bundles reach high classification reliability when using different imaging modalities and indices, potentially outlining a prefronto-limbic network impaired in FEP with particular regard to the right hemisphere. PMID:25344845
Greene, N.M.; Arwood, J.W.; Wright, R.Q.; Parks, C.V.
1994-08-01
The 238-group LAW Library is a new multigroup neutron cross-section library based on ENDF/B-V data, with five sets of data taken from ENDF/B-VI ({sup 14}N{sub 7}, {sup 15}N{sub 7}, {sup 16}O{sub 8}, {sup 154Eu}{sub 63}, and {sup 155}Eu{sub 63}). These five nuclides are included because the new evaluations are thought to be superior to those in Version 5. The LAW Library contains data for over 300 materials and will be distributed by the Radiation Shielding Information Center, located at Oak Ridge National Laboratory. It was generated for use in neutronics calculations required in radioactive waste analyses, although it has equal utility in any study requiring multigroup neutron cross sections.
NASA-Lewis experiences with multigroup cross sections and shielding calculations
NASA Technical Reports Server (NTRS)
Lahti, G. P.
1972-01-01
The nuclear reactor shield analysis procedures employed at NASA-Lewis are described. Emphasis is placed on the generation, use, and testing of multigroup cross section data. Although coupled neutron and gamma ray cross section sets are useful in two dimensional Sn transport calculations, much insight has been gained from examination of uncoupled calculations. These have led to experimental and analytic studies of areas deemed to be of first order importance to reactor shield calculations. A discussion is given of problems encountered in using multigroup cross sections in the resolved resonance energy range. The addition to ENDF files of calculated and/or measured neutron-energy-dependent capture gamma ray spectra for shielding calculations is questioned for the resonance region. Anomalies inherent in two dimensional Sn transport calculations which may overwhelm any cross section discrepancies are illustrated.
Santoro, Maya S; Van Liew, Charles; Holloway, Breanna; McKinnon, Symone; Little, Timothy; Cronan, Terry A
2016-08-01
The present study explores patterns of parity and disparity in the effect of filial responsibility on health-related evaluations and caregiving decisions. Participants who identified as White, Black, Hispanic, or Asian/Pacific Islander read a vignette about an older man needing medical care. They were asked to imagine that they were the man's son and answer questions regarding their likelihood of hiring a health care advocate (HCA) for services related to the father's care. A multigroup (ethnicity) path analysis was performed, and an intercept invariant multigroup model fits the data best. Direct and indirect effect estimation showed that filial responsibility mediated the relationship between both the perceived severity of the father's medical condition and the perceived need for medical assistance and the likelihood of hiring an HCA only for White and Hispanic participants, albeit differently. The findings demonstrate that culture and ethnicity affect health evaluations and caregiving decision making. PMID:26282571
PHISICS multi-group transport neutronic capabilities for RELAP5
Epiney, A.; Rabiti, C.; Alfonsi, A.; Wang, Y.; Cogliati, J.; Strydom, G.
2012-07-01
PHISICS is a neutronic code system currently under development at INL. Its goal is to provide state of the art simulation capability to reactor designers. This paper reports on the effort of coupling this package to the thermal hydraulic system code RELAP5. This will enable full prismatic core and system modeling and the possibility to model coupled (thermal-hydraulics and neutronics) problems with more options for 3D neutron kinetics, compared to the existing diffusion theory neutron kinetics module in RELAP5 (NESTLE). The paper describes the capabilities of the coupling and illustrates them with a set of sample problems. (authors)
NASA Astrophysics Data System (ADS)
Mohaghegh, Fazlolah; Udaykumar, H. S.
2015-11-01
The aim of this study is to find a proper method for the simulation of blood as a particulate flow. Since the blood cell density is almost the same as plasma, the high added mass effect necessitates implementation of a strongly coupled FSI method in the numerical simulation. Therefore, three different FSI approaches are compared, two Smoothed Profile Methods (SPM) with one and two projection steps as diffuse interface approaches and the Sharp Interface Method (SIM). Stable FSI computations can be achieved by using sub-iterations within each time step, i.e. by updating the fluid and structure and their boundary conditions at each time step multiple times to reach a desired tolerance as the convergence criteria. Various cases were used to benchmark the methods, including particles motion in a channel and particles sedimentation. The results show that the number of sub-iterations plays a key role in the efficiency. While use of SPM with two projection steps has the most expensive sub-iteration process, it has the best efficiency as it requires the lowest number of sub-iterations within each time step. Moreover, the method is more stable than SIM and the SPM with one projection. SIM is faster than SPM with one projection and it has better stability. PhD Candidate-Department of Mechanical Engineering.
Tseng, Y.J.; Huang, S.-C.; Chu, W.C.
2005-04-01
A least-squares error minimization approach was adopted to assess ferric ion diffusion coefficient of Fricke-agarose gels. Ferric ion diffusion process was modeled as a Gaussian-shaped degradation kernel operating on an initial concentration distribution. Diffusion coefficient was iteratively determined by minimizing the error function defined as the difference between the theoretically calculated and the experimentally measured dose distributions. A rapid MR image-based differential gel dosimetry technique that time resolves the evolution of the ferric ion diffusion process minimizes smearing of the dose distribution. Our results showed that for a Fricke-agarose gel contained 1 mM ammonium ferrous sulfate, 1% agarose, 1 mM sodium chloride, and 50 mM sulfuric acid, its ferric ion diffusion coefficient is (1.59{+-}0.28)x10{sup -2} cm{sup 2} h{sup -1} at room temperature. This value falls within the 1.00-2.00x10{sup -2} cm{sup 2} h{sup -1} range previously reported under varying gelling ingredients and concentrations. This method allows a quick, nondestructive evaluation of the ferric ion diffusion coefficient that can be used in conjunction with the in situ gel dosimetry experiment to provide a practical diffusion characterization of the dosimeter gel.
Özarslan, Evren; Westin, Carl-Fredrik; Mareci, Thomas H.
2016-01-01
The influence of Gaussian diffusion on the magnetic resonance signal is determined by the apparent diffusion coefficient (ADC) and tensor (ADT) of the diffusing fluid as well as the gradient waveform applied to sensitize the signal to diffusion. Estimations of ADC and ADT from diffusion-weighted acquisitions necessitate computations of, respectively, the b-value and b-matrix associated with the employed pulse sequence. We establish the relationship between these quantities and the gradient waveform by expressing the problem as a path integral and explicitly evaluating it. Further, we show that these important quantities can be conveniently computed for any gradient waveform using a simple algorithm that requires a few lines of code. With this representation, our technique complements the multiple correlation function (MCF) method commonly used to compute the effects of restricted diffusion, and provides a consistent and convenient framework for studies that aim to infer the microstructural features of the specimen. PMID:27182208
NASA Technical Reports Server (NTRS)
Asenov, Asen; Brown, A. R.; Slavcheva, G.; Davies, J. H.
2000-01-01
When MOSFETs are scaled to deep submicron dimensions the discreteness and randomness of the dopant charges in the channel region introduces significant fluctuations in the device characteristics. This effect, predicted 20 year ago, has been confirmed experimentally and in simulation studies. The impact of the fluctuations on the functionality, yield, and reliability of the corresponding systems shifts the paradigm of the numerical device simulation. It becomes insufficient to simulate only one device representing one macroscopical design in a continuous charge approximation. An ensemble of macroscopically identical but microscopically different devices has to be characterized by simulation of statistically significant samples. The aims of the numerical simulations shift from predicting the characteristics of a single device with continuous doping towards estimating the mean values and the standard deviations of basic design parameters such as threshold voltage, subthreshold slope, transconductance, drive current, etc. for the whole ensemble of 'atomistically' different devices in the system. It has to be pointed out that even the mean values obtained from 'atomistic' simulations are not identical to the values obtained from continuous doping simulations. In this paper we present a hierarchical approach to the 'atomistic' simulation of aggressively scaled decanano MOSFETs. A full scale 3D drift-diffusion'atomostic' simulation approach is first described and used for verification of the more economical, but also more restricted, options. To reduce the processor time and memory requirements at high drain voltage we have developed a self-consistent option based on a thin slab solution of the current continuity equation only in the channel region. This is coupled to the Poisson's equation solution in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison with the full self-consistent solution. At low drain
Geiser, Christian; Griffin, Daniel; Shiffman, Saul
2016-01-01
Sometimes, researchers are interested in whether an intervention, experimental manipulation, or other treatment causes changes in intra-individual state variability. The authors show how multigroup-multiphase latent state-trait (MG-MP-LST) models can be used to examine treatment effects with regard to both mean differences and differences in state variability. The approach is illustrated based on a randomized controlled trial in which N = 338 smokers were randomly assigned to nicotine replacement therapy (NRT) vs. placebo prior to quitting smoking. We found that post quitting, smokers in both the NRT and placebo group had significantly reduced intra-individual affect state variability with respect to the affect items calm and content relative to the pre-quitting phase. This reduction in state variability did not differ between the NRT and placebo groups, indicating that quitting smoking may lead to a stabilization of individuals' affect states regardless of whether or not individuals receive NRT. PMID:27499744
New Methodologies for Generation of Multigroup Cross Sections for Shielding Applications
NASA Astrophysics Data System (ADS)
Arzu Alpan, F.; Haghighat, Alireza
2003-06-01
Coupled neutron and gamma multigroup (broad-group) libraries used for Light Water Reactor shielding and dosimetry commonly include 47-neutron and 20-gamma groups. These libraries are derived from the 199-neutron, 42-gamma fine-group VITAMIN-B6 library. In this paper, we introduce modifications to the generation procedure of the broad-group libraries. Among these modifications, we show that the fine-group structure and collapsing technique have the largest impact. We demonstrate that a more refined fine-group library and the bi-linear adjoint weighting collapsing technique can improve the accuracy of transport calculation results.
NASA Astrophysics Data System (ADS)
Wagner, Thorsten; Kroll, Alexandra; Wiemann, Martin; Lipinski, Hans-Gerd
2016-04-01
Darkfield and confocal laser scanning microscopy both allow for a simultaneous observation of live cells and single nanoparticles. Accordingly, a characterization of nanoparticle uptake and intracellular mobility appears possible within living cells. Single particle tracking makes it possible to characterize the particle and the surrounding cell. In case of free diffusion, the mean squared displacement for each trajectory of a nanoparticle can be measured which allows computing the corresponding diffusion coefficient and, if desired, converting it into the hydrodynamic diameter using the Stokes-Einstein equation and the viscosity of the fluid. However, within the more complex system of a cell's cytoplasm unrestrained diffusion is scarce and several other types of movements may occur. Thus, confined or anomalous diffusion (e.g. diffusion in porous media), active transport, and combinations thereof were described by several authors. To distinguish between these types of particle movement we developed an appropriate classification method, and simulated three types of particle motion in a 2D plane using a Monte Carlo approach: (1) normal diffusion, using random direction and step-length, (2) subdiffusion, using confinements like a reflective boundary with defined radius or reflective objects in the closer vicinity, and (3) superdiffusion, using a directed flow added to the normal diffusion. To simulate subdiffusion we devised a new method based on tracks of different length combined with equally probable obstacle interaction. Next we estimated the fractal dimension, elongation and the ratio of long-time / short-time diffusion coefficients. These features were used to train a random forests classification algorithm. The accuracy for simulated trajectories with 180 steps was 97% (95%-CI: 0.9481-0.9884). The balanced accuracy was 94%, 99% and 98% for normal-, sub- and superdiffusion, respectively. Nanoparticle tracking analysis was used with 100 nm polystyrene particles
Koyama, Tatsuya; Iwasaki, Atsushi; Ogoshi, Yosuke; Okada, Eiji
2005-04-10
A practical and adequate approach to modeling light propagation in an adult head with a low-scattering cerebrospinal fluid (CSF) region by use of diffusion theory was investigated. The diffusion approximation does not hold in a nonscattering or low-scattering regions. The hybrid radiosity-diffusion method was adopted to model the light propagation in the head with a nonscattering region. In the hybrid method the geometry of the nonscattering region is acquired as a priori information. In reality, low-level scattering occurs in the CSF region and may reduce the error caused by the diffusion approximation. The partial optical path length and the spatial sensitivity profile calculated by the finite-element method agree well with those calculated by the Monte Carlo method in the case in which the transport scattering coefficient of the CSF layer is greater than 0.3 mm(-1). Because it is feasible to assume that the transport scattering coefficient of a CSF layer is 0.3 mm(-1), it is practical to adopt diffusion theory to the modeling of light propagation in an adult head as an alternative to the hybrid method. PMID:15835358
NASA Astrophysics Data System (ADS)
Koyama, Tatsuya; Iwasaki, Atsushi; Ogoshi, Yosuke; Okada, Eiji
2005-04-01
A practical and adequate approach to modeling light propagation in an adult head with a low-scattering cerebrospinal fluid (CSF) region by use of diffusion theory was investigated. The diffusion approximation does not hold in a nonscattering or low-scattering regions. The hybrid radiosity-diffusion method was adopted to model the light propagation in the head with a nonscattering region. In the hybrid method the geometry of the nonscattering region is acquired as a priori information. In reality, low-level scattering occurs in the CSF region and may reduce the error caused by the diffusion approximation. The partial optical path length and the spatial sensitivity profile calculated by the finite-element method agree well with those calculated by the Monte Carlo method in the case in which the transport scattering coefficient of the CSF layer is greater than 0.3 mm^-1. Because it is feasible to assume that the transport scattering coefficient of a CSF layer is 0.3 mm^-1, it is practical to adopt diffusion theory to the modeling of light propagation in an adult head as an alternative to the hybrid method.
The Group-Level Consequences of Sexual Conflict in Multigroup Populations
Eldakar, Omar Tonsi; Gallup, Andrew C.
2011-01-01
In typical sexual conflict scenarios, males best equipped to exploit females are favored locally over more prudent males, despite reducing female fitness. However, local advantage is not the only relevant form of selection. In multigroup populations, groups with less sexual conflict will contribute more offspring to the next generation than higher conflict groups, countering the local advantage of harmful males. Here, we varied male aggression within-and between-groups in a laboratory population of water striders and measured resulting differences in local population growth over a period of three weeks. The overall pool fitness (i.e., adults produced) of less aggressive pools exceeded that of high aggression pools by a factor of three, with the high aggression pools essentially experiencing no population growth over the course of the study. When comparing the fitness of individuals across groups, aggression appeared to be under stabilizing selection in the multigroup population. The use of contextual analysis revealed that overall stabilizing selection was a product of selection favoring aggression within groups, but selected against it at the group-level. Therefore, this report provides further evidence to show that what evolves in the total population is not merely an extension of within-group dynamics. PMID:22039491
A stable 1D multigroup high-order low-order method
Yee, Ben Chung; Wollaber, Allan Benton; Haut, Terry Scot; Park, HyeongKae
2016-07-13
The high-order low-order (HOLO) method is a recently developed moment-based acceleration scheme for solving time-dependent thermal radiative transfer problems, and has been shown to exhibit orders of magnitude speedups over traditional time-stepping schemes. However, a linear stability analysis by Haut et al. (2015 Haut, T. S., Lowrie, R. B., Park, H., Rauenzahn, R. M., Wollaber, A. B. (2015). A linear stability analysis of the multigroup High-Order Low-Order (HOLO) method. In Proceedings of the Joint International Conference on Mathematics and Computation (M&C), Supercomputing in Nuclear Applications (SNA) and the Monte Carlo (MC) Method; Nashville, TN, April 19–23, 2015. American Nuclear Society.)more » revealed that the current formulation of the multigroup HOLO method was unstable in certain parameter regions. Since then, we have replaced the intensity-weighted opacity in the first angular moment equation of the low-order (LO) system with the Rosseland opacity. Furthermore, this results in a modified HOLO method (HOLO-R) that is significantly more stable.« less
NASA Astrophysics Data System (ADS)
Haba, Z.
2009-02-01
We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.
Haba, Z
2009-02-01
We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed. PMID:19391727
ERIC Educational Resources Information Center
Reese, Le'Roy E.; Vera, Elizabeth M.; Paikoff, Roberta L.
1998-01-01
Examined the reliability of the Multigroup Ethnic Identity Scale (MEIM) (J. Phinney, 1992) in measuring feelings of ethnic affirmation and belongings, ethnic behaviors, and ethnic knowledge with 118 inner-city African American children aged 8 to 12 years. Results of reliability analyses are mixed and indicate that constructs of ethnic behavior and…
ERIC Educational Resources Information Center
Molenaar, Dylan; Dolan, Conor V.; Wicherts, Jelle M.
2009-01-01
Research into sex differences in general intelligence, g, has resulted in two opposite views. In the first view, a g-difference is nonexistent, while in the second view, g is associated with a male advantage. Past research using Multi-Group Covariance and Mean Structure Analysis (MG-CMSA) found no sex difference in g. This failure raised the…
Shin, Sangmin; Lee, Seungjae; Lee, Sangeun; Yum, Kyungtaek; Park, Heekyung
2012-01-01
This study aims to improve the design factors of air diffuser systems that have been analyzed in laboratory experiments, with consideration of the field conditions of dam reservoirs. In this study, the destratification number (D(N)), destratification radius, and efficiency are considered as design factors. The computational fluid dynamics (CFD) simulation experiment is performed in diverse field conditions in order to analyze these factors. The results illustrate the wider range of D(N) values in field conditions and the relationship of the destratification radius and efficiency to D(N). The results can lead to better performance of air diffuser systems and water quality management in dam reservoir sites. PMID:22678200
NASA Astrophysics Data System (ADS)
Nelson, Adam
Multi-group scattering moment matrices are critical to the solution of the multi-group form of the neutron transport equation, as they are responsible for describing the change in direction and energy of neutrons. These matrices, however, are difficult to correctly calculate from the measured nuclear data with both deterministic and stochastic methods. Calculating these parameters when using deterministic methods requires a set of assumptions which do not hold true in all conditions. These quantities can be calculated accurately with stochastic methods, however doing so is computationally expensive due to the poor efficiency of tallying scattering moment matrices. This work presents an improved method of obtaining multi-group scattering moment matrices from a Monte Carlo neutron transport code. This improved method of tallying the scattering moment matrices is based on recognizing that all of the outgoing particle information is known a priori and can be taken advantage of to increase the tallying efficiency (therefore reducing the uncertainty) of the stochastically integrated tallies. In this scheme, the complete outgoing probability distribution is tallied, supplying every one of the scattering moment matrices elements with its share of data. In addition to reducing the uncertainty, this method allows for the use of a track-length estimation process potentially offering even further improvement to the tallying efficiency. Unfortunately, to produce the needed distributions, the probability functions themselves must undergo an integration over the outgoing energy and scattering angle dimensions. This integration is too costly to perform during the Monte Carlo simulation itself and therefore must be performed in advance by way of a pre-processing code. The new method increases the information obtained from tally events and therefore has a significantly higher efficiency than the currently used techniques. The improved method has been implemented in a code system
ERIC Educational Resources Information Center
Artun, Huseyin; Costu, Bayram
2013-01-01
The aim of this study was to explore a group of prospective primary teachers' conceptual understanding of diffusion and osmosis as they implemented a 5E constructivist model and related materials in a science methods course. Fifty prospective primary teachers' ideas were elicited using a pre- and post-test and delayed post-test survey consisting…
NASA Astrophysics Data System (ADS)
Harko, T.; Mak, M. K.
2015-11-01
We consider quasi-stationary (travelling wave type) solutions to a general nonlinear reaction-convection-diffusion equation with arbitrary, autonomous coefficients. The second order nonlinear equation describing one dimensional travelling waves can be reduced to a first kind first order Abel equation. By using two integrability conditions for the Abel equation (the Chiellini lemma and the Lemke transformation), several classes of exact travelling wave solutions of the general reaction-convection-diffusion equation are obtained, corresponding to different functional relations imposed between the diffusion, convection and reaction functions. In particular, we obtain travelling wave solutions for two non-linear second order partial differential equations, representing generalizations of the standard diffusion equation and of the classical Fisher-Kolmogorov equation, to which they reduce for some limiting values of the model parameters. The models correspond to some specific, power law type choices of the reaction and convection functions, respectively. The travelling wave solutions of these two classes of differential equation are investigated in detail by using both numerical and semi-analytical methods.
Mwangi, Benson; Hasan, Khader M; Soares, Jair C
2013-07-15
Diffusion tensor imaging has the potential to be used as a neuroimaging marker of natural ageing and assist in elucidating trajectories of cerebral maturation and ageing. In this study, we applied a multivariate technique relevance vector regression (RVR) to predict individual subject's age using whole brain fractional anisotropy (FA), mean diffusivity (MD), axial diffusivity (AD) and radial diffusivity (RD) from a cohort of 188 subjects aged 4-85 years. High prediction accuracy as derived from Pearson correlation coefficient of actual versus predicted age (FA - r=0.870 p<0.0001; MD - r=0.896 p<0.0001; AD - r=0.895 p<0.0001; RD - r=0.899 p<0.0001) was achieved. Cerebral white-matter regions that contributed to these predictions include; corpus callosum, cingulum bundles, posterior longitudinal fasciculus and the cerebral peduncle. A post-hoc analysis of these regions showed that FA follows a nonlinear rational-quadratic trajectory across the lifespan peaking at approximately 21.8 years. The MD, RD and AD volumes were particularly useful for making predictions using grey matter cerebral regions. These results suggest that diffusion tensor imaging measurements can reliably predict individual subject's age and demonstrate that FA cerebral maturation and ageing patterns follow a non-linear trajectory with a noteworthy peaking age. These data will contribute to the understanding of neurobiology of cerebral maturation and ageing. Most notably, from a neuropsychiatric perspective our results may allow differentiation of cerebral changes that may occur due to natural maturation and ageing, and those due to developmental or neuropsychiatric disorders. PMID:23501046
Greene, N.M.; Ford, W.E. III; Petrie, L.M.; Arwood, J.W.
1992-10-01
AMPX-77 is a modular system of computer programs that pertain to nuclear analyses, with a primary emphasis on tasks associated with the production and use of multigroup cross sections. AH basic cross-section data are to be input in the formats used by the Evaluated Nuclear Data Files (ENDF/B), and output can be obtained in a variety of formats, including its own internal and very general formats, along with a variety of other useful formats used by major transport, diffusion theory, and Monte Carlo codes. Processing is provided for both neutron and gamma-my data. The present release contains codes all written in the FORTRAN-77 dialect of FORTRAN and wig process ENDF/B-V and earlier evaluations, though major modules are being upgraded in order to process ENDF/B-VI and will be released when a complete collection of usable routines is available.
Recent validation experience with multigroup cross-section libraries and scale
Bowman, S.M.; Wright, R.Q.; DeHart, M.D.; Parks, C.V.; Petrie, L.M.
1995-12-01
This paper will discuss the results obtained and lessons learned from an extensive validation of new ENDF/B-V and ENDF/B-VI multigroup cross-section libraries using analyses of critical experiments. The KENO V. a Monte Carlo code in version 4.3 of the SCALE computer code system was used to perform the critical benchmark calculations via the automated SCALE sequence CSAS25. The cross-section data were processed by the SCALE automated problem-dependent resonance-processing procedure included in this sequence. Prior to calling KENO V.a, CSAS25 accesses BONAMI to perform resonance self-shielding for nuclides with Bondarenko factors and NITAWL-II to process nuclides with resonance parameter data via the Nordheim Integral Treatment.
Global dynamics of a novel multi-group model for computer worms
NASA Astrophysics Data System (ADS)
Gong, Yong-Wang; Song, Yu-Rong; Jiang, Guo-Ping
2013-04-01
In this paper, we study worm dynamics in computer networks composed of many autonomous systems. A novel multi-group SIQR (susceptible-infected-quarantined-removed) model is proposed for computer worms by explicitly considering anti-virus measures and the network infrastructure. Then, the basic reproduction number of worm R0 is derived and the global dynamics of the model are established. It is shown that if R0 is less than or equal to 1, the disease-free equilibrium is globally asymptotically stable and the worm dies out eventually, whereas, if R0 is greater than 1, one unique endemic equilibrium exists and it is globally asymptotically stable, thus the worm persists in the network. Finally, numerical simulations are given to illustrate the theoretical results.
Happ, Martin; Harrar, Solomon W; Bathke, Arne C
2016-07-01
We propose tests for main and simple treatment effects, time effects, as well as treatment by time interactions in possibly high-dimensional multigroup repeated measures designs. The proposed inference procedures extend the work by Brunner et al. (2012) from two to several treatment groups and remain valid for unbalanced data and under unequal covariance matrices. In addition to showing consistency when sample size and dimension tend to infinity at the same rate, we provide finite sample approximations and evaluate their performance in a simulation study, demonstrating better maintenance of the nominal α-level than the popular Box-Greenhouse-Geisser and Huynh-Feldt methods, and a gain in power for informatively increasing dimension. Application is illustrated using electroencephalography (EEG) data from a neurological study involving patients with Alzheimer's disease and other cognitive impairments. PMID:26700536
Release of the mtmg01ex NDI Neutron Multigroup Data Library
Gray, Mark Girard
2013-02-04
We have released the multi-temperature neutron multigroup transport library mtmg01ex, consisting of 181 isotope tables from mtmg01 and 18 element tables calculated from the isotope tables, all at 15 temperatures. These data, based primarily on the evaluations that produced the lanl2006 library, include gamma production and americium branching data. They were subjected to our standard production library testing. Because there are still known problems with and unanswered questions about multi-temperature data, including data size and load time issues, we do not recommend this data for general use; however, its quality is good enough for production release, and we request user help in addressing the remaining problems.
Local Multi-Grouped Binary Descriptor With Ring-Based Pooling Configuration and Optimization.
Gao, Yongqiang; Huang, Weilin; Qiao, Yu
2015-12-01
Local binary descriptors are attracting increasingly attention due to their great advantages in computational speed, which are able to achieve real-time performance in numerous image/vision applications. Various methods have been proposed to learn data-dependent binary descriptors. However, most existing binary descriptors aim overly at computational simplicity at the expense of significant information loss which causes ambiguity in similarity measure using Hamming distance. In this paper, by considering multiple features might share complementary information, we present a novel local binary descriptor, referred as ring-based multi-grouped descriptor (RMGD), to successfully bridge the performance gap between current binary and floated-point descriptors. Our contributions are twofold. First, we introduce a new pooling configuration based on spatial ring-region sampling, allowing for involving binary tests on the full set of pairwise regions with different shapes, scales, and distances. This leads to a more meaningful description than the existing methods which normally apply a limited set of pooling configurations. Then, an extended Adaboost is proposed for an efficient bit selection by emphasizing high variance and low correlation, achieving a highly compact representation. Second, the RMGD is computed from multiple image properties where binary strings are extracted. We cast multi-grouped features integration as rankSVM or sparse support vector machine learning problem, so that different features can compensate strongly for each other, which is the key to discriminativeness and robustness. The performance of the RMGD was evaluated on a number of publicly available benchmarks, where the RMGD outperforms the state-of-the-art binary descriptors significantly. PMID:26292340
NASA Astrophysics Data System (ADS)
Parker, J.; Kim, U.; Widdowson, M.; Chappel, F.
2008-12-01
Explicit modeling of contaminant dissolution from heterogeneously distributed NAPL sources, microbial growth and reaction kinetics, and diffusion into or out of low permeability layers pose significant difficulties. These include the need to estimate a large number of parameters, which may subject to great uncertainty due to inverse problem ill-posedness given limited data, and to a lesser extent, the large computational effort that may be required to solve a rigorously formulated problem. An upscaled model for NAPL dissolution kinetics is utilized in the present study based on previous work, with extentions to consider concurrent effects of residual DNAPL and pools or lenses and to consider multi-component NAPL mixtures. An approach is presented to model microbially-mediated redox reactions subject to the assumption that microbial growth and reaction rates are primarily limited by transport processes rather than by microbial kinetics at time and space scales relevant for many remediation problems. The simplified model requires only stoichiometric coefficients for electron donor and electron acceptor half-reactions and the fraction of electron donor needed for cell synthesis. Contaminant diffusion into low permeability layers and subsequent back-diffusion is approximated as a first-order mass transfer problem with an effective mass transfer coefficient computed from aquifer-aquitard properties by equating second moments of diffusion and mass transfer solutions. Accuracy of the simplified model formulation is evaluated for a hypothetical problem involving a DNAPL source consisting of a mixture of TCE and Stoddard solvent with background dissolved organic carbon, oxygen and sulfate in groundwater for 40 years followed by injection of vegetable oil as a supplemental electron donor to enhance reductive dechlorination. The simplified solution is compared to numerical results that consider multi-species Monod kinetics with explicit treatment of back-diffusion.
Colmenares, Pedro J; López, Floralba; Olivares-Rivas, Wilmer
2009-12-01
We carried out a molecular-dynamics (MD) study of the self-diffusion tensor of a Lennard-Jones-type fluid, confined in a slit pore with attractive walls. We developed Bayesian equations, which modify the virtual layer sampling method proposed by Liu, Harder, and Berne (LHB) [P. Liu, E. Harder, and B. J. Berne, J. Phys. Chem. B 108, 6595 (2004)]. Additionally, we obtained an analytical solution for the corresponding nonhomogeneous Langevin equation. The expressions found for the mean-squared displacement in the layers contain naturally a modification due to the mean force in the transverse component in terms of the anisotropic diffusion constants and mean exit time. Instead of running a time consuming dual MD-Langevin simulation dynamics, as proposed by LHB, our expression was used to fit the MD data in the entire survival time interval not only for the parallel but also for the perpendicular direction. The only fitting parameter was the diffusion constant in each layer. PMID:20365134
NASA Astrophysics Data System (ADS)
Colmenares, Pedro J.; López, Floralba; Olivares-Rivas, Wilmer
2009-12-01
We carried out a molecular-dynamics (MD) study of the self-diffusion tensor of a Lennard-Jones-type fluid, confined in a slit pore with attractive walls. We developed Bayesian equations, which modify the virtual layer sampling method proposed by Liu, Harder, and Berne (LHB) [P. Liu, E. Harder, and B. J. Berne, J. Phys. Chem. B 108, 6595 (2004)]. Additionally, we obtained an analytical solution for the corresponding nonhomogeneous Langevin equation. The expressions found for the mean-squared displacement in the layers contain naturally a modification due to the mean force in the transverse component in terms of the anisotropic diffusion constants and mean exit time. Instead of running a time consuming dual MD-Langevin simulation dynamics, as proposed by LHB, our expression was used to fit the MD data in the entire survival time interval not only for the parallel but also for the perpendicular direction. The only fitting parameter was the diffusion constant in each layer.
NASA Astrophysics Data System (ADS)
Lejosne, SolèNe; Boscher, Daniel; Maget, Vincent; Rolland, Guy
2012-08-01
In this paper, a new approach for the derivation of the instantaneous rate of change of the third adiabatic invariant is introduced. It is based on the tracking of the bounce-averaged motion of guiding centers with assumptions that are only kept to the necessary conditions for definition and conservation of the first two adiabatic invariants. The derivation is first given in the case of trapped equatorial particles drifting in a time varying magnetic field in the absence of electrostatic potential. It is then extended to more general cases including time varying electric potentials and non-equatorial particles. Finally, the general formulation of the third adiabatic invariant time derivative is related to the description of the radial diffusion process occurring in the radiation belts. It highlights the links that exist between previous theoretical works with the objective of a better understanding of the radial diffusion process. A theoretical validation in the specific case of equatorial particles drifting in a magnetic field model whose disturbed part is limited to the first terms of a spherical expansion is also presented.
Laksmana, Fesia Lestari; Hartman Kok, Paul Jean Antoine; Vromans, Herman; Van der Voort Maarschalk, Kees
2009-07-12
Prediction of diffusion coefficient of polymer materials is important in the pharmaceutical research and becomes the aim of this paper. This paper bases the prediction method on the estimation of the polymer fractional free volume at different environmental conditions. Focussing on glassy polymers, the free volumes of polymer films were estimated using the model of Vrentas et al. [J.S. Vrentas, J.L. Duda, H.-C. Ling, Antiplasticization and volumetric behavior in glassy polymers, Macromolecules 21 (1988) 1470-1475]. The required data are the moisture sorption and glass transition temperature data, which were measured on various hydroxypropyl methylcellulose (used as a model material) free films at different water activities. The temperature and molecular weight particularly determine the free volume of the polymer, while the sorbed water can either decrease or increase the specific free volume of the polymer. At high water activity, the amount of water sorbed in the film increases to such level that the direct free volume addition by water becomes proportional to the contribution of the polymer itself. This confirms the importance of considering the environmental effect on the diffusivity of polymer during coating material selection. The presented approach enables the prediction of the diffusivity at any given relevant material variable and therefore has the potency to be used as a formulation development tool. PMID:19409985
NASA Astrophysics Data System (ADS)
Ge, J.; Everett, M. E.; Weiss, C. J.
2012-12-01
A 2.5D finite difference (FD) frequency-domain modeling algorithm based on the theory of fractional diffusion of electromagnetic (EM) fields generated by a loop source lying above a fractured geological medium is addressed in this paper. The presence of fractures in the subsurface, usually containing highly conductive pore fluids, gives rise to spatially hierarchical flow paths of induced EM eddy currents. The diffusion of EM eddy currents in such formations is anomalous, generalizing the classical Gaussian process described by the conventional Maxwell equations. Based on the continuous time random walk (CTRW) theory, the diffusion of EM eddy currents in a rough medium is governed by the fractional Maxwell equations. Here, we model the EM response of a 2D subsurface containing fractured zones, with a 3D loop source, which results the so-called 2.5D model geometry. The governing equation in the frequency domain is converted using Fourier transform into k domain along the strike direction (along which the model conductivity doesn't vary). The resulting equation system is solved by the multifrontal massively parallel solver (MUMPS). The data obtained is then converted back to spatial domain and the time domain. We find excellent agreement between the FD and analytic solutions for a rough halfspace model. Then FD solutions are calculated for a 2D fault zone model with variable conductivity and roughness. We compare the results with responses from several classical models and explore the relationship between the roughness and the spatial density of the fracture distribution.
A joint compressed-sensing and super-resolution approach for very high-resolution diffusion imaging.
Ning, Lipeng; Setsompop, Kawin; Michailovich, Oleg; Makris, Nikos; Shenton, Martha E; Westin, Carl-Fredrik; Rathi, Yogesh
2016-01-15
Diffusion MRI (dMRI) can provide invaluable information about the structure of different tissue types in the brain. Standard dMRI acquisitions facilitate a proper analysis (e.g. tracing) of medium-to-large white matter bundles. However, smaller fiber bundles connecting very small cortical or sub-cortical regions cannot be traced accurately in images with large voxel sizes. Yet, the ability to trace such fiber bundles is critical for several applications such as deep brain stimulation and neurosurgery. In this work, we propose a novel acquisition and reconstruction scheme for obtaining high spatial resolution dMRI images using multiple low resolution (LR) images, which is effective in reducing acquisition time while improving the signal-to-noise ratio (SNR). The proposed method called compressed-sensing super resolution reconstruction (CS-SRR), uses multiple overlapping thick-slice dMRI volumes that are under-sampled in q-space to reconstruct diffusion signal with complex orientations. The proposed method combines the twin concepts of compressed sensing and super-resolution to model the diffusion signal (at a given b-value) in a basis of spherical ridgelets with total-variation (TV) regularization to account for signal correlation in neighboring voxels. A computationally efficient algorithm based on the alternating direction method of multipliers (ADMM) is introduced for solving the CS-SRR problem. The performance of the proposed method is quantitatively evaluated on several in-vivo human data sets including a true SRR scenario. Our experimental results demonstrate that the proposed method can be used for reconstructing sub-millimeter super resolution dMRI data with very good data fidelity in clinically feasible acquisition time. PMID:26505296
NASA Astrophysics Data System (ADS)
Dorman, L.; Dorman, I.; Iucci, N.; Parisi, M.; Villoresi, G.; Zukerman, I.
Our studies of the neutron and muon components data from many observatories with different cut - off rigidities during solar cycles 19-22 have made possible to investigate the hysteresis character of the relationships between the variations in solar activity and in galactic cosmic ray intensity. We use here a special model described the connection between solar activity and cosmic ray (CR) convection- diffusion global modulation with taking into account time-lag of processes in the Heliosphere relative to the active processes on the Sun (Dorman et al., 1999). We supposed different dimension of the modulation region and for each dimension w as determined the correlation coefficient between variations of expected and observed CR intensities. We found that the maximum of correlation coefficient occurred for even cycles for about two-three times in the shorter time than for odd cycles. We came to conclusion that this difference is caused by CR drift effects: during even cycle drift effect from minimum to maximum of solar activity (SA) produced the small increasing of CR global modulation additional to the caused by convection- diffusion mechanism, and after maximum of SA - about the same decreasing of CR modulation. This gives sufficient decreasing of observed time lag between CR and SA in even solar cycles. For odd solar cycles we have inverse situation: drift effect from minimum to maximum of SA produced the additional decreasing of CR global modulation caused mainly by convection-diffusion mechanism, and after maximum of SA - increasing of CR modulation. This gives sufficient increasing of observed time lag between CR and SA in odd solar cycles. Observed phenomenon caused by 3-dimensional recon-structure of the CR modulation region and the Heliosphere during the solar magnetic field reversal. We consider in details the theoretical approaches for convection-diffusion modulation and drifts modulations REFERENCES: Burger, R. A., and M. S. Potgieter, Proc. 26 ICRC, 7
NASA Astrophysics Data System (ADS)
Bleibel, Johannes; Domínguez, Alvaro; Oettel, Martin
2016-06-01
We build on an existing approximation scheme to the Smoluchowski equation in order to derive a dynamic density functional theory (DDFT) including two-body hydrodynamic interactions. A generalized diffusion equation and a wavenumber-dependent diffusion coefficient D(k) are derived by linearization in the density fluctuations. The result is applied to a colloidal monolayer at a fluid interface, having bulk-like hydrodynamic interactions and/or interacting via long-ranged capillary forces. In these cases, D(k) shows characteristic singularities as k\\to 0 . The consequences of these singularities are studied by means of analytical perturbation theory, numerical solution of DDFT and simulations for an explicit example: the capillary collapse of a finite, disk-like distribution of particles. There is in general a good agreement between DDFT and simulations if the initial density distributions for the theoretical prediction correspond to the actual initial configurations of simulations, rather than to an average over them. Otherwise, discrepancies arise that are discussed in detail.
Bleibel, Johannes; Domínguez, Alvaro; Oettel, Martin
2016-06-22
We build on an existing approximation scheme to the Smoluchowski equation in order to derive a dynamic density functional theory (DDFT) including two-body hydrodynamic interactions. A generalized diffusion equation and a wavenumber-dependent diffusion coefficient D(k) are derived by linearization in the density fluctuations. The result is applied to a colloidal monolayer at a fluid interface, having bulk-like hydrodynamic interactions and/or interacting via long-ranged capillary forces. In these cases, D(k) shows characteristic singularities as [Formula: see text]. The consequences of these singularities are studied by means of analytical perturbation theory, numerical solution of DDFT and simulations for an explicit example: the capillary collapse of a finite, disk-like distribution of particles. There is in general a good agreement between DDFT and simulations if the initial density distributions for the theoretical prediction correspond to the actual initial configurations of simulations, rather than to an average over them. Otherwise, discrepancies arise that are discussed in detail. PMID:27115236
Greiner, R; Herr, A; Brodie, J; Haynes, D
2005-01-01
This paper presents a multi-criteria based tool for assessing the relative impact of diffuse-source pollution to the Great Barrier Reef (GBR) from the river basins draining into the GBR lagoon. The assessment integrates biophysical and ecological data of water quality and pollutant concentrations with socio-economic information pertaining to non-point source pollution and (potential) pollutant impact. The tool generates scores for each river basin against four criteria, thus profiling the basins and enabling prioritization of management alternatives between and within basins. The results support policy development for pollution control through community participation, scientific data integration and expert knowledge contributed by people from across the catchment. The results specifically provided support for the Reef Water Quality Protection Plan, released in October 2003. The aim of the plan is to provide a framework for reducing discharge of sediment, nutrient and other diffuse-source loads and (potential) impact of that discharge and for prioritising management actions both between and within river basins. PMID:15757715
NASA Astrophysics Data System (ADS)
Mazaheri, Alireza; Nishikawa, Hiroaki
2016-09-01
We propose arbitrary high-order discontinuous Galerkin (DG) schemes that are designed based on a first-order hyperbolic advection-diffusion formulation of the target governing equations. We present, in details, the efficient construction of the proposed high-order schemes (called DG-H), and show that these schemes have the same number of global degrees-of-freedom as comparable conventional high-order DG schemes, produce the same or higher order of accuracy solutions and solution gradients, are exact for exact polynomial functions, and do not need a second-derivative diffusion operator. We demonstrate that the constructed high-order schemes give excellent quality solution and solution gradients on irregular triangular elements. We also construct a Weighted Essentially Non-Oscillatory (WENO) limiter for the proposed DG-H schemes and apply it to discontinuous problems. We also make some accuracy comparisons with conventional DG and interior penalty schemes. A relative qualitative cost analysis is also reported, which indicates that the high-order schemes produce orders of magnitude more accurate results than the low-order schemes for a given CPU time. Furthermore, we show that the proposed DG-H schemes are nearly as efficient as the DG and Interior-Penalty (IP) schemes as these schemes produce results that are relatively at the same error level for approximately a similar CPU time.
Energy Science and Technology Software Center (ESTSC)
1996-12-19
Version 03 The NJOY nuclear data processing system is a comprehensive computer code system for producing pointwise and multigroup cross sections and related quantities from ENDF/B evaluated nuclear data in the ENDF format, including the latest US library, ENDF/B-VI. The NJOY code works with neutrons, photons, and charged particles and produces libraries for a wide variety of particle transport and reactor analysis codes.
NASA Astrophysics Data System (ADS)
Watanabe, Yoshiki; Mowbray, Ryan W.; Rice, Katherine P.; Stoykovich, Mark P.
2014-10-01
The oxidation of colloidal metal nanocrystals to form hollow shells via the nanoscale Kirkendall effect has been investigated using a combined theoretical and experimental approach. A generalized kinetic model for the formation of hollow nanoparticles describes the phenomenon and, unlike prior models, is applicable to any material system and accounts for the effect of surface energies. Phase diagrams of the ultimate oxidized nanoparticle morphology and the time to achieve complete oxidation are calculated, and are found to depend significantly upon consideration of surface energy effects that destabilize the initial formation of small voids. For the oxidation of Cu nanocrystals to Cu2O nanoparticles, we find that the diffusion coefficients dictate the morphological outcomes: the ratio of ? to ? controls the void size, ? determines the time of oxidation and ? is largely irrelevant in the kinetics of oxidation. The kinetic model was used to fit experimental measurements of 11 nm diameter Cu nanocrystals oxidized in air from which temperature-dependent diffusivities of ? and ? for 100 ≤ T ≤ 200 °C were determined. In contrast to previous interpretations of the nanoscale Kirkendall effect in the Cu/Cu2O system, these results are obtained without any a priori assumptions about the relative magnitudes of ? and ?. The theoretical and experimental approaches presented here are broadly applicable to any nanoparticle system undergoing oxidation, and can be used to precisely control the final nanoparticle morphology for applications in catalysis or optical materials.
Sloan, D.P.
1983-05-01
Morel (1981) has developed multigroup Legendre cross sections suitable for input to standard discrete ordinates transport codes for performing charged-particle Fokker-Planck calculations in one-dimensional slab and spherical geometries. Since the Monte Carlo neutron transport code, MORSE, uses the same multigroup cross section data that discrete ordinates codes use, it was natural to consider whether Fokker-Planck calculations could be performed with MORSE. In order to extend the unique three-dimensional forward or adjoint capability of MORSE to Fokker-Planck calculations, the MORSE code was modified to correctly treat the delta-function scattering of the energy operator, and a new set of physically acceptable cross sections was derived to model the angular operator. Morel (1979) has also developed multigroup Legendre cross sections suitable for input to standard discrete ordinates codes for performing electron Boltzmann calculations. These electron cross sections may be treated in MORSE with the same methods developed to treat the Fokker-Planck cross sections. The large magnitude of the elastic scattering cross section, however, severely increases the computation or run time. It is well-known that approximate elastic cross sections are easily obtained by applying the extended transport (or delta function) correction to the Legendre coefficients of the exact cross section. An exact method for performing the extended transport cross section correction produces cross sections which are physically acceptable. Sample calculations using electron cross sections have demonstrated this new technique to be very effective in decreasing the large magnitude of the cross sections.