Multigroup diffusion preconditioners for multiplying fixed-source transport problems
NASA Astrophysics Data System (ADS)
Roberts, Jeremy A.; Forget, Benoit
2014-10-01
Several preconditioners based on multigroup diffusion are developed for application to multiplying fixed-source transport problems using the discrete ordinates method. By starting from standard, one-group, diffusion synthetic acceleration (DSA), a multigroup diffusion preconditioner is constructed that shares the same fine mesh as the transport problem. As a cheaper but effective alternative, a two-grid, coarse-mesh, multigroup diffusion preconditioner is examined, for which a variety of homogenization schemes are studied to generate the coarse mesh operator. Finally, a transport-corrected diffusion preconditioner based on application of the Newton-Shulz algorithm is developed. The results of several numerical studies indicate the coarse-mesh, diffusion preconditioners work very well. In particular, a coarse-mesh, transport-corrected, diffusion preconditioner reduced the computational time of multigroup GMRES by up to a factor of 17 and outperformed best-case Gauss-Seidel results by over an order of magnitude for all problems studied.
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)
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.
Stability analysis of nonlinear two-grid method for multigroup neutron diffusion problems
NASA Astrophysics Data System (ADS)
Anistratov, Dmitriy Y.; Cornejo, Luke R.; Jones, Jesse P.
2017-10-01
We present theoretical analysis of a nonlinear acceleration method for solving multigroup neutron diffusion problems. This method is formulated with two energy grids that are defined by (i) fine-energy groups structure and (ii) coarse grid with just a single energy group. The coarse-grid equations are derived by averaging of the multigroup diffusion equations over energy. The method uses a nonlinear prolongation operator. We perform stability analysis of iteration algorithms for inhomogeneous (fixed-source) and eigenvalue neutron diffusion problems. To apply Fourier analysis the equations of the method are linearized about solutions of infinite-medium problems. The developed analysis enables us to predict convergence properties of this two-grid method in different types of problems. Numerical results of problems in 2D Cartesian geometry are presented to confirm theoretical predictions.
Multigroup radiation hydrodynamics with flux-limited diffusion and adaptive mesh refinement
NASA Astrophysics Data System (ADS)
González, M.; Vaytet, N.; Commerçon, B.; Masson, J.
2015-06-01
Context. Radiative transfer plays a crucial role in the star formation process. Because of the high computational cost, radiation-hydrodynamics simulations performed up to now have mainly been carried out in the grey approximation. In recent years, multifrequency radiation-hydrodynamics models have started to be developed in an attempt to better account for the large variations in opacities as a function of frequency. Aims: We wish to develop an efficient multigroup algorithm for the adaptive mesh refinement code RAMSES which is suited to heavy proto-stellar collapse calculations. Methods: Because of the prohibitive timestep constraints of an explicit radiative transfer method, we constructed a time-implicit solver based on a stabilized bi-conjugate gradient algorithm, and implemented it in RAMSES under the flux-limited diffusion approximation. Results: We present a series of tests that demonstrate the high performance of our scheme in dealing with frequency-dependent radiation-hydrodynamic flows. We also present a preliminary simulation of a 3D proto-stellar collapse using 20 frequency groups. Differences between grey and multigroup results are briefly discussed, and the large amount of information this new method brings us is also illustrated. Conclusions: We have implemented a multigroup flux-limited diffusion algorithm in the RAMSES code. The method performed well against standard radiation-hydrodynamics tests, and was also shown to be ripe for exploitation in the computational star formation context.
1,2,3-D Diffusion Depletion Multi-Group
Milgram, Mike
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.
Modelling neutron transport in planetary media via analytical multigroup diffusion theory
NASA Astrophysics Data System (ADS)
Panfili, P.; Luciani, A.; Furfaro, R.; Ganapol, B. D.; Mostacci, D.
A novel analytical solution to the 1D, steady-state, multi-slab, multi-group diffusion equation is proposed as a mean to compute the energy-dependent galactic cosmic ray-induced neutron fluxes established in planetary media. More specifically, the proposed algorithm is implemented to allow fast and highly accurate determination of low-energy cosmic ray neutrons inside the Earth's surface and atmosphere. Two sets of experimental measurements have been considered to validate our model. In both cases, a good agreement between the calculated and observed neutron fluxes is achieved. Subsequently, neutron diffusion calculations have been performed for various Earth-based scenarios comprising (a) two-slab (air-soil) configuration and (b) three-slab (air-soil-ice) configuration to investigate the functional relationship between soil composition and neutron spatial distribution.
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.
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.
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, 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
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
ERIC Educational Resources Information Center
Rupp, Andre A.
2005-01-01
This article presents a novel exploratory multigroup approach that quantifies relative group differences within an item response theory framework using tools from functional data analysis. Specifically, examinee groups are formed using different clustering methodologies based on background and attitudinal variable profiles. Item parameters for the…
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.
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.
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.
NASA Astrophysics Data System (ADS)
Al-Chalabi, Rifat M. Khalil
1997-09-01
Development of an improvement to the computational efficiency of the existing nested iterative solution strategy of the Nodal Exapansion Method (NEM) nodal based neutron diffusion code NESTLE is presented. The improvement in the solution strategy is the result of developing a multilevel acceleration scheme that does not suffer from the numerical stalling associated with a number of iterative solution methods. The acceleration scheme is based on the multigrid method, which is specifically adapted for incorporation into the NEM nonlinear iterative strategy. This scheme optimizes the computational interplay between the spatial discretization and the NEM nonlinear iterative solution process through the use of the multigrid method. The combination of the NEM nodal method, calculation of the homogenized, neutron nodal balance coefficients (i.e. restriction operator), efficient underlying smoothing algorithm (power method of NESTLE), and the finer mesh reconstruction algorithm (i.e. prolongation operator), all operating on a sequence of coarser spatial nodes, constitutes the multilevel acceleration scheme employed in this research. Two implementations of the multigrid method into the NESTLE code were examined; the Imbedded NEM Strategy and the Imbedded CMFD Strategy. The main difference in implementation between the two methods is that in the Imbedded NEM Strategy, the NEM solution is required at every MG level. Numerical tests have shown that the Imbedded NEM Strategy suffers from divergence at coarse- grid levels, hence all the results for the different benchmarks presented here were obtained using the Imbedded CMFD Strategy. The novelties in the developed MG method are as follows: the formulation of the restriction and prolongation operators, and the selection of the relaxation method. The restriction operator utilizes a variation of the reactor physics, consistent homogenization technique. The prolongation operator is based upon a variant of the pin power
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.
Ferizi, Uran; Scherrer, Benoit; Schneider, Torben; Alipoor, Mohammad; Eufracio, Odin; Fick, Rutger H J; Deriche, Rachid; Nilsson, Markus; Loya-Olivas, Ana K; Rivera, Mariano; Poot, Dirk H J; Ramirez-Manzanares, Alonso; Marroquin, Jose L; Rokem, Ariel; Pötter, Christian; Dougherty, Robert F; Sakaie, Ken; Wheeler-Kingshott, Claudia; Warfield, Simon K; Witzel, Thomas; Wald, Lawrence L; Raya, José G; Alexander, Daniel C
2017-09-01
A large number of mathematical models have been proposed to describe the measured signal in diffusion-weighted (DW) magnetic resonance imaging (MRI). However, model comparison to date focuses only on specific subclasses, e.g. compartment models or signal models, and little or no information is available in the literature on how performance varies among the different types of models. To address this deficiency, we organized the 'White Matter Modeling Challenge' during the International Symposium on Biomedical Imaging (ISBI) 2015 conference. This competition aimed to compare a range of different kinds of models in their ability to explain a large range of measurable in vivo DW human brain data. Specifically, we assessed the ability of models to predict the DW signal accurately for new diffusion gradients and b values. We did not evaluate the accuracy of estimated model parameters, as a ground truth is hard to obtain. We used the Connectome scanner at the Massachusetts General Hospital, using gradient strengths of up to 300 mT/m and a broad set of diffusion times. We focused on assessing the DW signal prediction in two regions: the genu in the corpus callosum, where the fibres are relatively straight and parallel, and the fornix, where the configuration of fibres is more complex. The challenge participants had access to three-quarters of the dataset and their models were ranked on their ability to predict the remaining unseen quarter of the data. The challenge provided a unique opportunity for a quantitative comparison of diverse methods from multiple groups worldwide. The comparison of the challenge entries reveals interesting trends that could potentially influence the next generation of diffusion-based quantitative MRI techniques. The first is that signal models do not necessarily outperform tissue models; in fact, of those tested, tissue models rank highest on average. The second is that assuming a non-Gaussian (rather than purely Gaussian) noise model provides
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.
Lau, Ying; Htun, Tha Pyai; Lim, Peng Im; Ho-Lim, Sarah Su Tin; Chi, Claudia; Tsai, Cammy; Ong, Kai Wen; Klainin-Yobas, Piyanee
2017-02-01
Identifying the factors influencing breastfeeding attitude is significant for the implementation of effective promotion policies and counselling activities. To our best knowledge, no previous studies have modelled the relationships among breastfeeding attitude, health-related quality of life and maternal obesity among multi-ethnic pregnant women; the current study attempts to fill this research gap. This study investigated the relationships among maternal characteristics, health-related quality of life and breastfeeding attitude amidst normal weight and overweight/obese pregnant women using a multi-group structural equation modelling approach. Exploratory cross-sectional design was used. Antenatal clinics of a university-affiliated hospital PARTICIPANTS: Pregnant women were invited to participate; 708 (78.8%) agreed to participate in the study. We examined a hypothetical model on the basis of integrating the concepts of a breastfeeding decision-making model, theory of planned behaviour-based model for breastfeeding and health-related quality of life model among 708 multi-ethnic pregnant women in Singapore. The Iowa Infant Feeding Attitude Scale and Medical Outcomes Study Short Form Health Survey were used to measure breastfeeding attitude and health-related quality of life, respectively. Two structural equation models demonstrated that better health-related quality of life, higher monthly household income, planned pregnancy and previous exclusive breastfeeding experience were significantly associated with positive breastfeeding attitude among normal and overweight/obese pregnant women. Among normal weight pregnant women, those who were older with higher educational level were more likely to have positive breastfeeding attitude. Among overweight/obese pregnant women, Chinese women with confinement nanny plan were less likely to have positive breastfeeding attitude. No significant difference existed between normal weight and overweight/obese pregnant women concerning
NASA Astrophysics Data System (ADS)
Brodrick, Jonathan; Ridgers, Christopher; Dudson, Ben; Kingham, Robert; Marinak, Marty; Patel, Mehul; Umansky, Maxim; Chankin, Alex; Omotani, John
2016-10-01
Nonlocal heat transport, occurring when temperature gradients become steep on the scale of the electron mean free path (mfp), has proven critical in accurately predicting ignition-scale hohlraum energetics. A popular approach, and modern alternative to flux limiters, is the `SNB' model. This is implemented in both the HYDRA code used for simulating National Ignition Facility experiments and the CHIC code developed at the CELIA laboratory. We have performed extensive comparisons of the SNB heat flow predictions with two VFP codes, IMPACT and KIPP and found that calibrating the mfp to achieve agreement for a linear problem also improves nonlinear accuracy. Furthermore, we identify that using distinct electron-ion and electron-electron mfp's instead of a geometrically averaged one improves predictive capability when there are strong ionisation (Z) gradients. This work is funded by EPSRC Grant EP/K504178/1.
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.
Smart nonlinear diffusion: a probabilistic approach.
Bao, Yufang; Krim, Hamid
2004-01-01
In this paper, a stochastic interpretation of nonlinear diffusion equations used for image filtering is proposed. This is achieved by relating the problem of evolving/smoothing images to that of tracking the transition probability density functions of an underlying random process. We show that such an interpretation of, e.g., Perona-Malik equation, in turn allows additional insight and sufficient flexibility to further investigate some outstanding problems of nonlinear diffusion techniques. In particular, upon unraveling the limitations as well as the advantages of such an equation, we are able to propose a new approach which is demonstrated to improve performance over existing approaches and, more importantly, to lift the longstanding problem of a stopping criterion for a nonlinear evolution equation with no data term constraint. Substantiating examples in image enhancement and segmentation are provided.
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…
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…
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.
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
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).
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
Testing Measurement Invariance in the Target Rotated Multigroup Exploratory Factor Model
ERIC Educational Resources Information Center
Dolan, Conor V.; Oort, Frans J.; Stoel, Reinoud D.; Wicherts, Jelte M.
2009-01-01
We propose a method to investigate measurement invariance in the multigroup exploratory factor model, subject to target rotation. We consider both oblique and orthogonal target rotation. This method has clear advantages over other approaches, such as the use of congruence measures. We demonstrate that the model can be implemented readily in the…
Multidimensional Simulations of Core Collapse Supernovae Using Multigroup Neutrino Transport
NASA Astrophysics Data System (ADS)
Calder, Alan Clark
We couple two-dimensional hydrodynamics to realistic one-dimensional multigroup flux-limited diffusion neutrino transport to investigate the role of two types of convection in core collapse supernovae. The types are protoneutron star convection and neutrino-driven convection. Initial conditions, time-dependent boundary conditions, and neutrino distributions for computing neutrino heating, cooling, and deleptonization rates are obtained from one-dimensional simulations that implement multigroup flux-limited diffusion and one-dimensional hydrodynamics. We find that in the presence of neutrino transport, protoneutron star convection velocities are too small relative to bulk inflow velocities to result in any significant convective transport of entropy and leptons. This is evident in our two-dimensional entropy snapshots, which in this case appear spherically symmetric. The peak angle-averaged radial and angular convection velocities are orders of magnitude smaller than they are in the corresponding 'hydrodynamics only' models. A simple analytical model that supports our numerical results is given. We also investigate neutrino-driven convection in core collapse supernovae and its ramifications for the explosion mechanism. We begin with an 'optimistic' 15 M⊙ precollapse model, which is representative of the class of stars with compact iron cores. We find that neutrino-driven convection develops, but our simulations fail to produce explosions. Failure of this 'optimistic' 15 M⊙ Newtonian model leads us to conclude that it is unlikely, at least in our approximation, that neutrino-driven convection will lead to explosions for more massive stars with fatter iron cores or in cases in which general relativity is included.
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.
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.
Reflector modelling of small high leakage cores making use of multi-group nodal equivalence theory
Theron, S. A.; Reitsma, F.
2012-07-01
This research focuses on modelling reflectors in typical material testing reactors (MTRs). Equivalence theory is used to homogenise and collapse detailed transport solutions to generate equivalent nodal parameters and albedo boundary conditions for reflectors, for subsequent use in full core nodal diffusion codes. This approach to reflector modelling has been shown to be accurate for two-group large commercial light water reactor (LWR) analysis, but has not been investigated for MTRs. MTRs are smaller, with much larger leakage, environment sensitivity and multi-group spectrum dependencies than LWRs. This study aims to determine if this approach to reflector modelling is an accurate and plausible homogenisation technique for the modelling of small MTR cores. The successful implementation will result in simplified core models, better accuracy and improved efficiency of computer simulations. Codes used in this study include SCALE 6.1, OSCAR-4 and EQUIVA (the last two codes are developed and used at Necsa). The results show a five times reduction in calculational time for the proposed reduced reactor model compared to the traditional explicit model. The calculated equivalent parameters however show some sensitivity to the environment used to generate them. Differences in the results compared to the current explicit model, require more careful investigation including comparisons with a reference result, before its implementation can be recommended. (authors)
Multigroup cross section library for GFR2400
NASA Astrophysics Data System (ADS)
Čerba, Štefan; Vrban, Branislav; Lüley, Jakub; Haščík, Ján; Nečas, Vladimír
2017-09-01
In this paper the development and optimization of the SBJ_E71 multigroup cross section library for GFR2400 applications is discussed. A cross section processing scheme, merging Monte Carlo and deterministic codes, was developed. Several fine and coarse group structures and two weighting flux options were analysed through 18 benchmark experiments selected from the handbook of ICSBEP and based on performed similarity assessments. The performance of the collapsed version of the SBJ_E71 library was compared with MCNP5 CE ENDF/B VII.1 and the Korean KAFAX-E70 library. The comparison was made based on integral parameters of calculations performed on full core homogenous models.
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 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.
Raskach, K. F.
2012-12-15
In multigroup calculations of reactivity and sensitivity coefficients, methodical errors can appear if the interdependence of multigroup constants is not taken into account. For this effect to be taken into account, so-called implicit components of the aforementioned values are introduced. A simple technique for computing these values is proposed. It is based on the use of subgroup parameters.
Robust multi-group gene set analysis with few replicates.
Mishra, Pashupati P; Medlar, Alan; Holm, Liisa; Törönen, Petri
2016-12-09
Competitive gene set analysis is a standard exploratory tool for gene expression data. Permutation-based competitive gene set analysis methods are preferable to parametric ones because the latter make strong statistical assumptions which are not always met. For permutation-based methods, we permute samples, as opposed to genes, as doing so preserves the inter-gene correlation structure. Unfortunately, up until now, sample permutation-based methods have required a minimum of six replicates per sample group. We propose a new permutation-based competitive gene set analysis method for multi-group gene expression data with as few as three replicates per group. The method is based on advanced sample permutation technique that utilizes all groups within a data set for pairwise comparisons. We present a comprehensive evaluation of different permutation techniques, using multiple data sets and contrast the performance of our method, mGSZm, with other state of the art methods. We show that mGSZm is robust, and that, despite only using less than six replicates, we are able to consistently identify a high proportion of the top ranked gene sets from the analysis of a substantially larger data set. Further, we highlight other methods where performance is highly variable and appears dependent on the underlying data set being analyzed. Our results demonstrate that robust gene set analysis of multi-group gene expression data is permissible with as few as three replicates. In doing so, we have extended the applicability of such approaches to resource constrained experiments where additional data generation is prohibitively difficult or expensive. An R package implementing the proposed method and supplementary materials are available from the website http://ekhidna.biocenter.helsinki.fi/downloads/pashupati/mGSZm.html .
An implicit RBF meshless approach for time fractional diffusion equations
NASA Astrophysics Data System (ADS)
Liu, Q.; Gu, Y. T.; Zhuang, P.; Liu, F.; Nie, Y. F.
2011-07-01
This paper aims to develop an implicit meshless approach based on the radial basis function (RBF) for numerical simulation of time fractional diffusion equations. The meshless RBF interpolation is firstly briefed. The discrete equations for two-dimensional time fractional diffusion equation (FDE) are obtained by using the meshless RBF shape functions and the strong-forms of the time FDE. The stability and convergence of this meshless approach are discussed and theoretically proven. Numerical examples with different problem domains and different nodal distributions are studied to validate and investigate accuracy and efficiency of the newly developed meshless approach. It has proven that the present meshless formulation is very effective for modeling and simulation of fractional differential equations.
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.
An extended analytical approach for diffuse optical imaging.
Erkol, H; Nouizi, F; Unlu, M B; Gulsen, G
2015-07-07
In this work, we introduce an analytical method to solve the diffusion equation in a cylindrical geometry. This method is based on an integral approach to derive the Green's function for specific boundary conditions. Using our approach, we obtain comprehensive analytical solutions with the Robin boundary condition for diffuse optical imaging in both two and three dimensions. The solutions are expressed in terms of the optical properties of tissue and the amplitude and position of the light source. Our method not only works well inside the tissue but provides very accurate results near the tissue boundaries as well. The results obtained by our method are first compared with those obtained by a conventional analytical method then validated using numerical simulations. Our new analytical method allows not only implementation of any boundary condition for a specific problem but also fast simulation of light propagation making it very suitable for iterative image reconstruction algorithms.
Travelling Wave Solutions in Multigroup Age-Structured Epidemic Models
NASA Astrophysics Data System (ADS)
Ducrot, Arnaut; Magal, Pierre; Ruan, Shigui
2010-01-01
Age-structured epidemic models have been used to describe either the age of individuals or the age of infection of certain diseases and to determine how these characteristics affect the outcomes and consequences of epidemiological processes. Most results on age-structured epidemic models focus on the existence, uniqueness, and convergence to disease equilibria of solutions. In this paper we investigate the existence of travelling wave solutions in a deterministic age-structured model describing the circulation of a disease within a population of multigroups. Individuals of each group are able to move with a random walk which is modelled by the classical Fickian diffusion and are classified into two subclasses, susceptible and infective. A susceptible individual in a given group can be crisscross infected by direct contact with infective individuals of possibly any group. This process of transmission can depend upon the age of the disease of infected individuals. The goal of this paper is to provide sufficient conditions that ensure the existence of travelling wave solutions for the age-structured epidemic model. The case of two population groups is numerically investigated which applies to the crisscross transmission of feline immunodeficiency virus (FIV) and some sexual transmission diseases.
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.
Mapping Diffusion in a Living Cell via the Phasor Approach
Ranjit, Suman; Lanzano, Luca; Gratton, Enrico
2014-01-01
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
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.
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.
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
A Consistent Approach to Solving the Radiation Diffusion Equation
Hammer, J H; Rosen, M D
2002-11-06
Diffusive x-ray-driven heat waves are found in a variety of astrophysical and laboratory settings, e.g. in the heating of a hohlraum used for ICF, and hence are of intrinsic interest. However, accurate analytic diffusion wave (also called Marshak wave) solutions are difficult to obtain due to the strong non-linearity of the radiation diffusion equation. The typical approach is to solve near the heat front, and by ansatz apply the solution globally. This works fairly well due to ''steepness'' of the heat front, but energy is not conserved and it does not lead to a consistent way of correcting the solution or estimating accuracy. We employ the steepness of the front through a perturbation expansion in {var_epsilon} = {beta}/(4+{alpha}), where the internal energy varies as T{sup {beta}} and the opacity varies as T{sup -{alpha}}. We solve using an iterative approach, equivalent to asymptotic methods that match outer (away from the front) and inner (near the front) solutions. Typically {var_epsilon} < 0.3. Calculations are through first order in {var_epsilon} and are accurate to {approx} 10%, which is comparable to the inaccuracy from assuming power laws for material properties. We solve for supersonic waves with arbitrary drive time history, including the case of a rapidly cooling surface, and generalize the method to arbitrary temperature dependence of opacity and internal energy. We also solve for subsonic waves with drive temperature varying as a power of time. In the subsonic case, the specific heat, (pressure/density) and opacity are each assumed to vary as density to a small power, of order {var_epsilon}. We find the theory compares well with radiation hydrodynamics code calculations of the heat front position, absorbed flux and ablation pressure.
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.
NASA Astrophysics Data System (ADS)
Cai, Li; Pénéliau, Yannick; Diop, Cheikh M.; Malvagi, Fausto
2014-06-01
In this paper, we discuss some improvements we recently implemented in the Monte-Carlo code TRIPOLI-4® associated with the homogenization and collapsing of subassemblies cross sections. The improvement offered us another approach to get critical multigroup cross sections with Monte-Carlo method. The new calculation method in TRIPOLI-4® tries to ensure the neutronic balances, the multiplicative factors and the critical flux spectra for some realistic geometries. We make it by at first improving the treatment of the energy transfer probability, the neutron excess weight and the neutron fission spectrum. This step is necessary for infinite geometries. The second step which will be enlarged in this paper is aimed at better dealing with the multigroup anisotropy distribution law for finite geometries. Usually, Monte-Carlo homogenized multi-group cross sections are validated within a core calculation by a deterministic code. Here, the validation of multigroup constants will also be carried out by Monte-Carlo core calculation code. Different subassemblies are tested with the new collapsing method, especially for the fast neutron reactors subassemblies.
Coupled multigroup cross sections for hydrogen interactions in plasmas
NASA Astrophysics Data System (ADS)
Wienke, B. R.; Morel, J. E.; Cayton, T. E.; Howell, R. B.
1985-10-01
Using analytical fits to the experimental cross sections for H 3 H 2, and H 2+ interactions in plasmas, developed by Gryzinski, Riviere, Jones, and Freeman, we obtain coupled multigroup cross sections and rate coefficients for hydrogen transport applications. Multigroup cross sections and rate coefficients, for specified energy group boundaries, plasma particle and temperature profiles, and cylindrical plasma confinement radius, are generated against a spatially dependent, local Maxwellian scattering background. Cross sections are formatted for direct use in production multigroup S n, Monte Carlo, or specific transport applications. Ten coupled hydrogen reactions are included and resulting cross sections for ionization, scattering, and production can be coupled or decoupled. Reactions treated include H, H 2 ionization by electrons and protons, H, H 2 charge exchange, and H 2, H 2+ dissociative mechanisms. We detail the formalism used to compute effective cross sections and rates and give practicle results for two fusion reactors.
Ryu, Ehri; Cheong, Jeewon
2017-01-01
In this article, we evaluated the performance of statistical methods in single-group and multi-group analysis approaches for testing group difference in indirect effects and for testing simple indirect effects in each group. We also investigated whether the performance of the methods in the single-group approach was affected when the assumption of equal variance was not satisfied. The assumption was critical for the performance of the two methods in the single-group analysis: the method using a product term for testing the group difference in a single path coefficient, and the Wald test for testing the group difference in the indirect effect. Bootstrap confidence intervals in the single-group approach and all methods in the multi-group approach were not affected by the violation of the assumption. We compared the performance of the methods and provided recommendations. PMID:28553248
Stochastic Functional Data Analysis: A Diffusion Model-based Approach
Zhu, Bin; Song, Peter X.-K.; Taylor, Jeremy M.G.
2011-01-01
Summary This paper presents a new modeling strategy in functional data analysis. We consider the problem of estimating an unknown smooth function given functional data with noise. The unknown function is treated as the realization of a stochastic process, which is incorporated into a diffusion model. The method of smoothing spline estimation is connected to a special case of this approach. The resulting models offer great flexibility to capture the dynamic features of functional data, and allow straightforward and meaningful interpretation. The likelihood of the models is derived with Euler approximation and data augmentation. A unified Bayesian inference method is carried out via a Markov Chain Monte Carlo algorithm including a simulation smoother. The proposed models and methods are illustrated on some prostate specific antigen data, where we also show how the models can be used for forecasting. PMID:21418053
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 new multigroup method for cross-sections that vary rapidly in energy
Haut, Terry Scot; Ahrens, Cory D.; Jonko, Alexandra; Lowrie, Robert B.; Till, Andrew
2016-11-04
Here, we present a numerical method for solving the time-independent thermal radiative transfer (TRT) equation or the neutron transport (NT) equation when the opacity (cross-section) varies rapidly in frequency (energy) on the microscale ε; ε corresponds to the characteristic spacing between absorption lines or resonances, and is much smaller than the macroscopic frequency (energy) variation of interest. The approach is based on a rigorous homogenization of the TRT/NT equation in the frequency (energy) variable. Discretization of the homogenized TRT/NT equation results in a multigroup-type system, and can therefore be solved by standard methods.
Ianuş, Andrada; Shemesh, Noam
2017-09-03
Diffusion MRI is confounded by the need to acquire at least two images separated by a repetition time, thereby thwarting the detection of rapid dynamic microstructural changes. The issue is exacerbated when diffusivity variations are accompanied by rapid changes in T2 . The purpose of the present study is to accelerate diffusion MRI acquisitions such that both reference and diffusion-weighted images necessary for quantitative diffusivity mapping are acquired in a single-shot experiment. A general methodology termed incomplete initial nutation diffusion imaging (INDI), capturing two diffusion contrasts in a single shot, is presented. This methodology creates a longitudinal magnetization reservoir that facilitates the successive acquisition of two images separated by only a few milliseconds. The theory behind INDI is presented, followed by proof-of-concept studies in water phantom, ex vivo, and in vivo experiments at 16.4 and 9.4 T. Mean diffusivities extracted from INDI were comparable with diffusion tensor imaging and the two-shot isotropic diffusion encoding in the water phantom. In ex vivo mouse brain tissues, as well as in the in vivo mouse brain, mean diffusivities extracted from conventional isotropic diffusion encoding and INDI were in excellent agreement. Simulations for signal-to-noise considerations identified the regimes in which INDI is most beneficial. The INDI method accelerates diffusion MRI acquisition to single-shot mode, which can be of great importance for mapping dynamic microstructural properties in vivo without T2 bias. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.
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…
The Problem of Convergence and Commitment in Multigroup Evaluation Planning.
ERIC Educational Resources Information Center
Hausken, Chester A.
This paper outlines a model for multigroup evaluation planning in a rural-education setting wherein the commitment to the structure necessary to evaluate a program is needed on the part of a research and development laboratory, the state departments of education, county supervisors, and the rural schools. To bridge the gap between basic research,…
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%.
Coupled diffusion in lipid bilayers upon close approach
Pronk, Sander; Lindahl, Erik; Kasson, Peter M.
2014-12-23
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. As a result, such altered dynamics at membrane–membrane interfaces may both stabilize the interfacial contact and slow fusion stalk formation within the interface region.
Coupled diffusion in lipid bilayers upon close approach
Pronk, Sander; Lindahl, Erik; Kasson, Peter M.
2014-12-23
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 apposedmore » 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. As a result, such altered dynamics at membrane–membrane interfaces may both stabilize the interfacial contact and slow fusion stalk formation within the interface region.« less
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.
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
Langevin equation approach to diffusion magnetic resonance imaging.
Cooke, Jennie M; Kalmykov, Yuri P; Coffey, William T; Kerskens, Christian M
2009-12-01
The normal phase diffusion problem in magnetic resonance imaging (MRI) is treated by means of the Langevin equation for the phase variable using only the properties of the characteristic function of Gaussian random variables. The calculation may be simply extended to anomalous diffusion using a fractional generalization of the Langevin equation proposed by Lutz [E. Lutz, Phys. Rev. E 64, 051106 (2001)] pertaining to the fractional Brownian motion of a free particle coupled to a fractal heat bath. The results compare favorably with diffusion-weighted experiments acquired in human neuronal tissue using a 3 T MRI scanner.
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.
Anisotropic ion diffusivity in intervertebral disc: an electrical conductivity approach.
Jackson, Alicia; Yao, Hai; Brown, Mark D; Yong Gu, Wei
2006-11-15
Investigation of the transport behavior of ions in intervertebral disc using an electrical conductivity method. To determine the electrical conductivity and ion diffusivity of nucleus pulposus and anulus fibrosus in 3 major directions (axial, circumferential, and radial). Knowledge of diffusivity of small molecules is important for understanding nutrition supply in intervertebral disc and disc degeneration. However, little is known on the anisotropic behaviors of ion diffusivity and of electrical conductivity in intervertebral disc. Electrical conductivity measurement was performed on 24 axial, circumferential, and radial anulus fibrosus specimens and 24 axial nucleus pulposus specimens from bovine coccygeal discs. The diffusivity of Na and Cl were estimated by the analysis of conductivity data. The electrical conductivity (mean +/- standard deviation; n = 24) of the bovine anulus fibrosus was 4.70 +/- 1.08 mS/cm in the axial, 2.86 +/- 0.83 mS/cm in the radial, and 4.38 +/- 1.25 mS/cm in the circumferential direction. For nucleus pulposus, the electrical conductivity (mean +/- standard deviation; n = 24) was 8.95 +/- 0.89 mS/cm. The mean value for nucleus pulposus was significantly higher than that of anulus fibrosus (t test, P < 0.05). For anulus fibrosus, the conductivity in the radial direction was significantly lower than in axial or circumferential directions. Similar trends were found for both Na and Cl diffusivities. Both electrical conductivity and ion diffusivity were highly sensitive to water content. Electrical conductivity and ion diffusivity of anulus fibrosus are anisotropic.
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
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.
Barros, R.C. de; Larsen, E.W. )
1991-01-01
A generalization of the one-group Spectral Green's Function (SGF) method is developed for multigroup, slab-geometry discrete ordinates (S{sub N}) problems. The multigroup SGF method is free from spatial truncation errors; it generated numerical values for the cell-edge and cell-average angular fluxes that agree with the analytic solution of the multigroup S{sub N} equations. Numerical results are given to illustrate the method's accuracy.
Diffusion processes in tumors: A nuclear medicine approach
Amaya, Helman
2016-07-07
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 {sup 18}F-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 {sup 18}F-FDG is necessary to include pharmacokinetic models, to make a correct interpretation of the gradient magnitude and Laplacian of counts images.
Current approaches to the management of early active diffuse scleroderma skin disease.
Nihtyanova, Svetlana I; Denton, Christopher P
2008-02-01
Skin sclerosis is a clinical hallmark of systemic sclerosis (SSc) and provides a means to classify and evaluate patients. In the diffuse cutaneous subset, skin involvement is often extensive and warrants direct therapy. Currently, broad spectrum immunosuppressive strategies are used, but more targeted specific approaches are now emerging. This article reviews the evidence for efficacy of current treatment approaches and future developments for managing skin disease in early diffuse cutaneous SSc.
Beyond the mixing-length theory - A turbulent diffusivity approach
NASA Astrophysics Data System (ADS)
Unno, W.
The use of single mode theory and Xiong's (1979, 1981) theory is considered for approximating the dynamics of convection. In the largest eddy limit, the simulation of turbulent convection is reduced to Xiong's nonlocal mixing-length theory, with application to the construction of stellar convection zones. The spectral theory is valid for large wave numbers and provides correct estimates for the eddy diffusivities. Using nonlinear convection theory, the single mode simulation with an effective Reynolds number of about 10 is shown to correctly simulate the dynamics of large scale flow. It is noted that the single mode simulation also has application to the study of the hydrodynamical properties of steller convection zones.
Disentangling micro from mesostructure by diffusion MRI: A Bayesian approach.
Reisert, Marco; Kellner, Elias; Dhital, Bibek; Hennig, Jürgen; Kiselev, Valerij G
2017-02-15
Diffusion-sensitized magnetic resonance imaging probes the cellular structure of the human brain, but the primary microstructural information gets lost in averaging over higher-level, mesoscopic tissue organization such as different orientations of neuronal fibers. While such averaging is inevitable due to the limited imaging resolution, we propose a method for disentangling the microscopic cell properties from the effects of mesoscopic structure. We further avoid the classical fitting paradigm and use supervised machine learning in terms of a Bayesian estimator to estimate the microstructural properties. The method finds detectable parameters of a given microstructural model and calculates them within seconds, which makes it suitable for a broad range of neuroscientific applications.
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.
Status of multigroup cross-section data for shielding applications
Roussin, R.W.; Maskewitz, B.F.; Trubey, D.K.
1983-01-01
Multigroup cross-section libraries for shielding applications in formats for direct use in discrete ordinates or Monte Carlo codes have long been a part of the Data Library Collection (DLC) of the Radiation Shielding Information Center (RSIC). In recent years libraries in more flexible and comprehensive formats, which allow the user to derive his own problem-dependent sets, have been added to the collection. The current status of both types is described, as well as projections for adding data libraries based on ENDF/B-V.
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.
Kim, Daeun; Doyle, Eamon K; Wisnowski, Jessica L; Kim, Joong Hee; Haldar, Justin P
2017-03-19
To propose and evaluate a novel multidimensional approach for imaging subvoxel tissue compartments called Diffusion-Relaxation Correlation Spectroscopic Imaging. Multiexponential modeling of MR diffusion or relaxation data is commonly used to infer the many different microscopic tissue compartments that contribute signal to macroscopic MR imaging voxels. However, multiexponential estimation is known to be difficult and ill-posed. Observing that this ill-posedness is theoretically reduced in higher dimensions, diffusion-relaxation correlation spectroscopic imaging uses a novel multidimensional imaging experiment that jointly encodes diffusion and relaxation information, and then uses a novel constrained reconstruction technique to generate a multidimensional diffusion-relaxation correlation spectrum for every voxel. The peaks of the multidimensional spectrum are expected to correspond to the distinct tissue microenvironments that are present within each macroscopic imaging voxel. Using numerical simulations, experiment data from a custom-built phantom, and experiment data from a mouse model of traumatic spinal cord injury, diffusion-relaxation correlation spectroscopic imaging is demonstrated to provide substantially better multicompartment resolving power compared to conventional diffusion- and relaxation-based methods. The diffusion-relaxation correlation spectroscopic imaging approach provides powerful new capabilities for resolving the different components of multicompartment tissue models, and can be leveraged to significantly expand the insights provided by MRI in studies of tissue microstructure. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.
Importance of resonance interference effects in multigroup self-shielding calculation
Stachowski, R.E.; Protsik, R.
1995-12-31
The impact of the resonance interference method (RIF) on multigroup neutron cross sections is significant for major isotopes in the fuel, indicating the importance of resonance interference in the computation of gadolinia burnout and plutonium buildup. The self-shielding factor method with the RIF method effectively eliminates shortcomings in multigroup resonance calculations.
MUXS: a code to generate multigroup cross sections for sputtering calculations
Hoffman, T.J.; Robinson, M.T.; Dodds, H.L. Jr.
1982-10-01
This report documents MUXS, a computer code to generate multigroup cross sections for charged particle transport problems. Cross sections generated by MUXS can be used in many multigroup transport codes, with minor modifications to these codes, to calculate sputtering yields, reflection coefficients, penetration distances, etc.
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.
Kinetic-equation approach to diffusive superconducting hybrid devices
Stoof, T.H.; Nazarov, Y.V.
1996-06-01
We present calculations of the temperature-dependent electrostatic and chemical potential distributions in disordered normal metal-superconductor structures. We show that they differ appreciably in the presence of a superconducting terminal and propose an experiment to measure these two different potential distributions. We also compute the resistance change in these structures due to a recently proposed mechanism which causes a finite effect at zero temperature. The relative resistance change due to this effect is of the order of the interaction parameter in the normal metal. Finally a detailed calculation of the resistance change due to the temperature dependence of Andreev reflection in diffusive systems is presented. We find that the maximal magnitude due to this thermal effect is in general much larger than the magnitude of the interaction effect. {copyright} {ital 1996 The American Physical Society.}
A new multigroup method for cross-sections that vary rapidly in energy
NASA Astrophysics Data System (ADS)
Haut, T. S.; Ahrens, C.; Jonko, A.; Lowrie, R.; Till, A.
2017-01-01
We present a numerical method for solving the time-independent thermal radiative transfer (TRT) equation or the neutron transport (NT) equation when the opacity (cross-section) varies rapidly in frequency (energy) on the microscale ε; ε corresponds to the characteristic spacing between absorption lines or resonances, and is much smaller than the macroscopic frequency (energy) variation of interest. The approach is based on a rigorous homogenization of the TRT/NT equation in the frequency (energy) variable. Discretization of the homogenized TRT/NT equation results in a multigroup-type system, and can therefore be solved by standard methods. We demonstrate the accuracy and efficiency of the approach on three model problems. First we consider the Elsasser band model with constant temperature and a line spacing ε =10-4 . Second, we consider a neutron transport application for fast neutrons incident on iron, where the characteristic resonance spacing ε necessitates ≈ 16 , 000 energy discretization parameters if Planck-weighted cross sections are used. Third, we consider an atmospheric TRT problem for an opacity corresponding to water vapor over a frequency range 1000-2000 cm-1, where we take 12 homogeneous layers between 1-15 km, and temperature/pressure values in each layer from the standard US atmosphere. For all three problems, we demonstrate that we can achieve between 0.1 and 1 percent relative error in the solution, and with several orders of magnitude fewer parameters than a standard multigroup formulation using Planck-weighted (source-weighted) opacities for a comparable accuracy.
Multigroup Equivalence Analysis for High-Dimensional Expression Data
Yang, Celeste; Bartolucci, Alfred A.; Cui, Xiangqin
2015-01-01
Hypothesis tests of equivalence are typically known for their application in bioequivalence studies and acceptance sampling. Their application to gene expression data, in particular high-dimensional gene expression data, has only recently been studied. In this paper, we examine how two multigroup equivalence tests, the F-test and the range test, perform when applied to microarray expression data. We adapted these tests to a well-known equivalence criterion, the difference ratio. Our simulation results showed that both tests can achieve moderate power while controlling the type I error at nominal level for typical expression microarray studies with the benefit of easy-to-interpret equivalence limits. For the range of parameters simulated in this paper, the F-test is more powerful than the range test. However, for comparing three groups, their powers are similar. Finally, the two multigroup tests were applied to a prostate cancer microarray dataset to identify genes whose expression follows a prespecified trajectory across five prostate cancer stages. PMID:26628859
Multigroup Equivalence Analysis for High-Dimensional Expression Data.
Yang, Celeste; Bartolucci, Alfred A; Cui, Xiangqin
2015-01-01
Hypothesis tests of equivalence are typically known for their application in bioequivalence studies and acceptance sampling. Their application to gene expression data, in particular high-dimensional gene expression data, has only recently been studied. In this paper, we examine how two multigroup equivalence tests, the F-test and the range test, perform when applied to microarray expression data. We adapted these tests to a well-known equivalence criterion, the difference ratio. Our simulation results showed that both tests can achieve moderate power while controlling the type I error at nominal level for typical expression microarray studies with the benefit of easy-to-interpret equivalence limits. For the range of parameters simulated in this paper, the F-test is more powerful than the range test. However, for comparing three groups, their powers are similar. Finally, the two multigroup tests were applied to a prostate cancer microarray dataset to identify genes whose expression follows a prespecified trajectory across five prostate cancer stages.
Advanced diffusion MRI and biomarkers in the central nervous system: a new approach.
Martín Noguerol, T; Martínez Barbero, J P
The introduction of diffusion-weighted sequences has revolutionized the detection and characterization of central nervous system (CNS) disease. Nevertheless, the assessment of diffusion studies of the CNS is often limited to qualitative estimation. Moreover, the pathophysiological complexity of the different entities that affect the CNS cannot always be correctly explained through classical models. The development of new models for the analysis of diffusion sequences provides numerous parameters that enable a quantitative approach to both diagnosis and prognosis as well as to monitoring the response to treatment; these parameters can be considered potential biomarkers of health and disease. In this update, we review the physical bases underlying diffusion studies and diffusion tensor imaging, advanced models for their analysis (intravoxel coherent motion and kurtosis), and the biological significance of the parameters derived. Copyright © 2017 SERAM. Publicado por Elsevier España, S.L.U. All rights reserved.
Nonlinear approach to difference imaging in diffuse optical tomography.
Mozumder, Meghdoot; Tarvainen, Tanja; Seppänen, Aku; Nissilä, Ilkka; Arridge, Simon R; Kolehmainen, Ville
2015-10-01
Difference imaging aims at recovery of the change in the optical properties of a body based on measurements before and after the change. Conventionally, the image reconstruction is based on using difference of the measurements and a linear approximation of the observation model. One of the main benefits of the linearized difference reconstruction is that the approach has a good tolerance to modeling errors, which cancel out partially in the subtraction of the measurements. However, a drawback of the approach is that the difference images are usually only qualitative in nature and their spatial resolution can be weak because they rely on the global linearization of the nonlinear observation model. To overcome the limitations of the linear approach, we investigate a nonlinear approach for difference imaging where the images of the optical parameters before and after the change are reconstructed simultaneously based on the two datasets. We tested the feasibility of the method with simulations and experimental data from a phantom and studied how the approach tolerates modeling errors like domain truncation, optode coupling errors, and domain shape errors.
Rheumatoid arthritis causing diffuse alveolar haemorrhage: a novel therapeutic approach.
Osman, Afaf; Galiatsatos, Panagis; Bose, Sonali; Danoff, Sonye
2017-06-14
Pulmonary vascular involvement due to rheumatoid arthritis, presenting as diffuse alveolar haemorrhage (DAH), is a rare phenomenon, especially if there are no signs of systemic vasculitides. Furthermore, how to proceed with the management of these patients is challenging, as in the case of our patient, who had recurrent DAH. We present a case of a patient with known rheumatoid arthritis who had recurrence of DAH that spanned over several years, often presenting with life-threatening respiratory failure. While her DAH presentation improved with high-dose glucocorticoids, to resolve her recurrence, we opted to initiate treatment with rituximab, with a short course of azathioprine. After the second round of rituximab, the patient continues to do well without any further DAH-related complications. We also summarise prior cases of such patients to highlight variable treatment options. © BMJ Publishing Group Ltd (unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.
Diffusion-direction-dependent imaging: a novel MRI approach for peripheral nerve imaging.
Skorpil, Mikael; Engström, Mathias; Nordell, Anders
2007-04-01
A novel magnetic resonance imaging approach, called diffusion-direction-dependent imaging (DDI), is introduced. Due to inherent anisotropic diffusion properties, peripheral nerves can be visualized on diffusion tensor imaging (DTI). The largest signal attenuation on DTI correlates with the direction of a nerve fiber, and the least signal attenuation correlates with the direction perpendicular to the nerve fiber. Since low signal-to-noise ratio is a concern in peripheral nerve DTI, we explored a new approach focusing on the perpendicular diffusion direction. A 36-gradient diffusion direction scheme was used. A mean expected curve specific for peripheral nerves was calculated based on the sciatic nerve and its division into the common peroneal nerve and the tibial nerve in three healthy volunteers. By a simple postprocessing method, a comparison of the mean expected curve and the measured curve was made voxel by voxel, and the sciatic nerve and its division were reconstructed, excluding other tissues. More studies are needed to investigate whether other postprocessing methods or other diffusion direction schemes are more suited for peripheral nerve imaging with DDI. Further studies may also be of interest to investigate whether DDI can be a complementary method to conventional T(1)-weighted and T(2)-weighted sequences in the imaging of peripheral nerve pathology or even in the visualization of other tissues, possibly with different diffusion direction schemes.
Lin, Yu-Chun; Phua, Siew Cheng; Lin, Benjamin; Inoue, Takanari
2013-01-01
Diffusion barriers are universal solutions for cells to achieve distinct organizations, compositions, and activities within a limited space. The influence of diffusion barriers on the spatiotemporal dynamics of signaling molecules often determines cellular physiology and functions. Over the years, the passive permeability barriers in various subcellular locales have been characterized using elaborate analytical techniques. In this review, we will summarize the current state of knowledge on the various passive permeability barriers present in mammalian cells. We will conclude with a description of several conventional techniques and one new approach based on chemically-inducible diffusion trap (C-IDT) for probing permeable barriers. PMID:23731778
A Quantitative Approach to Analyze Binding Diffusion Kinetics by Confocal FRAP
Kang, Minchul; Day, Charles A.; DiBenedetto, Emmanuele; Kenworthy, Anne K.
2010-01-01
Most of the important types of interactions that occur in cells can be characterized as binding-diffusion type processes, and can be quantified by kinetic rate constants such as diffusion coefficients (D) and binding rate constants (kon and koff). Confocal FRAP is a potentially important tool for the quantitative analysis of intracellular binding-diffusion kinetics, but how to dependably extract accurate kinetic constants from such analyses is still an open question. To this end, in this study, we developed what we believe is a new analytical model for confocal FRAP-based measurements of intracellular binding-diffusion processes, based on a closed-form equation of the FRAP formula for a spot photobleach geometry. This approach incorporates a binding diffusion model that allows for diffusion of both the unbound and bound species, and also compensates for binding diffusion that occurs during photobleaching, a critical consideration in confocal FRAP analysis. In addition, to address the problem of parametric multiplicity, we propose a scheme to reduce the number of fitting parameters in the effective diffusion subregime when D's for the bound and unbound species are known. We validate this method by measuring kinetic rate constants for the CAAX-mediated binding of Ras to membranes of the endoplasmic reticulum, obtaining binding constants of kon ∼ 255/s and koff ∼ 31/s. PMID:21044570
A minimally diffusive interface function steepening approach for compressible multiphase flows
NASA Astrophysics Data System (ADS)
Regele, Jonathan
2015-11-01
Interface capturing methods for contacts and shocks are commonly used in compressible multiphase flows. Artificial diffusion is inherently necessary to stabilize jump discontinuities across shocks and contacts. Contacts suffer from diffusion more severely than shock waves because their characteristics are not convergent like shocks. Interface steepening procedures are commonly used to counteract numerical diffusion necessary to maintain a sharp interface function. In this work, a modification to the sharpening approach used in Shukla, Pantano, and Freund [J. Comp. Phys, 229, 2010] is developed that minimizes the artificial diffusion across the interface while maintaining a monotonic interface function. The method requires fewer iterations for convergence and provides a steeper interface function. Examples in one and two dimensions demonstrate the method's performance.
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
A multi-group firefly algorithm for numerical optimization
NASA Astrophysics Data System (ADS)
Tong, Nan; Fu, Qiang; Zhong, Caiming; Wang, Pengjun
2017-08-01
To solve the problem of premature convergence of firefly algorithm (FA), this paper analyzes the evolution mechanism of the algorithm, and proposes an improved Firefly algorithm based on modified evolution model and multi-group learning mechanism (IMGFA). A Firefly colony is divided into several subgroups with different model parameters. Within each subgroup, the optimal firefly is responsible for leading the others fireflies to implement the early global evolution, and establish the information mutual system among the fireflies. And then, each firefly achieves local search by following the brighter firefly in its neighbors. At the same time, learning mechanism among the best fireflies in various subgroups to exchange information can help the population to obtain global optimization goals more effectively. Experimental results verify the effectiveness of the proposed algorithm.
Multigroup covariance matrices for fast-reactor studies
Smith, J.D. III; Broadhead, B.L.
1981-04-01
This report presents the multigroup covariance matrices based on the ENDF/B-V nuclear data evaluations. The materials and reactions have been chosen according to the specifications of ORNL-5517. Several cross section covariances, other than those specified by that report, are included due to the derived nature of the uncertainty files in ENDF/B-V. The materials represented are Ni, Cr, /sup 16/O, /sup 12/C, Fe, Na, /sup 235/U, /sup 238/U, /sup 239/Pu, /sup 240/Pu, /sup 241/Pu, and /sup 10/B (present due to its correlation to /sup 238/U). The data have been originally processed into a 52-group energy structure by PUFF-II and subsequently collapsed to smaller subgroup strutures. The results are illustrated in 52-group correlation matrix plots and tabulated into thirteen groups for convenience.
A theoretical validation of the B-matrix spatial distribution approach to diffusion tensor imaging.
Borkowski, Karol; Kłodowski, Krzysztof; Figiel, Henryk; Krzyżak, Artur Tadeusz
2017-02-01
The recently presented B-matrix Spatial Distribution (BSD) approach is a calibration technique which derives the actual distribution of the B-matrix in space. It is claimed that taking into account the spatial variability of the B-matrix improves the accuracy of diffusion tensor imaging (DTI). The purpose of this study is to verify this approach theoretically through computer simulations. Assuming three different spatial distributions of the B-matrix, diffusion weighted signals were calculated for the six orientations of a model anisotropic phantom. Subsequently two variants of the BSD calibration were performed for each of the three cases; one with the assumption of high uniformity of the model phantom (uBSD-DTI) and the other taking into account imperfections in phantom structure (BSD-DTI). Several cases of varying degrees of phantom uniformity were analyzed and the distributions of the B-matrix obtained were used for the calculation of the diffusion tensor of a model isotropic phantom. The results were compared with standard diffusion tensor calculation. The simulations confirmed the improvement of accuracy in the determination of the diffusion tensor after the calibration. BSD-DTI improves accuracy independent of both the degree of uniformity of the phantom and the inhomogeneity of the B-matrix. In cases of a relatively good uniformity of the phantom and minor distortions in the spatial distribution of the B-matrix, the uBSD-DTI approach is sufficient.
A diffuse interface approach to phase transformation via virtual melting
NASA Astrophysics Data System (ADS)
Momeni, Kasra
This work represents development of the first phase field models and detailed study solid-solid transformations via intermediate melting within nanometer size interface. Such phase transformations can occur in different materials, including HMX energetic crystals, PbTiO3 nanowires, complex pharmaceutical substances, electronic and geological materials, as well as colloidal, and superhard materials. A thermodynamically consistent phase field model for three phases is developed using two polar order parameters. It includes the effect of energy and width of solid-solid and solid-melt interfaces, interaction between two solid-melt interfaces, temperature, mechanics, and interface stresses. The derived thermodynamic potential satisfies all the equilibrium and stability conditions for homogeneous phases. The HMX energetic crystal is used as the model material and numerical simulations are performed using COMSOL and Cystorm high performance computing facility. Depending on parameters, the intermediate melt may appear and disappear by continuous or discontinuous barrierless disordering or via critical nucleus due to thermal fluctuations. The intermediate melt may appear during heating and persist during cooling at temperatures well below what it follows from sharp-interface approach. For some parameters when intermediate melt is expected, it does not form, producing an intermediate melt free gap. Elastic energy promotes barrierless intermediate melt formation in terms of an increasing degree of disordering, interface velocity, and width of intermediate melt. Drastic reduction (by a factor of 16) of the energy of the critical nuclei of the intermediate melt within the solid-solid interface caused by mechanics is captured. Interfacial stresses surprisingly increase nucleation temperature for the intermediate melt. Interfacial stresses alter the kinetics of phase transformation, resulting in formation of new interfacial phases and drifting of a thermally activated spontaneous
NASA Astrophysics Data System (ADS)
Tarasevich, Yuri Yu; Laptev, Valeri V.; Burmistrov, Andrei S.; Lebovka, Nikolai I.
2017-09-01
Diffusion in a two-species two-dimensional system has been simulated using a lattice approach. Rodlike particles were considered as linear k-mers of two mutually perpendicular orientations (k x - and k y -mers) on a square lattice. These k x - and k y -mers were treated as species of two kinds. A random sequential adsorption model was used to produce an initial homogeneous distribution of k-mers. The concentration of k-mers, p, was varied in the range from 0.1 to the jamming concentration, p j . By means of the Monte Carlo technique, translational diffusion of the k-mers was simulated as a random walk, while rotational diffusion was ignored. We demonstrated that the diffusion coefficients are strongly anisotropic and nonlinearly concentration-dependent. For sufficiently large concentrations (packing densities) and k ≥slant 6 , the system tends toward a well-organized steady state. Boundary conditions predetermine the final state of the system. When periodic boundary conditions are applied along both directions of the square lattice, the system tends to a steady state in the form of diagonal stripes. The formation of stripe domains takes longer time the larger the lattice size, and is observed only for concentrations above a particular critical value. When insulating (zero flux) boundary conditions are applied along both directions of the square lattice, each kind of k-mer tries to completely occupy a half of the lattice divided by a diagonal, e.g. k x -mers locate in the upper left corner, while the k y -mers are situated in the lower right corner (‘yin–yang’ pattern). From time to time, regions built of k x - and k y -mers exchange their locations through irregular patterns. When mixed boundary conditions are used (periodic boundary conditions are applied along one direction whereas insulating boundary conditions are applied along the other one), the system still tends to form the stripes, but they are unstable and change their spatial orientation.
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…
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.
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.
Diffusion in Homogeneous and in Inhomogeneous Media: A New Unified Approach.
Mercier Franco, Luís Fernando; Castier, Marcelo; Economou, Ioannis G
2016-11-08
We propose a new method to calculate the diffusion coefficient within molecular dynamics simulations for either homogeneous or inhomogeneous fluids. We formulate such method by solving analytically the Smoluchowski equation for a linear potential of mean force within a thin layer with absorbing boundary conditions. The bulk, or homogeneous, fluid diffusion emerges as a particular case in this approach. We apply this method to bulk liquid water at atmospheric pressure and different temperatures using the SPC/E water force field. We show that our method gives results as accurate as the traditional Einstein-Smoluchowski method, avoiding the fitting procedure required in the traditional method. We also apply this method for molten sodium chloride showing its applicability for multicomponent systems. The water vapor-liquid interface is studied as an example of an inhomogeneous system. We calculate all the components of the diffusion tensor at the interface. We observe the same anisotropy between the perpendicular and the parallel components at the interface as it has been noted in the literature. We also calculate the perpendicular self-diffusion coefficient of methane near the calcite surface showing that this coefficient is much lower than the parallel diffusion coefficients. We believe that this new unified approach is a very promising technique for both bulk and confined media.
A novel approach toward the simultaneous diffusion of boron and phosphorus in silicon
Krygowski, T.; Rohatgi, A.
1997-01-01
A novel technique is described for simultaneously diffusion boron and phosphorus on opposite sides of a silicon wafer for the fabrication of simple, high-efficiency solar cells. The solid doping sources used in this approach are fabricated using standard POCl{sub 3} and BBr{sub 3} liquid sources and can be tailored to produce a wide range of boron and phosphorus diffusion profiles for a fixed thermal diffusion cycle. Uniformity of sheet resistance across a 49 cm{sup 2} area is greater than 95% in many cases. Unique to this approach is that the resulting diffusion glass is extremely thin, which allows for the in situ growth of a thin thermal oxide for surface passivation, without appreciably increasing the reflectance of the solar cell after applying the antireflection coating. Measurements of the saturation current density (J{sub o}) by the photoconductance decay technique gave a low J{sub o} of 33.3 fA/cm{sup 2} for a phosphorus-diffused sample with in situ oxide surface passivation, and a J{sub o} of 292 fA/cm{sup 2} for a boron-diffused sample. Initial solar cell fabrication experiments with simple, untextured n{sup +}pp{sup +} structures have produced efficiencies as high as 17%, displaying fill factors of 0.79 and shunt resistances greater than 65,000 {Omega}-cm{sup 2}, demonstrating that no detectable cross-doping takes place during this new simultaneous boron and phosphorus diffusion technique.
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
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.
Cantisano, Gabriela Topa; Domínguez, J Francisco Morales; García, J Luis Caeiro
2007-05-01
This study focuses on the mediator role of social comparison in the relationship between perceived breach of psychological contract and burnout. A previous model showing the hypothesized effects of perceived breach on burnout, both direct and mediated, is proposed. The final model reached an optimal fit to the data and was confirmed through multigroup analysis using a sample of Spanish teachers (N = 401) belonging to preprimary, primary, and secondary schools. Multigroup analyses showed that the model fit all groups adequately.
Ion Diffusion-Directed Assembly Approach to Ultrafast Coating of Graphene Oxide Thick Multilayers.
Zhao, Xiaoli; Gao, Weiwei; Yao, Weiquan; Jiang, Yanqiu; Xu, Zhen; Gao, Chao
2017-09-05
The layer-by-layer (LbL) assembly approach has been widely used to fabricate multilayer coatings on substrates with multiple cycles, whereas it is hard to access thick films efficiently. Here, we developed an ion diffusion-directed assembly (IDDA) strategy to rapidly make multilayer thick coatings in one step on arbitrary substrates. To achieve multifunctional coatings, graphene oxide (GO) and metallic ions were selected as the typical building blocks and diffusion director in IDDA, respectively. With diffusion of metallic ions from substrate to negatively charged GO dispersion spontaneously (i.e., from high-concentration region to low-concentration region), GO was assembled onto the substrate sheet-by-sheet via sol-gel transformation. Because metallic ions with size of subnanometers can diffuse directionally and freely in the aqueous dispersion, GO was coated on the substrate efficiently, giving rise to films with desired thickness up to 10 μm per cycle. The IDDA approach shows three main merits: (1) high efficiency with a μm-scale coating rate; (2) controllability over thickness and evenness; and (3) generality for substrates of plastics, metals and ceramics with any shapes and morphologies. With these merits, IDDA strategy was utilized in the efficient fabrication of functional graphene coatings that exhibit outstanding performance as supercapacitors, electromagnetic interference shielding textiles, and anticorrosion coatings. This IDDA approach can be extended to other building blocks including polymers and colloidal nanoparticles, promising for the scalable production and application of multifunctional coatings.
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.
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.
Diffusion in mesoporous materials and polymers swelling: a transient calorimetric approach.
Nedelec, Jean-Marie; Grolier, Jean Pierre E; Baba, Mohamed
2008-09-01
The diffusion of water and benzene has been followed by DSC using the thermoporosimetry (TPM) approach. The diffusion of water has been observed during the drying of a water impregnated mesoporous silica gel at 40 degrees C under dry air. It was found that the confinement affects the evaporation rate of water. The diffusion of benzene has been observed during the drying and the swelling of a cross linked PDMS sample. The mesh size distributions (MSD) of the elastomer, during swelling and drying, have been calculated at various times using the TPM formalism. Extrapolating the mean mesh size of the polymeric network, it was found that the dry polymer has an average mesh of about 2.5 nm.
Stochastic simulation of reaction-diffusion systems: A fluctuating-hydrodynamics approach
Kim, Changho; Nonaka, Andy; Bell, John B.; ...
2017-03-24
Here, we develop numerical methods for stochastic reaction-diffusion systems based on approaches used for fluctuating hydrodynamics (FHD). For hydrodynamic systems, the FHD formulation is formally described by stochastic partial differential equations (SPDEs). In the reaction-diffusion systems we consider, our model becomes similar to the reaction-diffusion master equation (RDME) description when our SPDEs are spatially discretized and reactions are modeled as a source term having Poisson fluctuations. However, unlike the RDME, which becomes prohibitively expensive for an increasing number of molecules, our FHD-based description naturally extends from the regime where fluctuations are strong, i.e., each mesoscopic cell has few (reactive) molecules,more » to regimes with moderate or weak fluctuations, and ultimately to the deterministic limit. By treating diffusion implicitly, we avoid the severe restriction on time step size that limits all methods based on explicit treatments of diffusion and construct numerical methods that are more efficient than RDME methods, without compromising accuracy. Guided by an analysis of the accuracy of the distribution of steady-state fluctuations for the linearized reaction-diffusion model, we construct several two-stage (predictor-corrector) schemes, where diffusion is treated using a stochastic Crank-Nicolson method, and reactions are handled by the stochastic simulation algorithm of Gillespie or a weakly second-order tau leaping method. We find that an implicit midpoint tau leaping scheme attains second-order weak accuracy in the linearized setting and gives an accurate and stable structure factor for a time step size of an order of magnitude larger than the hopping time scale of diffusing molecules. We study the numerical accuracy of our methods for the Schlögl reaction-diffusion model both in and out of thermodynamic equilibrium. We demonstrate and quantify the importance of thermodynamic fluctuations to the formation of a
Stochastic simulation of reaction-diffusion systems: A fluctuating-hydrodynamics approach
NASA Astrophysics Data System (ADS)
Kim, Changho; Nonaka, Andy; Bell, John B.; Garcia, Alejandro L.; Donev, Aleksandar
2017-03-01
We develop numerical methods for stochastic reaction-diffusion systems based on approaches used for fluctuating hydrodynamics (FHD). For hydrodynamic systems, the FHD formulation is formally described by stochastic partial differential equations (SPDEs). In the reaction-diffusion systems we consider, our model becomes similar to the reaction-diffusion master equation (RDME) description when our SPDEs are spatially discretized and reactions are modeled as a source term having Poisson fluctuations. However, unlike the RDME, which becomes prohibitively expensive for an increasing number of molecules, our FHD-based description naturally extends from the regime where fluctuations are strong, i.e., each mesoscopic cell has few (reactive) molecules, to regimes with moderate or weak fluctuations, and ultimately to the deterministic limit. By treating diffusion implicitly, we avoid the severe restriction on time step size that limits all methods based on explicit treatments of diffusion and construct numerical methods that are more efficient than RDME methods, without compromising accuracy. Guided by an analysis of the accuracy of the distribution of steady-state fluctuations for the linearized reaction-diffusion model, we construct several two-stage (predictor-corrector) schemes, where diffusion is treated using a stochastic Crank-Nicolson method, and reactions are handled by the stochastic simulation algorithm of Gillespie or a weakly second-order tau leaping method. We find that an implicit midpoint tau leaping scheme attains second-order weak accuracy in the linearized setting and gives an accurate and stable structure factor for a time step size of an order of magnitude larger than the hopping time scale of diffusing molecules. We study the numerical accuracy of our methods for the Schlögl reaction-diffusion model both in and out of thermodynamic equilibrium. We demonstrate and quantify the importance of thermodynamic fluctuations to the formation of a two
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.
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.
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.
Read, Jacquelyne A; Woerpel, K A
2017-02-17
Competition experiments demonstrate that additions of allylmagnesium halides to carbonyl compounds, unlike additions of other organomagnesium reagents, occur at rates approaching the diffusion rate limit. Whereas alkylmagnesium and alkyllithium reagents could differentiate between electronically or sterically different carbonyl compounds, allylmagnesium reagents reacted with most carbonyl compounds at similar rates. Even additions to esters occurred at rates competitive with additions to aldehydes. Only in the case of particularly sterically hindered substrates, such as those bearing tertiary alkyl groups, were additions slower.
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.
Simplified approach for calculating moments of action for linear reaction-diffusion equations.
Ellery, Adam J; Simpson, Matthew J; McCue, Scott W; Baker, Ruth E
2013-11-01
The mean action time is the mean of a probability density function that can be interpreted as a critical time, which is a finite estimate of the time taken for the transient solution of a reaction-diffusion equation to effectively reach steady state. For high-variance distributions, the mean action time underapproximates the critical time since it neglects to account for the spread about the mean. We can improve our estimate of the critical time by calculating the higher moments of the probability density function, called the moments of action, which provide additional information regarding the spread about the mean. Existing methods for calculating the nth moment of action require the solution of n nonhomogeneous boundary value problems which can be difficult and tedious to solve exactly. Here we present a simplified approach using Laplace transforms which allows us to calculate the nth moment of action without solving this family of boundary value problems and also without solving for the transient solution of the underlying reaction-diffusion problem. We demonstrate the generality of our method by calculating exact expressions for the moments of action for three problems from the biophysics literature. While the first problem we consider can be solved using existing methods, the second problem, which is readily solved using our approach, is intractable using previous techniques. The third problem illustrates how the Laplace transform approach can be used to study coupled linear reaction-diffusion equations.
Maximum entropy Eddington factors in flux-limited neutrino diffusion
NASA Astrophysics Data System (ADS)
Cernohorsky, Jan; Vandenhorn, L. J.; Cooperstein, J.
A neutrino transport scheme for use in dense stellar environments and collapsing stars is constructed. The maximum entropy principle is used to establish the general form of the angular neutrino distribution functions. The two Lagrange multipliers introduced by this procedure are determined by using the Flux-limited Diffusion Theory (FDT) of Levermore and Pomraning. The anisotropic scattering contribution is taken into account. Its inclusion leads to a modification of the Levermore-Pomraning approach. The transition from a multigroup to an energy integrated transport scheme for FDT is investigated. The link to the two fluid model of Cooperstein et al is made. This extended two fluid model parametrizes the thermal and chemical disequilibrium between matter and neutrinos. The variable Eddington factors are now self-consistently determined through a local dimensionless quantity, rather than by macroscopic geometrical prescription.
Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy.
Wehner, Johannes; Falge, Mirjam; Strunz, Walter T; Engel, Volker
2014-10-07
We apply the quantum diffusion wavefunction approach to calculate vibronic two-dimensional (2D) spectra. As an example, we use a system consisting of two electronic states with harmonic oscillator potentials which are coupled to a bath and interact with three time-delayed laser pulses. The first- and second-order perturbative wave functions which enter into the expression for the third-order polarization are determined for a sufficient number of stochastic runs. The wave-packet approach, besides being an alternative technique to calculate the spectra, offers an intuitive insight into the dissipation dynamics and its relation to the 2D vibronic spectra.
Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy
Wehner, Johannes; Falge, Mirjam; Engel, Volker; Strunz, Walter T.
2014-10-07
We apply the quantum diffusion wavefunction approach to calculate vibronic two-dimensional (2D) spectra. As an example, we use a system consisting of two electronic states with harmonic oscillator potentials which are coupled to a bath and interact with three time-delayed laser pulses. The first- and second-order perturbative wave functions which enter into the expression for the third-order polarization are determined for a sufficient number of stochastic runs. The wave-packet approach, besides being an alternative technique to calculate the spectra, offers an intuitive insight into the dissipation dynamics and its relation to the 2D vibronic spectra.
Multigroup Radiation-Hydrodynamics with a High-Order, Low-Order Method
Wollaber, Allan Benton; Park, HyeongKae; Lowrie, Robert Byron; ...
2016-12-09
Recent efforts at Los Alamos National Laboratory to develop a moment-based, scale-bridging [or high-order (HO)–low-order (LO)] algorithm for solving large varieties of the transport (kinetic) systems have shown promising results. A part of our ongoing effort is incorporating this methodology into the framework of the Eulerian Applications Project to achieve algorithmic acceleration of radiationhydrodynamics simulations in production software. By starting from the thermal radiative transfer equations with a simple material-motion correction, we derive a discretely consistent energy balance equation (LO equation). We demonstrate that the corresponding LO system for the Monte Carlo HO solver is closely related to the originalmore » LO system without material-motion corrections. We test the implementation on a radiative shock problem and show consistency between the energy densities and temperatures in the HO and LO solutions as well as agreement with the semianalytic solution. We also test the approach on a more challenging two-dimensional problem and demonstrate accuracy enhancements and algorithmic speedups. This paper extends a recent conference paper by including multigroup effects.« less
Multigroup Radiation-Hydrodynamics with a High-Order, Low-Order Method
Wollaber, Allan Benton; Park, HyeongKae; Lowrie, Robert Byron; Rauenzahn, Rick M.; Cleveland, Mathew Allen
2016-12-09
Recent efforts at Los Alamos National Laboratory to develop a moment-based, scale-bridging [or high-order (HO)–low-order (LO)] algorithm for solving large varieties of the transport (kinetic) systems have shown promising results. A part of our ongoing effort is incorporating this methodology into the framework of the Eulerian Applications Project to achieve algorithmic acceleration of radiationhydrodynamics simulations in production software. By starting from the thermal radiative transfer equations with a simple material-motion correction, we derive a discretely consistent energy balance equation (LO equation). We demonstrate that the corresponding LO system for the Monte Carlo HO solver is closely related to the original LO system without material-motion corrections. We test the implementation on a radiative shock problem and show consistency between the energy densities and temperatures in the HO and LO solutions as well as agreement with the semianalytic solution. We also test the approach on a more challenging two-dimensional problem and demonstrate accuracy enhancements and algorithmic speedups. This paper extends a recent conference paper by including multigroup effects.
Modelling diseases with relapse and nonlinear incidence of infection: a multi-group epidemic model.
Wang, Jinliang; Pang, Jingmei; Liu, Xianning
2014-01-01
In this paper, we introduce a basic reproduction number for a multi-group SIR model with general relapse distribution and nonlinear incidence rate. We find that basic reproduction number plays the role of a key threshold in establishing the global dynamics of the model. By means of appropriate Lyapunov functionals, a subtle grouping technique in estimating the derivatives of Lyapunov functionals guided by graph-theoretical approach and LaSalle invariance principle, it is proven that if it is less than or equal to one, the disease-free equilibrium is globally stable and the disease dies out; whereas if it is larger than one, some sufficient condition is obtained in ensuring that there is a unique endemic equilibrium which is globally stable and thus the disease persists in the population. Furthermore, our results suggest that general relapse distribution are not the reason of sustained oscillations. Biologically, our model might be realistic for sexually transmitted diseases, such as Herpes, Condyloma acuminatum, etc.
Białowolski, Piotr
In this paper, we investigate the link between the formal definition of confidence in tendency surveys and its measurement. We advocate for the use of reflective measures in an assessment of the confidence level in both consumer and industrial indicators. Based on the data from Poland's tendency survey research, we use a multi-group confirmatory factor analytical approach to demonstrate that the set of indicators proposed by the European Commission methodology that is currently used might be not appropriate to measure the concept of confidence consistently, both within and between periods. The conclusion is true for the confidence indicator in the area of consumer tendency surveys and for the tendency survey in the manufacturing industry. We search for possible amendments that help either to find the sources of instability for the indicators proposed by the guidelines of the European Commission or to select a different set of indicators for the concept of confidence. However, we determine that the differences between the newly proposed indicator that describe industrial confidence and the indicators based on the European Commission methodology are small in terms of correlations and predictive validity.
Modelling diseases with relapse and nonlinear incidence of infection: a multi-group epidemic model
Wang, Jinliang; Pang, Jingmei; Liu, Xianning
2014-01-01
In this paper, we introduce a basic reproduction number for a multi-group SIR model with general relapse distribution and nonlinear incidence rate. We find that basic reproduction number plays the role of a key threshold in establishing the global dynamics of the model. By means of appropriate Lyapunov functionals, a subtle grouping technique in estimating the derivatives of Lyapunov functionals guided by graph-theoretical approach and LaSalle invariance principle, it is proven that if it is less than or equal to one, the disease-free equilibrium is globally stable and the disease dies out; whereas if it is larger than one, some sufficient condition is obtained in ensuring that there is a unique endemic equilibrium which is globally stable and thus the disease persists in the population. Furthermore, our results suggest that general relapse distribution are not the reason of sustained oscillations. Biologically, our model might be realistic for sexually transmitted diseases, such as Herpes, Condyloma acuminatum, etc. PMID:24963980
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.
Water diffusion through a membrane protein channel: a first passage time approach.
van Hijkoop, Vincent J; Dammers, Anton J; Malek, Kourosh; Coppens, Marc-Olivier
2007-08-28
Water diffusion through OmpF, a porin in the outer membrane of Escherichia coli, is studied by molecular dynamics simulation. A first passage time approach allows characterizing the diffusive properties of a well-defined region of this channel. A carbon nanotube, which is considerably more homogeneous, serves as a model to validate the methodology. Here we find, in addition to the expected regular behavior, a gradient of the diffusion coefficient at the channel ends, witness of the transition from confinement in the channel to bulk behavior in the connected reservoirs. Moreover, we observe the effect of a kinetic boundary layer, which is the counterpart of the initial ballistic regime in a mean square displacement analysis. The overall diffusive behavior of water in OmpF shows remarkable similarity with that in a homogeneous channel. However, a small fraction of the water molecules appears to be trapped by the protein wall for considerable lengths of time. The distribution of trapping times exhibits a broad power law distribution psi(tau) approximately tau (-2.4), up to tau=10 ns, a bound set by the length of the simulation run. We discuss the effect of this distribution on the dynamic properties of water in OmpF in terms of incomplete sampling of phase space.
Environmental stress cracking in gamma-irradiated polycarbonate - A diffusion approach
NASA Astrophysics Data System (ADS)
Silva, Pietro Paolo J. C. de O.; Araújo, Patricia L. B.; da Silveira, Leopoldo B. B.; Araújo, Elmo S.
2017-01-01
Polycarbonate (PC) is an engineering polymer which presents interesting properties. This material has been also used in medical devices, which is frequently exposed to gamma radiosterilization and to chemical agents. This may produce significant changes in polymer structure, leading to failure in service. The present work brings about a new approach on environmental stress cracking (ESC) processes elucidation in 100 kGy gamma-irradiated PC, by evaluating the diffusion process of methanol or 2-propanol in test specimens and determining the diffusion parameters on solvent-irradiated polymer systems. A comparison of diffusion parameters for both solvents indicated that methanol has a considerable ESC action on PC, with diffusion parameter of 7.5×10-14±1% m2 s-1 for non-irradiated PC and 7.8×10-14±2.8% m2 s-1 for PC irradiated at 100 kGy. In contrast, 2-propanol did not act as an ESC agent, as it did promote neither swelling nor cracks in the test specimens. These results were confirmed by visual analysis and optical microscopy. Unexpectedly, structural damages evidenced in tensile strength tests suggested that 2-propanol is as aggressive as methanol chemical for PC. Moreover, although some manufacturers indicate the use of 2-propanol as a cleaning product for PC artifacts, such use should be avoided in parts under mechanical stress.
A Monte Carlo approach to the inverse problem of diffuse pollution risk in agricultural catchments.
Milledge, David G; Lane, Stuart N; Heathwaite, A Louise; Reaney, Sim M
2012-09-01
The hydrological and biogeochemical processes that operate in catchments influence the ecological quality of freshwater systems through delivery of fine sediment, nutrients and organic matter. Most models that seek to characterise the delivery of diffuse pollutants from land to water are reductionist. The multitude of processes that are parameterised in such models to ensure generic applicability make them complex and difficult to test on available data. Here, we outline an alternative--data-driven--inverse approach. We apply SCIMAP, a parsimonious risk based model that has an explicit treatment of hydrological connectivity. We take a bayesian approach to the inverse problem of determining the risk that must be assigned to different land uses in a catchment in order to explain the spatial patterns of measured in-stream nutrient concentrations. We apply the model to identify the key sources of nitrogen (N) and phosphorus (P) diffuse pollution risk in eleven UK catchments covering a range of landscapes. The model results show that: 1) some land use generates a consistently high or low risk of diffuse nutrient pollution; but 2) the risks associated with different land uses vary both between catchments and between nutrients; and 3) that the dominant sources of P and N risk in the catchment are often a function of the spatial configuration of land uses. Taken on a case-by-case basis, this type of inverse approach may be used to help prioritise the focus of interventions to reduce diffuse pollution risk for freshwater ecosystems. Copyright © 2012 Elsevier B.V. All rights reserved.
A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles
NASA Astrophysics Data System (ADS)
Hauser, Andreas W.; Schnedlitz, Martin; Ernst, Wolfgang E.
2017-06-01
A kinetic Monte Carlo approach on a coarse-grained lattice is developed for the simulation of surface diffusion processes of Ni, Pd and Au structures with diameters in the range of a few nanometers. Intensity information obtained via standard two-dimensional transmission electron microscopy imaging techniques is used to create three-dimensional structure models as input for a cellular automaton. A series of update rules based on reaction kinetics is defined to allow for a stepwise evolution in time with the aim to simulate surface diffusion phenomena such as Rayleigh breakup and surface wetting. The material flow, in our case represented by the hopping of discrete portions of metal on a given grid, is driven by the attempt to minimize the surface energy, which can be achieved by maximizing the number of filled neighbor cells.
NASA Astrophysics Data System (ADS)
Berrada, K.
2016-11-01
In this paper, we study the Fisher information for a quantum system consisting of two identical qubits, each of them locally interacting with a bosonic reservoir in the same environment for non-Markovian open, dissipative quantum system. Based on the influx of the information, we propose an information-theoretical approach for characterizing the time-dependent memory effect of environment and diffusion function under the effect of the physical parameters. More precisely, an interesting monotonic relation between the time derivative of quantum Fisher information (QFI) and diffusion function behavior is observed during the time evolution. The phenomenon is that the QFI, namely the precision of estimation, changes dramatically with the environment structure. The dependence of the physical parameters shows that the increasing in the temperature will damage the amount of the QFI with respect of the ratio between the reservoir cutoff frequency and the system oscillation frequency.
Unified semiclassical approach to electronic transport from diffusive to ballistic regimes
NASA Astrophysics Data System (ADS)
Geng, Hao; Deng, Wei-Yin; Ren, Yue-Jiao; Sheng, Li; Xing, Ding-Yu
2016-09-01
We show that by integrating out the electric field and incorporating proper boundary conditions, a Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General analytical formulas of the conductance in D = 1,2,3 dimensions are obtained, which recover the Boltzmann-Drude formula and Landauer-Büttiker formula in the diffusive and ballistic limits, respectively. This intuitive and efficient approach can be applied to investigate the interplay of system size and impurity scattering in various charge and spin transport phenomena, when the quantum interference effect is not important. Project supported by the National Basic Research Program of China (Grant Nos. 2015CB921202 and 2014CB921103) and the National Natural Science Foundation of China (Grant No. 11225420).
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.
A new approach to the problem of bulk-mediated surface diffusion
Berezhkovskii, Alexander M.; Dagdug, Leonardo; Bezrukov, Sergey M.
2015-01-01
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. PMID:26328814
Ghrayeb, S. Z.; Ouisloumen, M.; Ougouag, A. M.; Ivanov, K. N.
2012-07-01
A multi-group formulation for the exact neutron elastic scattering kernel is developed. This formulation is intended for implementation into a lattice physics code. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering, which in turn affect the estimation of core reactivity and burnup characteristics. A computer program has been written to test the formulation for various nuclides. Results of the multi-group code have been verified against the correct analytic scattering kernel. In both cases neutrons were started at various energies and temperatures and the corresponding scattering kernels were tallied. (authors)
A Dynamic Density Functional Theory Approach to Diffusion in White Dwarfs and Neutron Star Envelopes
NASA Astrophysics Data System (ADS)
Diaw, A.; Murillo, M. S.
2016-09-01
We develop a multicomponent hydrodynamic model based on moments of the Born-Bogolyubov-Green-Kirkwood-Yvon hierarchy equations for physical conditions relevant to astrophysical plasmas. These equations incorporate strong correlations through a density functional theory closure, while transport enters through a relaxation approximation. This approach enables the introduction of Coulomb coupling correction terms into the standard Burgers equations. The diffusive currents for these strongly coupled plasmas is self-consistently derived. The settling of impurities and its impact on cooling can be greatly affected by strong Coulomb coupling, which we show can be quantified using the direct correlation function.
A practical approach for quantifying acoustic emission signals using diffuse field measurements
NASA Astrophysics Data System (ADS)
Scholey, Jonathan J.; Wilcox, Paul D.
2009-03-01
Acoustic Emission (AE) testing is capable of detecting a wide range of defects using a relatively sparse sensor array and as a result is a candidate structural health monitoring technology. The widespread application of the technology is restricted by a lack of predictive modelling capability and quantitative source characteristic information. Most AE tests are conducted on small coupons where source characteristics are estimated using the early arriving part of the AE signal. The early arriving part of an AE signal, and therefore the source characteristics, are dependent on the source location, source orientation and specimen geometry making them unsuitable for use in predictive models. The work in this paper is concerned with making source characterisation measurements based on the diffuse field of an AE signal. A practical approach for calibrating the diffuse field amplitude is proposed and is demonstrated on AE signals from electrochemically accelerated corrosion of a 316L stainless steel plate. The diffuse field amplitude of several AE events is calculated and reported as an equivalent absolute force. The low signal to noise ratio and high attenuation of elastic wave energy are found to reduce the accuracy of the results.
Two-phase flow in complex geometries: A diffuse domain approach
Aland, S.; Voigt, A.
2011-01-01
We present a new method for simulating two-phase flows in complex geometries, taking into account contact lines separating immiscible incompressible components. We combine the diffuse domain method for solving PDEs in complex geometries with the diffuse-interface (phase-field) method for simulating multiphase flows. In this approach, the complex geometry is described implicitly by introducing a new phase-field variable, which is a smooth approximation of the characteristic function of the complex domain. The fluid and component concentration equations are reformulated and solved in larger regular domain with the boundary conditions being implicitly modeled using source terms. The method is straightforward to implement using standard software packages; we use adaptive finite elements here. We present numerical examples demonstrating the effectiveness of the algorithm. We simulate multiphase flow in a driven cavity on an extended domain and find very good agreement with results obtained by solving the equations and boundary conditions in the original domain. We then consider successively more complex geometries and simulate a droplet sliding down a rippled ramp in 2D and 3D, a droplet flowing through a Y-junction in a microfluidic network and finally chaotic mixing in a droplet flowing through a winding, serpentine channel. The latter example actually incorporates two different diffuse domains: one describes the evolving droplet where mixing occurs while the other describes the channel. PMID:21918638
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.
NASA Astrophysics Data System (ADS)
Ilas, Germina
In the first part, an accurate and fast computational method is presented as an alternative to the Monte Carlo or deterministic transport theory codes currently used to determine the subcriticality of spent fuel storage lattices. The method is capable of analyzing storage configurations with simple or complex lattice cell geometry. It is developed based on two-group nodal diffusion theory, with the nodal cross sections and discontinuity factors determined from continuous-energy Monte Carlo simulations of each unique node (spent fuel assembly type). Three different approaches are developed to estimate the node-averaged diffusion coefficient. The applicability and the accuracy of the nodal method are assessed in two-dimensional geometry through several benchmark configurations typical at Savannah River Site. It is shown that the multiplication constant of the analyzed configurations is within 1% of the MCNP results. In the second part, the high-order cross section homogenization method, recently developed by McKinley and Rahnema, is implemented in the context of two-group nodal diffusion theory. The method corrects the generalized equivalence theory homogenization parameters for the effect of the core environment. The reconstructed fine-mesh (fuel pin) flux and power distributions are a natural byproduct of this method. The method was not tested for multigroup problems, where it was assumed that the multigroup flux expansion in terms of the perturbation parameter is a convergent series. Here the applicability of the method to two-group problems is studied, and it is shown that the perturbation expansion series converges for the multigroup case. A two-group nodal diffusion code with a bilinear intra-nodal flux shape is developed for the implementation of the high-order homogenization method in the context of the generalized equivalence theory. The method is tested by using as a benchmark a core configuration typical of a BWR in slab geometry, which has large
A Systematic Solution Approach for Neutron Transport Problems in Diffuse Regimes
NASA Technical Reports Server (NTRS)
Manteuffel, T. A.; Ressel, K. J.
1996-01-01
A systematic solution approach for the neutron transport equation, based on a least-squares finite-element discretization, is presented. This approach includes the theory for the existence and uniqueness of the analytical as well as of the discrete solution, bounds for the discretization error, and guidance for the development of an efficient multigrid solver for the resulting discrete problem. To guarantee the accuracy of the discrete solution for diffusive regimes, a scaling transformation is applied to the transport operator prior to the discretization. The key result is the proof of the V-ellipticity and continuity of the scaled least-squares bilinear form with constants that are independent of the total cross section and the absorption cross section. For a variety of least-squares finite-element discretizations this leads to error bounds that remain valid in diffusive regimes. Moreover, for problems in slab geometry a full multigrid solver is presented with V(1, 1)-cycle convergence rates approximately equal to 0.1, independent of the size of the total cross section and the absorption cross section.
Unified path integral approach to theories of diffusion-influenced reactions
NASA Astrophysics Data System (ADS)
Prüstel, Thorsten; Meier-Schellersheim, Martin
2017-08-01
Building on mathematical similarities between quantum mechanics and theories of diffusion-influenced reactions, we develop a general approach for computational modeling of diffusion-influenced reactions that is capable of capturing not only the classical Smoluchowski picture but also alternative theories, as is here exemplified by a volume reactivity model. In particular, we prove the path decomposition expansion of various Green's functions describing the irreversible and reversible reaction of an isolated pair of molecules. To this end, we exploit a connection between boundary value and interaction potential problems with δ - and δ'-function perturbation. We employ a known path-integral-based summation of a perturbation series to derive a number of exact identities relating propagators and survival probabilities satisfying different boundary conditions in a unified and systematic manner. Furthermore, we show how the path decomposition expansion represents the propagator as a product of three factors in the Laplace domain that correspond to quantities figuring prominently in stochastic spatially resolved simulation algorithms. This analysis will thus be useful for the interpretation of current and the design of future algorithms. Finally, we discuss the relation between the general approach and the theory of Brownian functionals and calculate the mean residence time for the case of irreversible and reversible reactions.
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.
Total light approach of time-domain fluorescence diffuse optical tomography.
Marjono, Andhi; Yano, Akira; Okawa, Shinpei; Gao, Feng; Yamada, Yukio
2008-09-15
In this study, time-domain fluorescence diffuse optical tomography in biological tissue is numerically investigated using a total light approach. Total light is a summation of excitation light and zero-lifetime emission light divided by quantum yield. The zero-lifetime emission light is an emitted fluorescence light calculated by assuming that the fluorescence lifetime is zero. The zero-lifetime emission light is calculated by deconvolving the actually measured emission light with a lifetime function, an exponential function for fluorescence decay. The object for numerical simulation is a 2-D 10 mm-radius circle with the optical properties simulating biological tissues for near infrared light, and contains regions with fluorophore. The inverse problem of fluorescence diffuse optical tomography is solved using time-resolved simulated measurement data of the excitation and total lights for reconstructing the bsorption coefficient and fluorophore concentration simultaneously. The mean time of flight is used as the featured data-type extracted from the time-resolved data. The reconstructed images of fluorophore concentration show good quantitativeness and spatial reproducibility. By use of the total light approach, computation is performed much faster than the conventional ones.
Modelling a Wolbachia invasion using a slow-fast dispersal reaction-diffusion approach.
Chan, Matthew H T; Kim, Peter S
2013-09-01
This paper uses a reaction-diffusion approach to examine the dynamics in the spread of a Wolbachia infection within a population of mosquitoes in a homogeneous environment. The formulated model builds upon an earlier model by Skalski and Gilliam (Am. Nat. 161(3):441-458, 2003), which incorporates a slow and fast dispersal mode. This generates a faster wavespeed than previous reaction-diffusion approaches, which have been found to produce wavespeeds that are unrealistically slow when compared with direct observations. In addition, the model incorporates cytoplasmic incompatibility between male and female mosquitoes, which creates a strong Allee effect in the dynamics. In previous studies, linearised wavespeeds have been found to be inaccurate when a strong Allee effect is underpinning the dynamics. We provide a means to approximate the wavespeed generated by the model and show that it is in close agreement with numerical simulations. Wavespeeds are approximated for both Aedes aegypti and Drosophila simulans mosquitoes at different temperatures. These wavespeeds indicate that as the temperature decreases within the optimal temperature range for mosquito survival, the speed of a Wolbachia invasion increases for Aedes aegypti populations and decreases for Drosophila simulans populations.
ERIC Educational Resources Information Center
Hessen, David J.; Dolan, Conor V.; Wicherts, Jelte M.
2006-01-01
An alternative formulation of the multigroup common factor model with minimal uniqueness constraints is considered. This alternative formulation is based on a simple identification constraint that is related to the standard maximum likelihood constraint used in single-group common factor analysis. It is argued that the alternative formulation…
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…
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.
Variational methods in steady state diffusion problems
Lee, C.E.; Fan, W.C.P.; Bratton, R.L.
1983-01-01
Classical variational techniques are used to obtain accurate solutions to the multigroup multiregion one dimensional steady state neutron diffusion equation. Analytic solutions are constructed for benchmark verification. Functionals with cubic trial functions and conservational lagrangian constraints are exhibited and compared with nonconservational functionals with respect to neutron balance and to relative flux and current at interfaces. Excellent agreement of the conservational functionals using cubic trial functions is obtained in comparison with analytic solutions.
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.
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)
Capriotti, Margherita; Sternini, Simone; Lanza di Scalea, Francesco; Mariani, Stefano
2016-04-01
In the field of non-destructive evaluation, defect detection and visualization can be performed exploiting different techniques relying either on an active or a passive approach. In the following paper the passive technique is investigated due to its numerous advantages and its application to thermography is explored. In previous works, it has been shown that it is possible to reconstruct the Green's function between any pair of points of a sensing grid by using noise originated from diffuse fields in acoustic environments. The extraction of the Green's function can be achieved by cross-correlating these random recorded waves. Averaging, filtering and length of the measured signals play an important role in this process. This concept is here applied in an NDE perspective utilizing thermal fluctuations present on structural materials. Temperature variations interacting with thermal properties of the specimen allow for the characterization of the material and its health condition. The exploitation of the thermographic image resolution as a dense grid of sensors constitutes the basic idea underlying passive thermography. Particular attention will be placed on the creation of a proper diffuse thermal field, studying the number, placement and excitation signal of heat sources. Results from numerical simulations will be presented to assess the capabilities and performances of the passive thermal technique devoted to defect detection and imaging of structural components.
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.
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.
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.
Zhang, Hao; Sheng, Yin; Zeng, Zhigang
2017-03-15
This paper investigates the synchronization issue of coupled reaction-diffusion neural networks with directed topology via an adaptive approach. Due to the complexity of the network structure and the presence of space variables, it is difficult to design proper adaptive strategies on coupling weights to accomplish the synchronous goal. Under the assumptions of two kinds of special network structures, that is, directed spanning path and directed spanning tree, some novel edge-based adaptive laws, which utilized the local information of node dynamics fully are designed on the coupling weights for reaching synchronization. By constructing appropriate energy function, and utilizing some analytical techniques, several sufficient conditions are given. Finally, some simulation examples are given to verify the effectiveness of the obtained theoretical results.
Saigal, S. ); Chandra, A. )
1991-05-01
Design sensitivity analysis, along with the shape optimization of heat diffusion problems using the boundary element method (BEM), is presented in this paper. The present approach utilizes the implicit differentiation of discretized boundary integral equations with respect to the design variables to yield the sensitivity equations. A technique based on the response of an object to a constant boundary temperature is presented for the evaluation of singular terms in the thermal sensitivity kernels. A procedure for the design sensitivity analysis of a reduced system of equations obtained via substructuring and condensation is also presented. The BEM formulations are implemented for both two-dimensional and axisymmetric objects. A number of sample problems are solved to demonstrate the accuracy of the present sensitivity formulation and to obtain optimal configurations of some mechanical components of practical interest, which are subjected to different thermal environments.
Closures of the functional expansion hierarchy in the non-Markovian quantum state diffusion approach
NASA Astrophysics Data System (ADS)
Ritschel, Gerhard; Strunz, Walter T.; Eisfeld, Alexander
2017-08-01
To find a practical scheme to numerically solve the non-Markovian Quantum State Diffusion equation (NMQSD), one often uses a functional expansion of the functional derivative that appears in the general NMQSD equation. This expansion leads to a hierarchy of coupled operators. It turned out that if one takes only the zeroth order term into account, one has a very efficient method that agrees remarkably well with the exact results for many cases of interest. We denote this approach as zeroth order functional expansion (ZOFE). In the present work, we investigate two extensions of ZOFE. Firstly, we investigate how the hierarchy converges when taking higher orders into account (which, however, leads to a fast increase in numerical size). Secondly, we demonstrate that by using a terminator that approximates the higher order contributions, one can obtain significant improvement, at hardly any additional computational cost. We carry out our investigations for the case of absorption spectra of molecular aggregates.
Shulga, Dmytro; Morozov, Oleksii; Hunziker, Patrick
2016-12-19
Optical Diffusion Tomography (ODT) is a modern non-invasive medical imaging modality which requires mathematical modelling of near-infrared light propagation in tissue. Solving the ODT forward problem equation accurately and efficiently is crucial. Typically, the forward problem is represented by a Diffusion PDE and is solved using the Finite Element Method (FEM) on a mesh, which is often unstructured. Tensor B-spline signal processing has the attractive features of excellent interpolation and approximation properties, multiscale properties, fast algorithms and does not require meshing. This paper introduces Tensor B-spline methodology with arbitrary spline degree tailored to solve the ODT forward problem in an accurate and efficient manner. We show that our Tensor B-spline formulation induces efficient and highly parallelizable computational algorithms. Exploitation of B-spline properties for integration over irregular domains proved valuable. The Tensor B-spline solver was tested on standard problems and on synthetic medical data and compared to FEM, including state-ofthe art ODT forward solvers. Results show that 1) a significantly higher accuracy can be achieved with the same number of nodes, 2) fewer nodes are required to achieve a prespecified accuracy, 3) the algorithm converges in significantly fewer iterations to a given error. These findings support the value of Tensor Bspline methodology for high-performance ODT implementations. This may translate into advances in ODT imaging for biomedical research and clinical application.
Nodal predictive error model and Bayesian approach for thermal diffusivity and heat source mapping
NASA Astrophysics Data System (ADS)
Massard, H.; Fudym, Olivier; Orlande, H. R. B.; Batsale, J. C.
2010-07-01
This article aims at solving a two-dimensional inverse heat conduction problem in order to retrieve both the thermal diffusivity and heat source field in a thin plate. A spatial random heat pulse is applied to the plate and the thermal response is analysed. The inverse approach is based on the minimisation of a nodal predictive error model, which yields a linear estimation problem. As a result of this approach, the sensitivity matrix is directly filled with experimental data, and thus is partially noisy. Bayesian estimators, such as the Maximum A Posteriori and a Markov Chain Monte Carlo approach (Metropolis-Hastings), are implemented and compared with the Ordinary Least Squares solution. Simulated temperature measurements are used in the inverse analysis. The nodal strategy relies on the availability of temperature measurements with fine spatial resolution and high frequency, typical of nowadays infrared cameras. The effects of both the measurement errors and of the model errors on the inverse problem solution are also analysed.
A kinetic Monte Carlo approach to diffusion-controlled thermal desorption spectroscopy
NASA Astrophysics Data System (ADS)
Schablitzki, T.; Rogal, J.; Drautz, R.
2017-06-01
Atomistic simulations of thermal desorption spectra for effusion from bulk materials to characterize binding or trapping sites are a challenging task as large system sizes as well as extended time scales are required. Here, we introduce an approach where we combine kinetic Monte Carlo with an analytic approximation of the superbasins within the framework of absorbing Markov chains. We apply our approach to the effusion of hydrogen from BCC iron, where the diffusion within bulk grains is coarse grained using absorbing Markov chains, which provide an exact solution of the dynamics within a superbasin. Our analytic approximation to the superbasin is transferable with respect to grain size and elliptical shapes and can be applied in simulations with constant temperature as well as constant heating rate. The resulting thermal desorption spectra are in close agreement with direct kinetic Monte Carlo simulations, but the calculations are computationally much more efficient. Our approach is thus applicable to much larger system sizes and provides a first step towards an atomistic understanding of the influence of structural features on the position and shape of peaks in thermal desorption spectra. This article is part of the themed issue 'The challenges of hydrogen and metals'.
NASA Astrophysics Data System (ADS)
McCoy, Anne B.
Recent advances in diffusion Monte Carlo (DMC) are reviewed within the context of the vibrational motions of systems that undergo large amplitude motions. Specifically, the authors describe the DMC approach for obtaining the ground state wave function and zero-point energy (ZPE) of the system of interest, as well as extensions to the method for evaluating probability amplitudes, rotational constants, vibrationally excited states and methods for obtaining vibrational spectra. The discussion is framed in terms of the properties of several systems of current experimental and theoretical interest, specifically complexes of neon atoms with OH or SH, H3O2-, H5O2+, and CH5+. The results of the DMC simulations provide the information necessary to characterize the extent of delocalization of the probability amplitudes, even in the ground vibrational states. Methods for evaluating expectation values and vibrationally excited states are explored, and, when possible, the results are compared with those from other approaches. Finally, the methods for evaluating intensities are described and existing and future challenges for the approach are reviewed.
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
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
2015-01-01
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
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. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.
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)
Schwinger, Sabrina; Dohmen, Ralf; Schertl, Hans-Peter
2016-10-01
Carbonaceous chondrites are affected to different degrees by thermal and aqueous metamorphism on their parent bodies. However, the degree of alteration has been categorized mainly by relative scales and achieving quantitative information about metamorphic temperature by conventional mineral thermometry is problematic for low petrologic types. We have developed a general approach to estimate the metamorphic peak temperature experienced by type 3 chondrites from diffusion zoning in minerals, and have applied this approach to olivine in type I and type II chondrules of CO3 chondrites. To obtain metamorphic temperatures from diffusion zoning, we have combined diffusion modeling with thermal modeling of the meteorite parent body. The integrated diffusion coefficient over time (Γ) was identified as a useful parameter to quantify the extent of chemical change by diffusion occurring in a mineral during a given thermal history. Knowing the temperature dependence of the diffusion coefficient, Γ values can be calculated for each thermal history and be compared to the Γ values obtained from diffusion modeling. For thermal histories realistic for the parent body, Γ depends primarily on the metamorphic peak temperature, so that Γ values determined from diffusion profiles in meteorite minerals can be directly related to the metamorphic peak temperature. This general approach is relatively insensitive to uncertainties in the input parameters for the thermal model. We found that chemical zoning in type I and type II chondrule olivine of the CO chondrites Kainsaz and Lancé was largely influenced by solid state diffusion, which is evident from the observed correlation of zoning anisotropy with the crystallographic orientation. Chemical zoning in type II chondrule olivine is mainly igneous for CO chondrites of petrologic types up to at least 3.2 (Kainsaz) and was influenced only minor by diffusion during parent body metamorphism. Fe-Mg zoning in type II chondrule olivine and
Evidence-based approaches to dissemination and diffusion of physical activity interventions.
Owen, Neville; Glanz, Karen; Sallis, James F; Kelder, Steven H
2006-10-01
With the increasing availability of effective, evidence-based physical activity interventions, widespread diffusion is needed. We examine conceptual foundations for research on dissemination and diffusion of physical activity interventions; describe two school-based program examples; review examples of dissemination and diffusion research on other health behaviors; and examine policies that may accelerate the diffusion process. Lack of dissemination and diffusion evaluation research and policy advocacy is one of the factors limiting the impact of evidence-based physical activity interventions on public health. There is the need to collaborate with policy experts from other fields to improve the interdisciplinary science base for dissemination and diffusion. The promise of widespread adoption of evidence-based physical activity interventions to improve public health is sufficient to justify devotion of substantial resources to the relevant research on dissemination and diffusion.
Cooper, Samuel J; Niania, Mathew; Hoffmann, Franca; Kilner, John A
2017-05-17
A novel two-step Isotopic Exchange (IE) technique has been developed to investigate the influence of oxygen containing components of ambient air (such as H2O and CO2) on the effective surface exchange coefficient (k*) of a common mixed ionic electronic conductor material. The two step 'back-exchange' technique was used to introduce a tracer diffusion profile, which was subsequently measured using Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). The isotopic fraction of oxygen in a dense sample as a function of distance from the surface, before and after the second exchange step, could then be used to determine the surface exchange coefficient in each atmosphere. A new analytical solution was found to the diffusion equation in a semi-infinite domain with a variable surface exchange boundary, for the special case where D* and k* are constant for all exchange steps. This solution validated the results of a numerical, Crank-Nicolson type finite-difference simulation, which was used to extract the parameters from the experimental data. When modelling electrodes, D* and k* are important input parameters, which significantly impact performance. In this study La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF6428) was investigated and it was found that the rate of exchange was increased by around 250% in ambient air compared to high purity oxygen at the same pO2. The three experiments performed in this study were used to validate the back-exchange approach and show its utility.
Tumor growth in complex, evolving microenvironmental geometries: A diffuse domain approach
Chen, Ying; Lowengrub, John S.
2014-01-01
We develop a mathematical model of tumor growth in complex, dynamic microenvironments with active, deformable membranes. Using a diffuse domain approach, the complex domain is captured implicitly using an auxiliary function and the governing equations are appropriately modified, extended and solved in a larger, regular domain. The diffuse domain method enables us to develop an efficient numerical implementation that does not depend on the space dimension or the microenvironmental geometry. We model homotypic cell-cell adhesion and heterotypic cell-basement membrane (BM) adhesion with the latter being implemented via a membrane energy that models cell-BM interactions. We incorporate simple models of elastic forces and the degradation of the BM and ECM by tumor-secreted matrix degrading enzymes. We investigate tumor progression and BM response as a function of cell-BM adhesion and the stiffness of the BM. We find tumor sizes tend to be positively correlated with cell-BM adhesion since increasing cell-BM adhesion results in thinner, more elongated tumors. Prior to invasion of the tumor into the stroma, we find a negative correlation between tumor size and BM stiffness as the elastic restoring forces tend to inhibit tumor growth. In order to model tumor invasion of the stroma, we find it necessary to downregulate cell-BM adhesiveness, which is consistent with experimental observations. A stiff BM promotes invasiveness because at early stages the opening in the BM created by MDE degradation from tumor cells tends to be narrower when the BM is stiffer. This requires invading cells to squeeze through the narrow opening and thus promotes fragmentation that then leads to enhanced growth and invasion. In three dimensions, the opening in the BM was found to increase in size even when the BM is stiff because of pressure induced by growing tumor clusters. A larger opening in the BM can increase the potential for further invasiveness by increasing the possibility that additional
Fogtmann, Mads; Seshamani, Sharmishtaa; Kroenke, Christopher; Xi Cheng; Chapman, Teresa; Wilm, Jakob; Rousseau, Francois; Studholme, Colin
2014-02-01
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 3D 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 an experiment using synthetic motion added to sedated fetal monkey dataset show a significant improvement in motion-trajectory estimation compared to current 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.
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
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.
Olson, Gordon Lee
2016-12-06
Here, gray and multigroup radiation is transported through 3D media consisting of spheres randomly placed in a uniform background. Comparisons are made between using constant radii spheres and three different distributions of sphere radii. Because of the computational cost of 3D calculations, only the lowest angle order, n=1, is tested. If the mean chord length is held constant, using different radii distributions makes little difference. This is true for both gray and multigroup solutions. 3D transport solutions are compared to 2D and 1D solutions with the same mean chord lengths. 2D disk and 3D sphere media give solutions that aremore » nearly identical while 1D slab solutions are fundamentally different.« less
Olson, Gordon Lee
2016-12-06
Here, gray and multigroup radiation is transported through 3D media consisting of spheres randomly placed in a uniform background. Comparisons are made between using constant radii spheres and three different distributions of sphere radii. Because of the computational cost of 3D calculations, only the lowest angle order, n=1, is tested. If the mean chord length is held constant, using different radii distributions makes little difference. This is true for both gray and multigroup solutions. 3D transport solutions are compared to 2D and 1D solutions with the same mean chord lengths. 2D disk and 3D sphere media give solutions that are nearly identical while 1D slab solutions are fundamentally different.
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 Astrophysics Data System (ADS)
Olson, Gordon L.
2017-03-01
Gray and multigroup radiation is transported through 3D media consisting of spheres randomly placed in a uniform background. Comparisons are made between using constant radii spheres and three different distributions of sphere radii. Because of the computational cost of 3D calculations, only the lowest angle order, n=1, is tested. If the mean chord length is held constant, using different radii distributions makes little difference. This is true for both gray and multigroup solutions. 3D transport solutions are compared to 2D and 1D solutions with the same mean chord lengths. 2D disk and 3D sphere media give solutions that are nearly identical while 1D slab solutions are fundamentally different.
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.
Cartesian Meshing Impacts for PWR Assemblies in Multigroup Monte Carlo and Sn Transport
NASA Astrophysics Data System (ADS)
Manalo, K.; Chin, M.; Sjoden, G.
2014-06-01
Hybrid methods of neutron transport have increased greatly in use, for example, in applications of using both Monte Carlo and deterministic transport to calculate quantities of interest, such as flux and eigenvalue in a nuclear reactor. Many 3D parallel Sn codes apply a Cartesian mesh, and thus for nuclear reactors the representation of curved fuels (cylinder, sphere, etc.) are impacted in the representation of proper fuel inventory (both in deviation of mass and exact geometry representation). For a PWR assembly eigenvalue problem, we explore the errors associated with this Cartesian discrete mesh representation, and perform an analysis to calculate a slope parameter that relates the pcm to the percent areal/volumetric deviation (areal corresponds to 2D and volumetric to 3D, respectively). Our initial analysis demonstrates a linear relationship between pcm change and areal/volumetric deviation using Multigroup MCNP on a PWR assembly compared to a reference exact combinatorial MCNP geometry calculation. For the same multigroup problems, we also intend to characterize this linear relationship in discrete ordinates (3D PENTRAN) and discuss issues related to transport cross-comparison. In addition, we discuss auto-conversion techniques with our 3D Cartesian mesh generation tools to allow for full generation of MCNP5 inputs (Cartesian mesh and Multigroup XS) from a basis PENTRAN Sn model.
Comparison of Monte Carlo methods for criticality benchmarks: Pointwise compared to multigroup
Choi, J.S.; Alesso, P.H.; Pearson, J.S. )
1989-01-01
Transport codes use multigroup cross sections where neutrons are divided into broad energy groups, and the monoenergetic equation is solved for each group with a group-averaged cross section. Monte Carlo codes differ in that they allow the use of the most basic pointwise cross-section data directly in a calculation. Most of the first Monte Carlo codes were not able to utilize this feature, however, because of the memory limitations of early computers and the lack of pointwise cross-section data. Consequently, codes written in 1970s, such as KENO-IV and MORSE-C, were adapted to use multigroup cross-section sets similar to those used in the S{sub n} transport codes. With advances in computer memory capacities and the availability of pointwise cross-section sets, new Monte Carlo codes employing pointwise cross-section libraries, such as the Los Alamos National Laboratory code MCNP and the Lawrence Livermore National Laboratory (LLNL) code COG were developed for criticality, as well as radiation transport calculations. To compare pointwise and multigroup Monte Carlo methods for criticality benchmark calculations, this paper presents and evaluated the results from the KENO-IV, MORSE-C, MCNP, and COG codes. The critical experiments selected for benchmarking include LLNL fast metal systems and low-enriched uranium moderated and reflected systems.
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
Salinas, Harry M; Fernández, Delia Cabrera
2007-06-01
A comparison between two nonlinear diffusion methods for denoising OCT images is performed. Specifically, we compare and contrast the performance of the traditional nonlinear Perona-Malik filter with a complex diffusion filter that has been recently introduced by Gilboa et al.. The complex diffusion approach based on the generalization of the nonlinear scale space to the complex domain by combining the diffusion and the free Schridinger equation is evaluated on synthetic images and also on representative OCT images at various noise levels. The performance improvement over the traditional nonlinear Perona-Malik filter is quantified in terms of noise suppression, image structural preservation and visual quality. An average signal-to-noise ratio (SNR) improvement of about 2.5 times and an average contrast to noise ratio (CNR) improvement of 49% was obtained while mean structure similarity (MSSIM) was practically not degraded after denoising. The nonlinear complex diffusion filtering can be applied with success to many OCT imaging applications. In summary, the numerical values of the image quality metrics along with the qualitative analysis results indicated the good feature preservation performance of the complex diffusion process, as desired for better diagnosis in medical imaging processing.
Morgera, Elisa
2015-01-01
No systematic study discusses the evolution of fair and equitable benefit‐sharing across various areas of international law (environment, human rights, oceans), as well as at different levels of regulation (regional and national laws and guidelines, private law contracts, transboundary codes of conduct, customary laws of indigenous peoples and local communities). This article explores the usefulness of an interdisciplinary approach to the study of norm diffusion for understanding how and why fair and equitable benefit‐sharing is articulated in different sites. The article discusses mechanisms, actors and frames in norm diffusion, drawing on literature from sociology, international relations and law. The article uncovers underlying similarities in scholarship on norm diffusion across the disciplines considered. It also reflects on the value of an interdisciplinary approach that encourages legal scholars to consider the implications of power structures in the diffusion of law, while the nuances of legal knowledge may lead other social scientists to revisit accepted findings on norm diffusion. These findings appear particularly useful for informing an assessment of the potential of fair and equitable benefit‐sharing to promote the conservation and sustainable use of natural resources in a fair and equitable manner in the face of power asymmetries. PMID:28018594
Parks, Louisa; Morgera, Elisa
2015-11-01
No systematic study discusses the evolution of fair and equitable benefit-sharing across various areas of international law (environment, human rights, oceans), as well as at different levels of regulation (regional and national laws and guidelines, private law contracts, transboundary codes of conduct, customary laws of indigenous peoples and local communities). This article explores the usefulness of an interdisciplinary approach to the study of norm diffusion for understanding how and why fair and equitable benefit-sharing is articulated in different sites. The article discusses mechanisms, actors and frames in norm diffusion, drawing on literature from sociology, international relations and law. The article uncovers underlying similarities in scholarship on norm diffusion across the disciplines considered. It also reflects on the value of an interdisciplinary approach that encourages legal scholars to consider the implications of power structures in the diffusion of law, while the nuances of legal knowledge may lead other social scientists to revisit accepted findings on norm diffusion. These findings appear particularly useful for informing an assessment of the potential of fair and equitable benefit-sharing to promote the conservation and sustainable use of natural resources in a fair and equitable manner in the face of power asymmetries.
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.
Neutrino diffusion in the pasta phase matter within the Thomas-Fermi approach
NASA Astrophysics Data System (ADS)
Furtado, U. J.; Avancini, S. S.; Marinelli, J. R.; Martarello, W.; Providência, C.
2016-09-01
The behaviour and properties of neutrinos in non-uniform nuclear matter, surrounded by electrons and other neutrinos are studied in the protoneutron star early stage characterized by trapped neutrinos. The nuclear matter itself is modelled by a relativistic mean-field approach, and models with both constant couplings and density-dependent couplings are considered. The so-called nuclear pasta phases at sub-saturation densities, described using the Thomas-Fermi approximation and solved in a Wigner-Seitz cell, are included in the calculation. We obtain the neutrino total cross section and mean free path, taking into account scattering and absorption processes and we compare the final results obtained with different parametrizations. The solution for this problem is important for the understanding of neutrino diffusion in a newly born neutron star after a supernovae explosion. It is shown that the pasta phase will increase the neutrino mean free path by as much as an order of magnitude, therefore contributing for shorter emission time-scales.
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.
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.
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
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.
NASA Astrophysics Data System (ADS)
Rothfischer, Ramona; Grosenick, Dirk; Macdonald, Rainer
2015-07-01
We discuss the determination of optical properties of thick scattering media from measurements of time-resolved transmittance by diffusion theory using Monte Carlo simulations as a gold standard to model photon migration. Our theoretical and experimental investigations reveal differences between calculated distributions of times of flight (DTOFs) of photons from both models which result in an overestimation of the absorption and the reduced scattering coefficient by diffusion theory which becomes larger for small scattering coefficients. By introducing a temporal shift in the DTOFs obtained with the diffusion model as additional fit parameter, the deviation in the absorption coefficient can be compensated almost completely. If the scattering medium is additionally covered by transparent layers (e.g. glass plates) the deviation between the DTOFs from both models is even larger which mainly effects the determination of the reduced scattering coefficient by diffusion theory. A temporal shift improves the accuracy of the optical properties derived by diffusion theory in this case as well.
Rodriguez, Luis; Cárdenas-García, Jaime F; Vera, César Costa
2014-06-15
A frequency-resolved thermal lensing (TL) approach to measure thermal diffusivity properties of both diluted liquid solutions and silver nanoparticle colloidal suspensions is demonstrated. The experiment is based on a classical two-color pump-probe TL configuration, which is adapted to measure the induced TL signal as a function of the chopping frequency of the pump beam. Because of the thermal diffusivity lengths in the samples, the TL signal decreases exponentially with the increment of the frequency. The exponential decay factor can be associated with the thermal diffusivity of the medium. Measurements are performed on diluted liquid solutions and silver nanoparticles suspended in a PVP solution. A suitable fitting to a theoretical model based on the Fresnel diffraction approximation of the experimental data is obtained. This work demonstrates the feasibility of using this approach for the thermal characterization of nanoparticles in liquid solutions. Thermal diffusivity as low as 0.094×10(-7) m2 s(-1) can be estimated by using this approach.
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
NASA Astrophysics Data System (ADS)
Koo, Peter K.; Mochrie, Simon G. J.
2016-11-01
The stochastic motions of a diffusing particle contain information concerning the particle's interactions with binding partners and with its local environment. However, an accurate determination of the underlying diffusive properties, beyond normal diffusion, has remained challenging when analyzing particle trajectories on an individual basis. Here, we introduce the maximum-likelihood estimator (MLE) for confined diffusion and fractional Brownian motion. We demonstrate that this MLE yields improved estimation over traditional mean-square displacement analyses. We also introduce a model selection scheme (that we call mleBIC) that classifies individual trajectories to a given diffusion mode. We demonstrate the statistical limitations of classification via mleBIC using simulated data. To overcome these limitations, we introduce a version of perturbation expectation-maximization (pEMv2), which simultaneously analyzes a collection of particle trajectories to uncover the system of interactions that give rise to unique normal and/or non-normal diffusive states within the population. We test and evaluate the performance of pEMv2 on various sets of simulated particle trajectories, which transition among several modes of normal and non-normal diffusion, highlighting the key considerations for employing this analysis methodology.
(*) A 3D Tissue-Printing Approach for Validation of Diffusion Tensor Imaging in Skeletal Muscle.
Berry, David B; You, Shangting; Warner, John; Frank, Lawrence R; Chen, Shaochen; Ward, Samuel R
2017-09-01
The ability to noninvasively assess skeletal muscle microstructure, which predicts function and disease, would be of significant clinical value. One method that holds this promise is diffusion tensor magnetic resonance imaging (DT-MRI), which is sensitive to the microscopic diffusion of water within tissues and has become ubiquitous in neuroimaging as a way of assessing neuronal structure and damage. However, its application to the assessment of changes in muscle microstructure associated with injury, pathology, or age remains poorly defined, because it is difficult to precisely control muscle microstructural features in vivo. However, recent advances in additive manufacturing technologies allow precision-engineered diffusion phantoms with histology informed skeletal muscle geometry to be manufactured. Therefore, the goal of this study was to develop skeletal muscle phantoms at relevant size scales to relate microstructural features to MRI-based diffusion measurements. A digital light projection based rapid 3D printing method was used to fabricate polyethylene glycol diacrylate based diffusion phantoms with (1) idealized muscle geometry (no geometry; fiber sizes of 30, 50, or 70 μm or fiber size of 50 μm with 40% of walls randomly deleted) or (2) histology-based geometry (normal and after 30-days of denervation) containing 20% or 50% phosphate-buffered saline (PBS). Mean absolute percent error (8%) of the printed phantoms indicated high conformity to templates when "fibers" were >50 μm. A multiple spin-echo echo planar imaging diffusion sequence, capable of acquiring diffusion weighted data at several echo times, was used in an attempt to combine relaxometry and diffusion techniques with the goal of separating intracellular and extracellular diffusion signals. When fiber size increased (30-70 μm) in the 20% PBS phantom, fractional anisotropy (FA) decreased (0.32-0.26) and mean diffusivity (MD) increased (0.44 × 10(-3) mm(2)/s-0.70 × 10(-3) mm
Flame Design: A Novel Approach Developed to Produce Clean, Efficient Diffusion Flames
NASA Technical Reports Server (NTRS)
Axelbaum, Richard L.; Urban, David L.; Sunderland, Peter B.; Chao, Beei-Huan
2000-01-01
Soot formation and flame extinction are vital concerns in the combustion of fossil fuels. In particular, soot is responsible for pollutant emissions, and extinction can cause inefficient or unstable burning. Normal-gravity experiments have demonstrated that flames can be designed to improve both characteristics by redirecting some or all of the nitrogen from the oxidizer into the fuel. Such nitrogen exchange can produce permanently blue flames, which are soot free under all possible flame conditions. Furthermore, this approach can lead to stronger, extinction-resistant flames. Past investigations of nitrogen exchange were unable to identify the physical mechanisms responsible for its benefits because these mechanisms cannot be isolated when normal-gravity flames are studied. In contrast, the Diffusion Flame Extinction and Soot Inception (DESI) experiment considers spherical flames, where nearly perfect spherical symmetry affords new levels of control. Because of buoyancy, spherical flames cannot be created in Earth s gravity. DESI was conceived by principal investigator Professor R.L. Axelbaum of Washington University in St. Louis. Tests to date have utilized the 2.2-Second Drop Tower at the NASA Glenn Research Center at Lewis Field. The experiment is slated for testing aboard the International Space Station in a few years. Two mechanisms have been proposed to explain the connection between nitrogen exchange and permanently blue flames. These are the structure (chemical effects) and hydrodynamics (flow direction and speed). In normal-gravity flames, the structure and hydrodynamics are coupled, since nitrogen exchange simultaneously modifies both. Spherical microgravity flames, on the other hand, allow independent control of these factors. Specifically, structure can be modified via nitrogen exchange, and flow direction can be reversed by swapping the ambient and burner-feed gases. In DESI, these variations can be accomplished without changing the theoretical flame
Tominaga, Nozomu; Shibata, Sanshiro; Blinnikov, Sergei I. E-mail: sshibata@post.kek.jp
2015-08-15
We develop a time-dependent, multi-group, multi-dimensional relativistic radiative transfer code, which is required to numerically investigate radiation from relativistic fluids that are involved in, e.g., gamma-ray bursts and active galactic nuclei. The code is based on the spherical harmonic discrete ordinate method (SHDOM) which evaluates a source function including anisotropic scattering in spherical harmonics and implicitly solves the static radiative transfer equation with ray tracing in discrete ordinates. We implement treatments of time dependence, multi-frequency bins, Lorentz transformation, and elastic Thomson and inelastic Compton scattering to the publicly available SHDOM code. Our code adopts a mixed-frame approach; the source function is evaluated in the comoving frame, whereas the radiative transfer equation is solved in the laboratory frame. This implementation is validated using various test problems and comparisons with the results from a relativistic Monte Carlo code. These validations confirm that the code correctly calculates the intensity and its evolution in the computational domain. The code enables us to obtain an Eddington tensor that relates the first and third moments of intensity (energy density and radiation pressure) and is frequently used as a closure relation in radiation hydrodynamics calculations.
Du, Gang; Jiang, Zhibin; Diao, Xiaodi; Yao, Yang
2012-04-01
Although the clinical pathway (CP) predefines predictable standardized care process for a particular diagnosis or procedure, many variances may still unavoidably occur. Some key index parameters have strong relationship with variances handling measures of CP. In real world, these problems are highly nonlinear in nature so that it's hard to develop a comprehensive mathematic model. In this paper, a rule extraction approach based on combing hybrid genetic double multi-group cooperative particle swarm optimization algorithm (PSO) and discrete PSO algorithm (named HGDMCPSO/DPSO) is developed to discovery the previously unknown and potentially complicated nonlinear relationship between key parameters and variances handling measures of CP. Then these extracted rules can provide abnormal variances handling warning for medical professionals. Three numerical experiments on Iris of UCI data sets, Wisconsin breast cancer data sets and CP variances data sets of osteosarcoma preoperative chemotherapy are used to validate the proposed method. When compared with the previous researches, the proposed rule extraction algorithm can obtain the high prediction accuracy, less computing time, more stability and easily comprehended by users, thus it is an effective knowledge extraction tool for CP variances handling.
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.
Frazier, Zachary
2012-01-01
Abstract Particle-based Brownian dynamics simulations offer the opportunity to not only simulate diffusion of particles but also the reactions between them. They therefore provide an opportunity to integrate varied biological data into spatially explicit models of biological processes, such as signal transduction or mitosis. However, particle based reaction-diffusion methods often are hampered by the relatively small time step needed for accurate description of the reaction-diffusion framework. Such small time steps often prevent simulation times that are relevant for biological processes. It is therefore of great importance to develop reaction-diffusion methods that tolerate larger time steps while maintaining relatively high accuracy. Here, we provide an algorithm, which detects potential particle collisions prior to a BD-based particle displacement and at the same time rigorously obeys the detailed balance rule of equilibrium reactions. We can show that for reaction-diffusion processes of particles mimicking proteins, the method can increase the typical BD time step by an order of magnitude while maintaining similar accuracy in the reaction diffusion modelling. PMID:22697237
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
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.
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.
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)
Sanghi, T.; Aluru, N. R.
2013-03-01
In this work, we combine our earlier proposed empirical potential based quasi-continuum theory, (EQT) [A. V. Raghunathan, J. H. Park, and N. R. Aluru, J. Chem. Phys. 127, 174701 (2007), 10.1063/1.2793070], which is a coarse-grained multiscale framework to predict the static structure of confined fluids, with a phenomenological Langevin equation to simulate the dynamics of confined fluids in thermal equilibrium. An attractive feature of this approach is that all the input parameters to the Langevin equation (mean force profile of the confined fluid and the static friction coefficient) can be determined using the outputs of the EQT and the self-diffusivity data of the corresponding bulk fluid. The potential of mean force profile, which is a direct output from EQT is used to compute the mean force profile of the confined fluid. The density profile, which is also a direct output from EQT, along with the self-diffusivity data of the bulk fluid is used to determine the static friction coefficient of the confined fluid. We use this approach to compute the mean square displacement and survival probabilities of some important fluids such as carbon-dioxide, water, and Lennard-Jones argon confined inside slit pores. The predictions from the model are compared with those obtained using molecular dynamics simulations. This approach of combining EQT with a phenomenological Langevin equation provides a mathematically simple and computationally efficient means to study the impact of structural inhomogeneity on the self-diffusion dynamics of confined fluids.
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)
Dean, David S.; Oshanin, Gleb
2014-08-01
A Langevin process describing diffusion in a periodic potential landscape has a time-dependent diffusion constant, which means that its average mean-squared displacement (MSD) only becomes linear at late times. The long-time, or effective diffusion, constant can be estimated from the slope of a linear fit of the MSD at late times. Due to the crossover between a short time microscopic diffusion constant, which is independent of the potential, to the effective late-time diffusion constant, a linear fit of the MSD will not in general pass through the origin and will have a nonzero constant term. Here we address how to compute the constant term and provide explicit results for Brownian particles in one dimension in periodic potentials. We show that the constant is always positive and that at low temperatures it depends on the curvature of the minimum of the potential. For comparison we also consider the same question for the simpler problem of a symmetric continuous time random walk in discrete space. Here the constant can be positive or negative and can be used to determine the variance of the hopping time distribution.
Optimal diffusion MRI acquisition for fiber orientation density estimation: an analytic approach.
White, Nathan S; Dale, Anders M
2009-11-01
An important challenge in the design of diffusion MRI experiments is how to optimize statistical efficiency, i.e., the accuracy with which parameters can be estimated from the diffusion data in a given amount of imaging time. In model-based spherical deconvolution analysis, the quantity of interest is the fiber orientation density (FOD). Here, we demonstrate how the spherical harmonics (SH) can be used to form an explicit analytic expression for the efficiency of the minimum variance (maximally efficient) linear unbiased estimator of the FOD. Using this expression, we calculate optimal b-values for maximum FOD estimation efficiency with SH expansion orders of L = 2, 4, 6, and 8 to be approximately b = 1,500, 3,000, 4,600, and 6,200 s/mm(2), respectively. However, the arrangement of diffusion directions and scanner-specific hardware limitations also play a role in determining the realizable efficiency of the FOD estimator that can be achieved in practice. We show how some commonly used methods for selecting diffusion directions are sometimes inefficient, and propose a new method for selecting diffusion directions in MRI based on maximizing the statistical efficiency. We further demonstrate how scanner-specific hardware limitations generally lead to optimal b-values that are slightly lower than the ideal b-values. In summary, the analytic expression for the statistical efficiency of the unbiased FOD estimator provides important insight into the fundamental tradeoff between angular resolution, b-value, and FOD estimation accuracy.
Asymptotic behavior of stochastic multi-group epidemic models with distributed delays
NASA Astrophysics Data System (ADS)
Liu, Qun; Jiang, Daqing; Shi, Ningzhong; Hayat, Tasawar; Alsaedi, Ahmed
2017-02-01
In this paper, we introduce stochasticity into multi-group epidemic models with distributed delays and general kernel functions. The stochasticity in the model is a standard technique in stochastic population modeling. When the perturbations are small, by using the method of stochastic Lyapunov functions, we carry out a detailed analysis on the asymptotic behavior of the stochastic model regarding of the basic reproduction number R0. If R0 ≤ 1, the solution of the stochastic system oscillates around the disease-free equilibrium E0, while if R0 > 1, the solution of the stochastic model fluctuates around the endemic equilibrium E∗. Moreover, we also establish sufficient conditions of these results.
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.
Supernova Shock Breakout Light Curves and Spectra from CASTRO Multigroup Radiation Simulations
NASA Astrophysics Data System (ADS)
Lovegrove, Elizabeth; Woosley, S. E.
2014-01-01
We present preliminary results from a study of supernova shock breakout with the new multigroup radiation transport version of the CASTRO simulation code. Shock breakout occurs when the outgoing shockwave of a supernova explosion reaches the surface of the progenitor star and produces a bright flash. The breakout flash's spectral temperature, duration, and luminosity carry information about the progenitor star that may otherwise be very difficult to recover. To aid in detection and understanding of this phenomenon, we present integrated light curves and spectra of breakouts from a range of progenitors and explosions, including very low energy supernovae and pair-instability supernovae.
Xu, Jinhu; Zhou, Yicang
2015-10-01
A multi-group epidemic model with distributed delay and vaccination age has been formulated and studied. Mathematical analysis shows that the global dynamics of the model is determined by the basic reproduction number R0: the disease-free equilibrium is globally asymptotically stable if R0 ≤ 1, and the endemic equilibrium is globally asymptotically stable if R0 > 1. Lyapunov functionals are constructed by the non-negative matrix theory and a novel grouping technique to establish the global stability. The stochastic perturbation of the model is studied and it is proved that the endemic equilibrium of the stochastic model is stochastically asymptotically stable in the large under certain conditions.
An economic approach to reducing water pollution: point and diffuse sources.
O'Shea, Lucy
2002-01-23
A review of economic policy towards pollution control is presented which shows that appropriate measures will depend on whether the pollution is of a point or a diffuse nature. Regulation of the former is comparatively straightforward, with command and control and market instruments the tools of pollution control. The advantages and disadvantages of each measure are outlined. However, the inability to monitor emissions at source, precludes the application of point source measures in the case of diffuse source pollution. Instead, methods are required which overcome the need for direct monitoring. Several suggestions that propose ways of achieving this have been put forward and these are described. It is concluded that appropriate measures depend on the particular features of the problem and it is not possible to offer a blanket solution to either point sources or diffuse pollution.
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
2015-06-11
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.
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.
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
2012-01-01
Background Body weight is at least partly controlled by the choices made by a human in response to external stimuli. Changes in body weight are mainly caused by energy intake. By analyzing the mechanisms involved in food intake, we considered that molecular diffusion plays an important role in body weight changes. We propose a model based on Fick's second law of diffusion to simulate the relationship between energy intake and body weight. Results This model was applied to food intake and body weight data recorded in humans; the model showed a good fit to the experimental data. This model was also effective in predicting future body weight. Conclusions In conclusion, this model based on molecular diffusion provides a new insight into the body weight mechanisms. Reviewers This article was reviewed by Dr. Cabral Balreira (nominated by Dr. Peter Olofsson), Prof. Yang Kuang and Dr. Chao Chen. PMID:22742862
NASA Astrophysics Data System (ADS)
Fourno, A.; Grenier, C.; Benabderrahmane, H.
2003-04-01
Modeling flow and transport in natural fractured media is a difficult issue due among others to the complexity of the system, the particularities of the geometrical features, the strong parameter value contrasts between the fracture zones (flow zones) and the matrix zones (no flow zones). This lead to the development of dedicated tools like for instance discrete fracture network models (DFN). We follow here another line applicable for classical continuous modeling codes. The fracture network is not meshed here but presence of fractures is taken into account by means of continuous heterogeneous fields (permeability, porosity, head, velocity, concentration ...). This line, followed by different authors, is referred as smeared fracture approach and presents the following advantages: the approach is very versatile because no dedicated spatial discretization effort is required (we use a basic regular mesh, simulations can be done on a rough mesh saving computer time). This makes this kind of approach very promising for taking heterogeneity of properties as well as uncertainties into account within a Monte Carlo framework for instance. Furthermore, the geometry of the matrix blocks where transfers proceed by diffusion is fully taken into account contrary to classical simplified 1D approach for instance. Nevertheless continuous heterogeneous field representation of a fractured medium requires a homogenization process at the scale of the mesh considered. Literature proves that this step of homogenization for transport is still a challenging task. Consequently, the level precision of the results has to be estimated. We precedently proposed a new approach dedicated to Mixed and Hybrid Finite Element approach. This numerical scheme is very interesting for such highly heterogeneous media and in particular guaranties exact conservation of mass flow for each mesh leading to good transport results. We developed a smeared fractures approach to model flow and transport limited to
Ye, Chuyang; Murano, Emi; Stone, Maureen; Prince, Jerry L.
2015-01-01
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 inter-digitated tongue muscles with limited gradient directions. The distributions of the
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
Diffuse hair loss in an adult female: approach to diagnosis and management.
Shrivastava, Shyam Behari
2009-01-01
Telogen effluvium (TE) is the most common cause of diffuse hair loss in adult females. TE, along with female pattern hair loss (FPHL) and chronic telogen effluvium (CTE), accounts for the majority of diffuse alopecia cases. Abrupt, rapid, generalized shedding of normal club hairs, 2-3 months after a triggering event like parturition, high fever, major surgery, etc. indicates TE, while gradual diffuse hair loss with thinning of central scalp/widening of central parting line/frontotemporal recession indicates FPHL. Excessive, alarming diffuse shedding coming from a normal looking head with plenty of hairs and without an obvious cause is the hallmark of CTE, which is a distinct entity different from TE and FPHL. Apart from complete blood count and routine urine examination, levels of serum ferritin and T3, T4, and TSH should be checked in all cases of diffuse hair loss without a discernable cause, as iron deficiency and thyroid hormone disorders are the two common conditions often associated with diffuse hair loss, and most of the time, there are no apparent clinical features to suggest them. CTE is often confused with FPHL and can be reliably differentiated from it through biopsy which shows a normal histology in CTE and miniaturization with significant reduction of terminal to vellus hair ratio (T:V < 4:1) in FPHL. Repeated assurance, support, and explanation that the condition represents excessive shedding and not the actual loss of hairs, and it does not lead to baldness, are the guiding principles toward management of TE as well as CTE. TE is self limited and resolves in 3-6 months if the trigger is removed or treated, while the prognosis of CTE is less certain and may take 3-10 years for spontaneous resolution. Topical minoxidil 2% with or without antiandrogens, finestride, hair prosthesis, hair cosmetics, and hair surgery are the therapeutically available options for FPHL management.
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.
NASA Astrophysics Data System (ADS)
Kan, Jia-Qian; Zhang, Hai-Feng
2017-03-01
In this paper, we study the interplay between the epidemic spreading and the diffusion of awareness in multiplex networks. In the model, an infectious disease can spread in one network representing the paths of epidemic spreading (contact network), leading to the diffusion of awareness in the other network (information network), and then the diffusion of awareness will cause individuals to take social distances, which in turn affects the epidemic spreading. As for the diffusion of awareness, we assume that, on the one hand, individuals can be informed by other aware neighbors in information network, on the other hand, the susceptible individuals can be self-awareness induced by the infected neighbors in the contact networks (local information) or mass media (global information). Through Markov chain approach and numerical computations, we find that the density of infected individuals and the epidemic threshold can be affected by the structures of the two networks and the effective transmission rate of the awareness. However, we prove that though the introduction of the self-awareness can lower the density of infection, which cannot increase the epidemic threshold no matter of the local information or global information. Our finding is remarkably different to many previous results on single-layer network: local information based behavioral response can alter the epidemic threshold. Furthermore, our results indicate that the nodes with more neighbors (hub nodes) in information networks are easier to be informed, as a result, their risk of infection in contact networks can be effectively reduced.
Joffe, I V; Lesnoy, V V
2016-01-01
The results of treatment of 33 patients, suffering diffuse peritonitis, with postoperatively applied tactics of the programmed surgical sanation of abdominal cavity were analyzed. Indications for relaparotomy were established, based on the estimation scale for the enteral insufficiency severity. The patients death and the complications causes were analyzed, depending on terms and rates of relaparotomy conduction.
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…
Heat flux and diffusion velocities behind shock wave: state-to-state approach
NASA Astrophysics Data System (ADS)
Kunova, O.; Kustova, E.; Mekhonoshina, M.; Nagnibeda, E.
2017-06-01
The influence of vibrational populations and dissociation-recombination reactions on the heat and mass transfer in the relaxation zone behind shock waves is studied. The contribution of various processes and in§uence of different initial conditions on diffusion velocities and total energy §ux in the flows of shock heated air components is estimated.
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…
A stable 1D multigroup high-order low-order method
Yee, Ben Chung; Wollaber, Allan Benton; Haut, Terry Scot; ...
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
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.) 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.
Schnettler, Berta; Miranda, Horacio; Miranda-Zapata, Edgardo; Salinas-Oñate, Natalia; Grunert, Klaus G; Lobos, Germán; Sepúlveda, José; Orellana, Ligia; Hueche, Clementina; Bonilla, Héctor
2017-06-01
This study examined longitudinal measurement invariance in the Satisfaction with Food-related Life (SWFL) scale using follow-up data from university students. We examined this measure of the SWFL in different groups of students, separated by various characteristics. Through non-probabilistic longitudinal sampling, 114 university students (65.8% female, mean age: 22.5) completed the SWFL questionnaire three times, over intervals of approximately one year. Confirmatory factor analysis was used to examine longitudinal measurement invariance. Two types of analysis were conducted: first, a longitudinal invariance by time, and second, a multigroup longitudinal invariance by sex, age, socio-economic status and place of residence during the study period. Results showed that the 3-item version of the SWFL exhibited strong longitudinal invariance (equal factor loadings and equal indicator intercepts). Longitudinal multigroup invariance analysis also showed that the 3-item version of the SWFL displays strong invariance by socio-economic status and place of residence during the study period over time. Nevertheless, it was only possible to demonstrate equivalence of the longitudinal factor structure among students of both sexes, and among those older and younger than 22 years. Generally, these findings suggest that the SWFL scale has satisfactory psychometric properties for longitudinal measurement invariance in university students with similar characteristics as the students that participated in this research. It is also possible to suggest that satisfaction with food-related life is associated with sex and age. Copyright © 2017 Elsevier Ltd. All rights reserved.
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
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.
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.) 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.
NASA Astrophysics Data System (ADS)
Wellens, Thomas; Jalabert, Rodolfo A.
2016-10-01
We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and diffusion coefficient are calculated within different schemes of the self-consistent framework. The simplest of these schemes qualitatively reproduces previous phenomenological developments, while more elaborate calculations provide corrections that approach the values obtained in numerical simulations. The results are universal for zinc-blende semiconductors with electron conductance in the impurity band, and thus they are able to account for the measured spin-relaxation times of materials with very different physical parameters. From a general point of view, our theory opens a new perspective for describing the hopping dynamics in random quantum networks.
NASA Technical Reports Server (NTRS)
Srivastava, R.; Rosner, D. E.
1979-01-01
A rational approach to the correlation of boundary layer mass transport rates, applicable to many commonly encountered laminar flow conditions with thermal diffusion and/or variable properties, is outlined. The correlation scheme builds upon already available constant property blowing/suction solutions by introducing appropriate correction factors to account for the additional ('pseudo' blowing and source) effects identified with variable properties and thermal diffusion. Applications of the scheme to the particular laminar boundary layer mass transfer problems considered herein (alkali and transition metal compound vapor transport) indicates satisfactory accuracy up to effective blowing factors equivalent to about one third of the 'blow off' value. As a useful by-product of the variable property correlation, we extend the heat-mass transfer analogy, for a wide range of Lewis numbers, to include variable property effects.
NASA Technical Reports Server (NTRS)
Srivastava, R.; Rosner, D. E.
1979-01-01
A rational approach to the correlation of boundary layer mass transport rates, applicable to many commonly encountered laminar flow conditions with thermal diffusion and/or variable properties, is outlined. The correlation scheme builds upon already available constant property blowing/suction solutions by introducing appropriate correction factors to account for the additional ('pseudo' blowing and source) effects identified with variable properties and thermal diffusion. Applications of the scheme to the particular laminar boundary layer mass transfer problems considered herein (alkali and transition metal compound vapor transport) indicates satisfactory accuracy up to effective blowing factors equivalent to about one third of the 'blow off' value. As a useful by-product of the variable property correlation, we extend the heat-mass transfer analogy, for a wide range of Lewis numbers, to include variable property effects.
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.
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.
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
2010-05-01
not reflect the official policy or position of the Department of Defense or the U.S. Government. 13. SUPPLEMENTARY NOTES This paper investigates...group leaves the group to something as complicated as the effect of a natural disaster on a group’s cohesion. This paper focuses on the behavior...gossiper. The goal of this paper is to offer an alternative method of modeling this diffusion and provide some insight into why this alternative
Generalized monotone method and numerical approach for coupled reaction diffusion systems
NASA Astrophysics Data System (ADS)
Sowmya, M.; Vatsala, Aghalaya S.
2017-01-01
Study of coupled reaction diffusion systems are very useful in various branches of science and engineering. In this paper, we provide a methodology to construct the solution for the coupled reaction diffusion systems, with initial and boundary conditions, where the forcing function is the sum of an increasing and decreasing function. It is known that the generalized monotone method coupled with coupled lower and upper solutions yield monotone sequences which converges uniformly and monotonically to coupled minimal and maximal solutions. In addition, the interval of existence is guaranteed by the lower and upper solutions, which are relatively easy to compute. Using the lower and upper solutions as the initial approximation, we develop a method to compute the sequence of coupled lower and upper solutions on the interval or on the desired interval of existence. Further, if the uniqueness conditions are satisfied, the coupled minimal and maximal solutions converge to the unique solution of the reaction diffusion systems. We will provide some numerical results as an application of our numerical methodology.
While, Peter T
2017-03-31
To assess the performance of various least squares and Bayesian modeling approaches to parameter estimation in intravoxel incoherent motion (IVIM) modeling of diffusion-weighted MRI data. Simulated tissue models of different type (breast/liver) and morphology (discrete/continuous) were used to generate noisy data according to the IVIM model at several signal-to-noise ratios. IVIM parameter maps were generated using six different approaches, including full nonlinear least squares (LSQ), segmented least squares (SEG), Bayesian modeling with a Gaussian shrinkage prior (BSP) and Bayesian modeling with a spatial homogeneity prior (FBM), plus two modified approaches. Estimators were compared by calculating the median absolute percentage error and deviation, and median percentage bias. The Bayesian modeling approaches consistently outperformed the least squares approaches, with lower relative error and deviation, and provided cleaner parameter maps with reduced erroneous heterogeneity. However, a weakness of the Bayesian approaches was exposed, whereby certain tissue features disappeared completely in regions of high parameter uncertainty. Lower error and deviation were generally afforded by FBM compared with BSP, at the cost of higher bias. Bayesian modeling is capable of producing more visually pleasing IVIM parameter maps than least squares approaches, but their potential to mask certain tissue features demands caution during implementation. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.
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…
ERIC Educational Resources Information Center
Brown, Gavin T. L.; Harris, Lois R.; O'Quin, Chrissie; Lane, Kenneth E.
2017-01-01
Multi-group confirmatory factor analysis (MGCFA) allows researchers to determine whether a research inventory elicits similar response patterns across samples. If statistical equivalence in responding is found, then scale score comparisons become possible and samples can be said to be from the same population. This paper illustrates the use of…
Smith, L.A.; Gehin, J.C.; Worley, B.A.; Renier, J.P.
1994-04-01
The FOEHN critical experiments were analyzed to validate the use of multigroup cross sections in the design of the Advanced Neutron Source. Eleven critical configurations were evaluated using the KENO, DORT, and VENTURE neutronics codes. Eigenvalue and power density profiles were computed and show very good agreement with measured values.
ERIC Educational Resources Information Center
Brown, Gavin T. L.; Harris, Lois R.; O'Quin, Chrissie; Lane, Kenneth E.
2017-01-01
Multi-group confirmatory factor analysis (MGCFA) allows researchers to determine whether a research inventory elicits similar response patterns across samples. If statistical equivalence in responding is found, then scale score comparisons become possible and samples can be said to be from the same population. This paper illustrates the use of…
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
Koay, Cheng Guan; Hurley, Samuel A.; Meyerand, M. Elizabeth
2011-01-01
Purpose: Diffusion MRI measurements are typically acquired sequentially with unit gradient directions that are distributed uniformly on the unit sphere. The ordering of the gradient directions has significant effect on the quality of dMRI-derived quantities. Even though several methods have been proposed to generate optimal orderings of gradient directions, these methods are not widely used in clinical studies because of the two major problems. The first problem is that the existing methods for generating highly uniform and antipodally symmetric gradient directions are inefficient. The second problem is that the existing methods for generating optimal orderings of gradient directions are also highly inefficient. In this work, the authors propose two extremely efficient and deterministic methods to solve these two problems. Methods: The method for generating nearly uniform point set on the unit sphere (with antipodal symmetry) is based upon the notion that the spacing between two consecutive points on the same latitude should be equal to the spacing between two consecutive latitudes. The method for generating optimal ordering of diffusion gradient directions is based on the idea that each subset of incremental sample size, which is derived from the prescribed and full set of gradient directions, must be as uniform as possible in terms of the modified electrostatic energy designed for antipodally symmetric point set. Results: The proposed method outperformed the state-of-the-art method in terms of computational efficiency by about six orders of magnitude. Conclusions: Two extremely efficient and deterministic methods have been developed for solving the problem of optimal ordering of diffusion gradient directions. The proposed strategy is also applicable to optimal view-ordering in three-dimensional radial MRI. PMID:21928652
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)
Shuster, J. R.; Argall, M. R.; Torbert, R. B.; Chen, L.-J.; Farrugia, C. J.; Alm, L.; Wang, S.; Daughton, W.; Gershman, D. J.; Giles, B. L.; Russell, C. T.; Burch, J. L.; Pollock, C. J.
2017-02-01
We develop an algorithm that finds a trajectory through simulations of magnetic reconnection along which input Magnetospheric Multiscale (MMS) spacecraft observations are matched. Using two-dimensional particle-in-cell simulations of asymmetric reconnection, the method is applied to a magnetopause electron diffusion region (EDR) encountered by the MMS spacecraft to facilitate interpretation of the event based on fully kinetic models. The recently discovered crescent-shaped electron velocity distributions measured by MMS in the EDR are consistent with simulation distributions at the corresponding time along the computed trajectory.
NASA Astrophysics Data System (ADS)
Bajla, Ivan
1998-02-01
The major goal of this survey is to provide the reader with the motivation of image filtering and segmentation in diagnostic imaging, with the brief overview of the state-of- the-art of nonlinear filters based on the geometry-driven diffusion (GDD), and with a possible generalization of the GDD-filtering towards the complex problem of image segmentation, stated as minimization of particular energy functionals. An example of the application of the GDD- filtering to the task of 3D visualization of MRI data of the brain is illustrated and discussed in the paper.
MPI version of NJOY and its application to multigroup cross-section generation
Alpan, A.; Haghighat, A.
1999-07-01
Multigroup cross-section libraries are needed in performing neutronics calculations. These libraries are referred to as broad-group libraries. The number of energy groups and group structure are highly dependent on the application and/or user's objectives. For example, for shielding calculations, broad-group libraries such as SAILOR and BUGLE with 47-neutron and 20-gamma energy groups are used. The common procedure to obtain a broad-group library is a three-step process: (1) processing pointwise ENDF (PENDF) format cross sections; (2) generating fine-group cross sections; and (3) collapsing fine-group cross sections to broad-group. The NJOY code is used to prepare fine-group cross sections by processing pointwise ENDF data. The code has several modules, each one performing a specific task. For instance, the module RECONR performs linearization and reconstruction of the cross sections, and the module GROUPR generates multigroup self-shielded cross sections. After fine-group, i.e., groupwise ENDF (GENDF), cross sections are produced, cross sections are self-shielded, and a one-dimensional transport calculation is performed to obtain flux spectra at specific regions in the model. These fluxes are then used as weighting functions to collapse the fine-group cross sections to obtain a broad-group cross-section library. The third step described is commonly performed by the AMPX code system. SMILER converts NJOY GENDF filed to AMPX master libraries, AJAX collects the master libraries. BONAMI performs self-shielding calculations, NITAWL converts the AMPX master library to a working library, XSDRNPM performs one-dimensional transport calculations, and MALOCS collapses fine-group cross sections to broad-group. Finally, ALPO is used to generate ANISN format libraries. In this three-step procedure, generally NJOY requires the largest amount of CPU time. This time varies depending on the user's specified parameters for each module, such as reconstruction tolerances, temperatures
Effective Reduced Diffusion-Models: A Data Driven Approach to the Analysis of Neuronal Dynamics
Deco, Gustavo; Martí, Daniel; Ledberg, Anders; Reig, Ramon; Sanchez Vives, Maria V.
2009-01-01
We introduce in this paper a new method for reducing neurodynamical data to an effective diffusion equation, either experimentally or using simulations of biophysically detailed models. The dimensionality of the data is first reduced to the first principal component, and then fitted by the stationary solution of a mean-field-like one-dimensional Langevin equation, which describes the motion of a Brownian particle in a potential. The advantage of such description is that the stationary probability density of the dynamical variable can be easily derived. We applied this method to the analysis of cortical network dynamics during up and down states in an anesthetized animal. During deep anesthesia, intracellularly recorded up and down states transitions occurred with high regularity and could not be adequately described by a one-dimensional diffusion equation. Under lighter anesthesia, however, the distributions of the times spent in the up and down states were better fitted by such a model, suggesting a role for noise in determining the time spent in a particular state. PMID:19997490
NASA Astrophysics Data System (ADS)
Wang, Xiaojun; Lai, Weidong
2011-08-01
In this paper, a combined method have been put forward for one ASTER detected image with the wavelet filter to attenuate the noise and the anisotropic diffusion PDE(Partial Differential Equation) for further recovering image contrast. The model is verified in different noising background, since the remote sensing image usually contains salt and pepper, Gaussian as well as speckle noise. Considered the features that noise existing in wavelet domain, the wavelet filter with Bayesian estimation threshold is applied for recovering image contrast from the blurring background. The proposed PDE are performing an anisotropic diffusion in the orthogonal direction, thus preserving the edges during further denoising process. Simulation indicates that the combined algorithm can more effectively recover the blurred image from speckle and Gauss noise background than the only wavelet denoising method, while the denoising effect is also distinct when the pepper-salt noise has low intensity. The combined algorithm proposed in this article can be integrated in remote sensing image analyzing to obtain higher accuracy for environmental interpretation and pattern recognition.
Zhu, Changfang; Palmer, Gregory M.; Breslin, Tara M.; Harter, Josephine; Ramanujam, Nirmala
2009-01-01
We explore the use of Monte-Carlo-model-based approaches for the analysis of fluorescence and diffuse reflectance spectra measured ex vivo from breast tissues. These models are used to extract the absorption, scattering, and fluorescence properties of malignant and nonmalignant tissues and to diagnose breast cancer based on these intrinsic tissue properties. Absorption and scattering properties, including β-carotene concentration, total hemoglobin concentration, hemoglobin saturation, and the mean reduced scattering coefficient are derived from diffuse reflectance spectra using a previously developed Monte Carlo model of diffuse reflectance. A Monte Carlo model of fluorescence described in an earlier manuscript was employed to retrieve the intrinsic fluorescence spectra. The intrinsic fluorescence spectra were decomposed into several contributing components, which we attribute to endogenous fluorophores that may present in breast tissues including collagen, NADH, and retinol/vitamin A. The model-based approaches removes any dependency on the instrument and probe geometry. The relative fluorescence contributions of individual fluorescing components, as well as β-carotene concentration, hemoglobin saturation, and the mean reduced scattering coefficient display statistically significant differences between malignant and adipose breast tissues. The hemoglobin saturation and the reduced scattering coefficient display statistically significant differences between malignant and fibrous/benign breast tissues. A linear support vector machine classification using (1) fluorescence properties alone, (2) absorption and scattering properties alone, and (3) the combination of all tissue properties achieves comparable classification accuracies of 81 to 84% in sensitivity and 75 to 89% in specificity for discriminating malignant from nonmalignant breast tissues, suggesting each set of tissue properties are diagnostically useful for the discrimination of breast malignancy. PMID
NASA Astrophysics Data System (ADS)
Bilal, S.; Rehman, Khalil Ur; Malik, M. Y.; Hussain, Arif; Awais, M.
The current communication is carried to contemplate the unique and novel characteristics of nanofluids by constructing formulation of Prandtl fluid model. The fascinating aspects of thermo diffusion effects are also accounted in this communication. Mathematical modelling is performed by employing boundary layer approach. Afterwards, similarity variables are selected to convert dimensional non-linear system into dimensionless expressions. The solution of governing dimensionless problem is executed by shooting method (SM). Graphical evaluation is displayed to depict the intrinsic behavior of embedded parameters on dimensionless velocity, temperature, solutal concentration and nanoparticle concentration profiles. Furthermore, the numerical variation for skin friction coefficient, local Nusselt number, Sherwood number and nano Sherwood number is scrutinized through tables. The assurance of current analysis is affirmed by developing comparison with previous findings available in literature, which sets a benchmark for implementation of computational approach. It is inferred from the computation that concentration profile increases whereas Sherwood number decreases for progressive values of Dufour solutal number.
Burnup simulations of an inert matrix fuel using a two region, multigroup reactor physics model
Schneider, E.; Deinert, M.; Bingham Cady, K.
2006-07-01
Determining the time dependent concentration of isotopes in a nuclear reactor core is of fundamental importance to analysis of nuclear fuel cycles and the impact of spent fuels on long term storage facilities. We present a fast, conceptually simple tool for performing burnup calculations applicable to obtaining isotopic balances as a function of fuel burnup. The code (VBUDS: visualization, burnup, depletion and spectra) uses a two region, multigroup collision probability model to determine the energy dependent neutron flux and tracks the buildup and burnout of 24 actinides, as well as fission products. The model has been tested against benchmarked results for LWRs burning UOX and MOX, as well as MONTEBURNS simulations of zirconium oxide based IMF, all with strong fidelity. As an illustrative example, VBUDS burnup calculation results for an IMF fuel are presented in this paper. (authors)
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.
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.
A multigroup item response theory analysis of the psychopathy checklist--revised.
Bolt, Daniel M; Hare, Robert D; Vitale, Jennifer E; Newman, Joseph P
2004-06-01
Item response theory was used to investigate the functioning of the Psychopathy Checklist-Revised (PCL-R; R. D. Hare, 1991, 2003) in several offender populations. With male criminal offenders (N=3,847) as a reference group, differential item functioning analyses were performed for 3 comparison groups: female criminal offenders (N=1,219), male forensic psychiatric patients (N=1,246), and male criminal offenders scored from file reviews (N=2,626). Results are discussed in the context of the 2-factor, 4-facet model for the PCL-R (R. D. Hare, 2003; J. Parker, G. Sitarenios, & R. D. Hare, 2003). Application of a multigroup graded response model to all 4 groups suggests scalar equivalence may hold at least approximately for each population, although the PCL-R provided slightly greater information about the latent trait of psychopathy for male criminal offenders scored from the standard procedure.
Structural optical design of the complex multi-group zoom systems by means of matrix optics.
Kryszczyński, T; Mikucki, J
2013-08-26
New matrix formulas for structural optical design have been obtained from analysis of derivative of the system matrix in respect to construction parameters and movements of components. Functional parameters of the optical system become elements of the matrix, presenting working conditions of the optical system. Developed methodology of structural design multi-group zoom systems with unlimited number of components and with mechanical-electronic compensation is presented. Any optical system, such as the objective lens, reproduction system, or telescopic system, can be analyzed with this methodology. Kinematics of components pertaining to a full tract of the zoom system is determined for a discrete number of positions. Three examples of the structural design of complex zoom systems with five-components and high zooming ratio are provided.
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-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)
Kuzovkov, V. N.
2011-12-01
The goal of this paper is twofold. First, based on the interpretation of a quantum tight-binding model in terms of a classical Hamiltonian map, we consider the Anderson localization (AL) problem as the Fermi-Pasta-Ulam (FPU) effect in a modified dynamical system containing both stable and unstable (inverted) modes. Delocalized states in the AL are analogous to the stable quasi-periodic motion in FPU, whereas localized states are analogous to thermalization, respectively. The second aim is to use the classical Hamilton map for a simplified derivation of exact equations for the localization operator H(z). The latter was presented earlier (Kuzovkov et al 2002 J. Phys.: Condens. Matter 14 13777) treating the AL as a generalized diffusion in a dynamical system. We demonstrate that counter-intuitive results of our studies of the AL are similar to the FPU counter-intuitivity.
NASA Astrophysics Data System (ADS)
Sabio, E.; Zamora, F.; González-García, C. M.; Ledesma, B.; Álvarez-Murillo, A.; Román, S.
2016-12-01
In this work, the adsorption kinetics of p-nitrophenol (PNP) onto several commercial activated carbons (ACs) with different textural and geometrical characteristics was studied. For this aim, a homogeneous diffusion solid model (HDSM) was used, which does take the adsorbent shape into account. The HDSM was solved by means of the finite element method (FEM) using the commercial software COMSOL. The different kinetic patterns observed in the experiments carried out can be described by the developed model, which shows that the sharp drop of adsorption rate observed in some samples is caused by the formation of a concentration wave. The model allows one to visualize the changes in concentration taking place in both liquid and solid phases, which enables us to link the kinetic behaviour with the main features of the carbon samples.
Mitchell, Shannon K; Kelly, Kevin J; Potgieter, François E; Moon, Martha W
2009-02-01
Researchers conducted focus groups in the Eastern Cape Province of South Africa concerning AIDS and treatment options. Constituent groups included adults aged 25-45, HIV/AIDS caregivers, HIV-positive adults, nurses, rural elders, teenagers, and traditional healers. This pilot work aimed to gather early evidence on perceptions about the government's rollout of antiretroviral treatment (ART), identify potential barriers to success, and inform a subsequent pilot survey. Diffusion of innovations theory was used to interpret the data and helped identify potential obstacles to the ART rollout. AIDS stigma and a weakened healthcare system were negatively impacting the program. There was a lack of accurate knowledge about HIV/AIDS and antiretroviral treatment, with wide disparities among groups. Many people were not convinced that antiretroviral treatment is superior to other treatments, and a few people were afraid it was poisonous. There was no evidence that people were aware of the long-term difficulties of adherence to the regimen.
Variational and Diffusion Monte Carlo Approaches to the Nuclear Few- and Many-Body Problem
NASA Astrophysics Data System (ADS)
Pederiva, Francesco; Roggero, Alessandro; Schmidt, Kevin E.
We review Quantum Monte Carlo methods, a class of stochastic methods allowing for solving the many-body Schrödinger equation for an arbitrary Hamiltonian. The basic elements of the stochastic integration theory are first presented, followed by the implementation to the variational solution of the quantum many-body problem. Projection algorithms are then introduced, beginning with a formulation in coordinate space for central potentials, in order to illustrate the fundamental ideas. The extension to Hamiltonians with an explicit dependence on the spin-isospin degrees of freedom is then presented by making use of auxiliary fields (Auxiliary Field Diffusion Monte Carlo, AFDMC). Finally, we present the Configuration Interaction Monte Carlo algorithm (CIMC) a method to compute the ground state of general, local or non-local, Hamiltonians based on the configuration space sampling.
Sabio, E; Zamora, F; González-García, C M; Ledesma, B; Álvarez-Murillo, A; Román, S
2016-12-01
In this work, the adsorption kinetics of p-nitrophenol (PNP) onto several commercial activated carbons (ACs) with different textural and geometrical characteristics was studied. For this aim, a homogeneous diffusion solid model (HDSM) was used, which does take the adsorbent shape into account. The HDSM was solved by means of the finite element method (FEM) using the commercial software COMSOL. The different kinetic patterns observed in the experiments carried out can be described by the developed model, which shows that the sharp drop of adsorption rate observed in some samples is caused by the formation of a concentration wave. The model allows one to visualize the changes in concentration taking place in both liquid and solid phases, which enables us to link the kinetic behaviour with the main features of the carbon samples.
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.
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
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.
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.
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.
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
Basafa, Ehsan; Armand, Mehran
2014-07-18
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 9 ml of bone cement. This increase is comparable to previous literature reports where gross filling of the bone was employed instead, using more than 40 ml 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.
NASA Astrophysics Data System (ADS)
Chen, Ching-Yao; Yan, Pei-Yu
2015-08-01
Miscible and immiscible injection flows in heterogeneous porous media, for which the permeability is characterized by a log Gaussian distribution, are simulated by a robust diffuse-interface formulation. The robust numerical method enables direct qualitative and quantitative comparisons regarding pattern formations in various fluid miscibility conditions. For miscible injections, the typical size of fingering structures depends strongly on the correlation length and forms tapered fingers with sharper tips. On the other hand, the typical size of immiscible fingers is affected less significantly by the permeability heterogeneity, and wide spreading tips are retained in the fingering patterns. Prominence of fingering instability is quantitatively evaluated by the channeling width and the interfacial length. The channeling width shows strong and monotonic dependences on the heterogeneous variance. On the contrary, maximum channeling width occurs at intermediate correlation length due to local resonant effect between the faster penetrating fingers and permeability heterogeneity. On the other hand, effects of the correlation length and the permeability variance on the interfacial lengths are generally consistent. Longer interfacial length is perturbed by smaller correlation length or higher variance. Interesting invariant evolutions of interfacial lengths are revealed regardless of the permeability variance in sufficiently large correlation length under all miscibility conditions. In addition, the regime of slower growth of interfacial length at later times experimentally observed in homogeneous miscible injection is verified in heterogeneous porous media as well.
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.
NASA Astrophysics Data System (ADS)
Xia, Shaoyan; Huang, Yong; Tan, Xiaodi
2016-03-01
Partial differential equation (PDE)-based nonlinear diffusion processes have been widely used for image denoising. In the traditional nonlinear anisotropic diffusion denoising techniques, behavior of the diffusion depends highly on the gradient of image. However, it is difficult to get a good effect if we use these methods to reduce noise in optical coherence tomography images. Because background has the gradient that is very similar to regions of interest, so background noise will be mistaken for edge information and cannot be reduced. Therefore, nonlinear complex diffusion approaches using texture feature(NCDTF) for noise reduction in phase-resolved optical coherence tomography is proposed here, which uses texture feature in OCT images and structural OCT images to remove noise in phase-resolved OCT. Taking into account the fact that texture between background and signal region is different, which can be linked with diffusion coefficient of nonlinear complex diffusion model, we use NCDTF method to reduce noises of structure and phase images first. Then, we utilize OCT structure images to filter phase image in OCT. Finally, to validate our method, parameters such as image SNR, contrast-to-noise ratio (CNR), equivalent number of looks (ENL), and edge preservation were compared between our approach and median filter, Gaussian filter, wavelet filter, nonlinear complex diffusion filter (NCDF). Preliminary results demonstrate that NCDTF method is more effective than others in keeping edges and denoising for phase-resolved OCT.
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.
Molinaro, Valeria; Pensotti, Valeria; Marabelli, Monica; Feroce, Irene; Barile, Monica; Pozzi, Simonetta; Laghi, Luigi; Serrano, Davide; Bernard, Loris; Bonanni, Bernardo; Ranzani, Guglielmina Nadia
2014-05-01
Germline inactivation of the E-cadherin gene (CDH1) is associated with hereditary diffuse gastric cancer (HDGC), a rare autosomal dominant syndrome predisposing to both diffuse gastric cancer (DGC) and lobular breast cancer (LBC). We searched for CDH1 germline defects in 32 HDGC Italian probands selected according to international consensus criteria and in 5 selected relatives. We used a series of molecular methods, including: DNA sequencing, multiplex ligation-dependent probe amplification, single-nucleotide primer extension, bisulfite sequencing, reverse-transcription PCR, and bioinformatics tools. We identified pathogenic mutations in 6 out of 32 probands (19%): one truncating and two missense mutations, one large deletion, one allelic expression imbalance and one splicing defect. Three out of six CDH1 constitutive alterations were novel. Our data support the need for a multimethod approach for CDH1 genetic testing, demonstrating that both DNA and RNA analyses are required to increase the detection rate of pathogenic mutations, thus reducing the number of patients without a clear molecular diagnosis. On the whole, our results indicate that not only DGC patients, but also subjects with personal or family history of LBC might benefit from CDH1 genetic testing. Moreover, our findings support the notion that prophylactic gastrectomy should be offered to asymptomatic CDH1 mutation carriers; indeed, while endoscopic analysis with histological examination of random gastric biopsies can miss cancer foci, gastrectomy performed in these subjects always revealed foci of cancer cells.
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.
Heathwaite, A L; Dils, R M; Liu, S; Carvalho, L; Brazier, R E; Pope, L; Hughes, M; Phillips, G; May, L
2005-05-15
Implementation of the European Union Water Framework Directive requires an assessment of the pressures from human activity, which, combined with information on the sensitivity of the receiving waterbody to the pressures, will identify those water bodies at risk of failing to meet the Directive's environmental objectives. Part of the process of undertaking the risk assessment for lakes is an assessment of diffuse agricultural phosphorus (P) pressures. Three approaches of increasing sophistication were developed for this purpose: a basic 'risk screening' approach (tier 1) applicable to all lakes in Great Britain (GB) and based on export coefficients for different land cover classes and animal types; the Pressure Delivery Risk Screening Matrix approach (tier 2) that differentiated between pressures in surface water and groundwater river basins; and the Phosphorus Indicators Tool (PIT), a simple model of locational risk and P delivery potential (tier 3). Application of the three approaches to a range of lake catchments in England demonstrated that a tiered risk assessment approach was appropriate which was tailored to the quality of the available data. A step-wise procedure was developed whereby if the tier 1 and 2 approaches showed a catchment to be at high risk of failing to meet the Directive's environmental objectives with regard to P, it was justifiable to undertake a more detailed assessment using the tier 3 approach. The tier 1 approach was applied to all lakes in GB greater than 1 ha in size on the assumption that the boundary between the good/moderate status classes under the Water Framework Directive guidelines represented a doubling of the total P (TP) reference conditions. The initial outputs suggested that 51% of lakes in GB are predicted to not meet the TP targets identified for high or good status and must, therefore, be considered at risk. There were regional differences in numbers of lakes at risk. Scotland appeared to have the fewest sites at risk (18
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.
A novel diffusion-tensor MRI approach for skeletal muscle fascicle length measurements.
Oudeman, Jos; Mazzoli, Valentina; Marra, Marco A; Nicolay, Klaas; Maas, Mario; Verdonschot, Nico; Sprengers, Andre M; Nederveen, Aart J; Strijkers, Gustav J; Froeling, Martijn
2016-12-01
Musculoskeletal (dys-)function relies for a large part on muscle architecture which can be obtained using Diffusion-Tensor MRI (DT-MRI) and fiber tractography. However, reconstructed tracts often continue along the tendon or aponeurosis when using conventional methods, thus overestimating fascicle lengths. In this study, we propose a new method for semiautomatic segmentation of tendinous tissue using tract density (TD). We investigated the feasibility and repeatability of this method to quantify the mean fascicle length per muscle. Additionally, we examined whether the method facilitates measuring changes in fascicle length of lower leg muscles with different foot positions. Five healthy subjects underwent two DT-MRI scans of the right lower leg, with the foot in 15° dorsiflexion, neutral, and 30° plantarflexion positions. Repeatability of fascicle length measurements was assessed using Bland-Altman analysis. Changes in fascicle lengths between the foot positions were tested using a repeated multivariate analysis of variance (MANOVA). Bland-Altman analysis showed good agreement between repeated measurements. The coefficients of variation in neutral position were 8.3, 16.7, 11.2, and 10.4% for soleus (SOL), fibularis longus (FL), extensor digitorum longus (EDL), and tibialis anterior (TA), respectively. The plantarflexors (SOL and FL) showed significant increase in fascicle length from plantarflexion to dorsiflexion, whereas the dorsiflexors (EDL and TA) exhibited a significant decrease. The use of a tract density for semiautomatic segmentation of tendinous structures provides more accurate estimates of the mean fascicle length than traditional fiber tractography methods. The method shows moderate to good repeatability and allows for quantification of changes in fascicle lengths due to passive stretch.
A new computational approach for modeling diffusion tractography in the brain.
Garimella, Harsha T; Kraft, Reuben H
2017-01-01
Computational models provide additional tools for studying the brain, however, many techniques are currently disconnected from each other. There is a need for new computational approaches that span the range of physics operating in the brain. In this review paper, we offer some new perspectives on how the embedded element method can fill this gap and has the potential to connect a myriad of modeling genre. The embedded element method is a mesh superposition technique used within finite element analysis. This method allows for the incorporation of axonal fiber tracts to be explicitly represented. Here, we explore the use of the approach beyond its original goal of predicting axonal strain in brain injury. We explore the potential application of the embedded element method in areas of electrophysiology, neurodegeneration, neuropharmacology and mechanobiology. We conclude that this method has the potential to provide us with an integrated computational framework that can assist in developing improved diagnostic tools and regeneration technologies.
A new computational approach for modeling diffusion tractography in the brain
Garimella, Harsha T.; Kraft, Reuben H.
2017-01-01
Computational models provide additional tools for studying the brain, however, many techniques are currently disconnected from each other. There is a need for new computational approaches that span the range of physics operating in the brain. In this review paper, we offer some new perspectives on how the embedded element method can fill this gap and has the potential to connect a myriad of modeling genre. The embedded element method is a mesh superposition technique used within finite element analysis. This method allows for the incorporation of axonal fiber tracts to be explicitly represented. Here, we explore the use of the approach beyond its original goal of predicting axonal strain in brain injury. We explore the potential application of the embedded element method in areas of electrophysiology, neurodegeneration, neuropharmacology and mechanobiology. We conclude that this method has the potential to provide us with an integrated computational framework that can assist in developing improved diagnostic tools and regeneration technologies. PMID:28250733
NASA Astrophysics Data System (ADS)
Fabre, Antoine; Hristov, Jordan
2017-01-01
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.
1978-11-01
applying a known neutron - flux history to multigroup cross sections taken from ENDF/B. In the present application to essentially instantaneous fission we have...AFWL-TR-78-4 AFWL-TR- (2EYEL 78-4 EXPERIMENTAL SERIES PARAMETERS FOR THE DECAY OF MULTIGROUP BETA AND GAMMA SSPECTRA FROM 0.1 TO 1000 SECONDS AFTER A...1.) November 1978 t LLJ - Final Report Approved for public release; distribution unlimited. -D DC B AIR FORCE WEAPONS LABORATORY Air Force Systems
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.
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.
Bergiers, C.; Ivanov, B.; Ivanov, K.
2006-07-01
This paper presents a benchmark framework established as a basis for investigation of the validity of multi-group approximation with respect to the continuous energy approach, of the level of spatial homogenization with respect to heterogeneous solution, and of the level of angular approximation to the linear Boltzmann transport equation in respect to the Monte Carlo reference solution. Several steady-state solutions of this benchmark have been generated using three different computer codes focusing on the two-dimensional (2-D) geometry model. MCNP5 has been used to generate the reference solution using the continuous energy library. HELIOS is then used for both to solve the problem using a 45 group cross-section library and to generate new sets of few-group cross-sections for the core simulator NEM. The results from the diffusion option of the NEM code on pin-by-pin and Fuel Assembly (FA) basis are presented and discussed in the paper. The benchmark is being designed for evaluation of number of energy groups (number of energy groups and energy cut off points) and spatial (homogenized assembly level vs. homogenized pin cell level) representation needed for high-fidelity reactor core calculation schemes developed at the Pennsylvania State Univ. such as NEM SP3, hybrid NEM-BEM and some recent developments of embedded three-dimensional pin-by-pin diffusion / SP3 finite element calculation schemes. (authors)
Homma, Yuko; Zumbo, Bruno D.; Saewyc, Elizabeth M.; Wong, Sabrina T.
2016-01-01
We examined the psychometric properties of scores on a 6-item version of the Multigroup Ethnic Identity Measure (MEIM) among East Asian adolescents in Canada. A series of confirmatory factor analysis (CFA) was conducted for 4,190 East Asians who completed a provincial survey of students in grades 7 to 12. The MEIM measured highly correlated dimensions of ethnic identity (exploration and commitment). Further, multi-group CFA indicated that the scale measured the same constructs on the same metric across three age groups and across four groups with varying degrees of exposure to Canadian and East Asian cultures. The findings suggest the short version of the MEIM can be used to compare levels of ethnic identity across different age or acculturation groups. PMID:27833471
Neutron-photon multigroup cross sections for neutron energies less than or equal to 400 MeV
Alsmiller, R.G. Jr.; Barish, J.
1981-06-01
Multigroup cross sections (66 neutron groups and 21 gamma ray groups) are described for neutron energies from thermal to 400 MeV. The elements considered are hydrogen, /sup 10/B, /sup 11/B, carbon, nitrogen, oxygen, sodium, magnesium, aluminum, silicon, sulfur, potassium, calcium, chromium, iron, nickel, tungsten and lead. These cross sections are available from the Radiation Shielding Information Center of the Oak Ridge National Laboratory. 19 references.
MACFARLANE, ROBERT E.
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.
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.
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.
Duffau, Hugues; Taillandier, Luc
2015-01-01
Diffuse low-grade glioma grows, migrates along white matter tracts, and progresses to high-grade glioma. Rather than a “wait and see” policy, an aggressive attitude is now recommended, with early surgery as the first therapy. Intraoperative mapping, with maximal resection according to functional boundaries, is associated with a longer overall survival (OS) while minimizing morbidity. However, most studies have investigated the role of only one specific treatment (surgery, radiotherapy, chemotherapy) without taking a global view of managing the cumulative time while preserving quality of life (QoL) versus time to anaplastic transformation. Our aim is to switch towards a more holistic concept based upon the anticipation of a personalized and long-term multistage therapeutic approach, with online adaptation of the strategy over the years using feedback from clinical, radiological, and histomolecular monitoring. This dynamic strategy challenges the traditional approach by proposing earlier therapy, by repeating treatments, and by reversing the classical order of therapies (eg, neoadjuvant chemotherapy when maximal resection is impossible, no early radiotherapy) to improve OS and QoL. New individualized management strategies should deal with the interactions between the course of this chronic disease, reaction brain remapping, and oncofunctional modulation elicited by serial treatments. This philosophy supports a personalized, functional, and preventive neuro-oncology. PMID:25087230
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.
Duffau, Hugues; Taillandier, Luc
2015-03-01
Diffuse low-grade glioma grows, migrates along white matter tracts, and progresses to high-grade glioma. Rather than a "wait and see" policy, an aggressive attitude is now recommended, with early surgery as the first therapy. Intraoperative mapping, with maximal resection according to functional boundaries, is associated with a longer overall survival (OS) while minimizing morbidity. However, most studies have investigated the role of only one specific treatment (surgery, radiotherapy, chemotherapy) without taking a global view of managing the cumulative time while preserving quality of life (QoL) versus time to anaplastic transformation. Our aim is to switch towards a more holistic concept based upon the anticipation of a personalized and long-term multistage therapeutic approach, with online adaptation of the strategy over the years using feedback from clinical, radiological, and histomolecular monitoring. This dynamic strategy challenges the traditional approach by proposing earlier therapy, by repeating treatments, and by reversing the classical order of therapies (eg, neoadjuvant chemotherapy when maximal resection is impossible, no early radiotherapy) to improve OS and QoL. New individualized management strategies should deal with the interactions between the course of this chronic disease, reaction brain remapping, and oncofunctional modulation elicited by serial treatments. This philosophy supports a personalized, functional, and preventive neuro-oncology. © The Author(s) 2014. Published by Oxford University Press on behalf of the Society for Neuro-Oncology. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Kreilkamp, Barbara A K; Zacà, Domenico; Papinutto, Nico; Jovicich, Jorge
2016-01-01
To evaluate how retrospective head motion correction strategies affect the estimation of scalar metrics commonly used in clinical diffusion tensor imaging (DTI) studies along with their across-session reproducibility errors. Fractional anisotropy (FA), mean diffusivity (MD), radial diffusivity (RD), axial diffusivity (AD) and their respective across-session reproducibility errors were measured on a 4T test-retest dataset of healthy participants using five processing pipelines. These differed in: 1) the number of b0 volumes used for motion correction reference (one or five); 2) the estimations of the gradient matrix rotation (based on 6 or 12 degrees of freedom derived from coregistration); and 3) the software packages used (FSL or DTIPrep). Biases and reproducibility were evaluated in three regions of interest (ROIs) (bilateral arcuate fasciculi, cingula, and the corpus callosum) and also at the full brain level with tract based skeleton images. Preprocessing choices affected DTI measures and their reproducibility. The DTIPrep pipeline exhibited higher DTI metrics: FA/MD and AD (P < 0.05) relative to FSL pipelines both at the ROI and full brain level, and lower RD estimates (P < 0.05) at the ROI level. Within FSL pipelines no such effects were found (P-values ranging between 0.25 and 0.97). The DTIPrep pipeline showed the highest number of white matter skeleton voxels, with significantly higher reproducibility (P < 0.001) relative to the other pipelines (tested on P < 0.01 uncorrected maps). The use of an iteratively averaged b0 image as motion correction reference (as performed by DTIPrep) affects both scalar values and improves test-retest reliability relative to the other tested pipelines. These considerations are potentially relevant for data analysis in longitudinal DTI studies. © 2015 Wiley Periodicals, Inc.
Multi-Group Reductions of LTE Air Plasma Radiative Transfer in Cylindrical Geometries
NASA Technical Reports Server (NTRS)
Scoggins, James; Magin, Thierry Edouard Bertran; Wray, Alan; Mansour, Nagi N.
2013-01-01
Air plasma radiation in Local Thermodynamic Equilibrium (LTE) within cylindrical geometries is studied with an application towards modeling the radiative transfer inside arc-constrictors, a central component of constricted-arc arc jets. A detailed database of spectral absorption coefficients for LTE air is formulated using the NEQAIR code developed at NASA Ames Research Center. The database stores calculated absorption coefficients for 1,051,755 wavelengths between 0.04 µm and 200 µm over a wide temperature (500K to 15 000K) and pressure (0.1 atm to 10.0 atm) range. The multi-group method for spectral reduction is studied by generating a range of reductions including pure binning and banding reductions from the detailed absorption coefficient database. The accuracy of each reduction is compared to line-by-line calculations for cylindrical temperature profiles resembling typical profiles found in arc-constrictors. It is found that a reduction of only 1000 groups is sufficient to accurately model the LTE air radiation over a large temperature and pressure range. In addition to the reduction comparison, the cylindrical-slab formulation is compared with the finite-volume method for the numerical integration of the radiative flux inside cylinders with varying length. It is determined that cylindrical-slabs can be used to accurately model most arc-constrictors due to their high length to radius ratios.
Testing of the ABBN-RF multigroup data library in photon transport calculations
NASA Astrophysics Data System (ADS)
Koscheev, Vladimir; Lomakov, Gleb; Manturov, Gennady; Tsiboulia, Anatoly
2017-09-01
Gamma radiation is produced via both of nuclear fuel and shield materials. Photon interaction is known with appropriate accuracy, but secondary gamma ray production known much less. The purpose of this work is studying secondary gamma ray production data from neutron induced reactions in iron and lead by using MCNP code and modern nuclear data as ROSFOND, ENDF/B-7.1, JEFF-3.2 and JENDL-4.0. Results of calculations show that all of these nuclear data have different photon production data from neutron induced reactions and have poor agreement with evaluated benchmark experiment. The ABBN-RF multigroup cross-section library is based on the ROSFOND data. It presented in two forms of micro cross sections: ABBN and MATXS formats. Comparison of group-wise calculations using both ABBN and MATXS data to point-wise calculations with the ROSFOND library shows a good agreement. The discrepancies between calculation and experimental C/E results in neutron spectra are in the limit of experimental errors. For the photon spectrum they are out of experimental errors. Results of calculations using group-wise and point-wise representation of cross sections show a good agreement both for photon and neutron spectra.
Kim, Kang Seog; Williams, Mark L
2012-01-01
SCALE 6 computes problem-dependent multigroup (MG) cross sections through a combination of the conventional Bondarenko shielding-factor method and a deterministic pointwise (PW) transport calculation of the fine-structure spectra in the resolved resonance and thermal energy ranges. The PW calculation is performed by the CENTRM code using a 1-D cylindrical Wigner-Seitz model with the white boundary condition instead of the real rectangular cell shape to represent a lattice unit cell. The pointwise fluxes computed by CENTRM are not exact because a 1-D model is used for the transport calculation, which introduces discrepancies in the MG self-shielded cross sections, resulting in some deviation in the eigenvalue. In order to solve this problem, the method of characteristics (MOC) has been applied to enable the CENTRM PW transport calculation for a 2-D square pin cell. The computation results show that the new BONAMI/CENTRM-MOC procedure produces very precise self-shielded cross sections compared to MCNP reaction rates.
Validation of the Resilience Scale for Adolescents (READ) in Ireland: a multi-group analysis.
Kelly, Yvonne; Fitzgerald, Amanda; Dooley, Barbara
2016-04-29
Resilience is a process reflecting positive adaptation in the face of adversity. The Resilience Scale for Adolescence (READ) incorporates intrapersonal and interpersonal protective factors mapping onto the three salient domains of resilience, including individual, family and external environment. This study investigated the validity and reliability of the READ by means of factor analysis, multi-group analysis, inter-correlations and internal consistency measures. Participants were 6085 young people in Ireland aged 12-18 years. Participants completed the My World Survey - Second Level (MWS-SL), assessing risk and protective factors of mental health. Confirmatory factor analysis validated the original five-factor structure of the READ including Personal Competence, Social Competence, Structured Style, Family Cohesion, and Social Resources, χ(2) (340) = 6146.02, p < 0.001, RMSEA = 0.056 (90% CI = 0.054-0.057), CFI = 0.97; GFI = 0.93. Measurement invariance indicated that the five-factor structure was similar across gender, school cycle and distress levels. Construct validity was evident, by correlating the five factors of the READ with various social, psychological and behavioural variables. The findings suggest that the READ is a valid measure to assess resilience factors among adolescents in Ireland, demonstrating its applicability in a different cultural context and with a wider age range of adolescents. Copyright © 2016 John Wiley & Sons, Ltd.
The complexity of personality: advantages of a genetically sensitive multi-group design.
Hahn, Elisabeth; Spinath, Frank M; Siedler, Thomas; Wagner, Gert G; Schupp, Jürgen; Kandler, Christian
2012-03-01
Findings from many behavioral genetic studies utilizing the classical twin design suggest that genetic and non-shared environmental effects play a significant role in human personality traits. This study focuses on the methodological advantages of extending the sampling frame to include multiple dyads of relatives. We investigated the sensitivity of heritability estimates to the inclusion of sibling pairs, mother-child pairs and grandparent-grandchild pairs from the German Socio-Economic Panel Study in addition to a classical German twin sample consisting of monozygotic- and dizygotic twins. The resulting dataset contained 1.308 pairs, including 202 monozygotic and 147 dizygotic twin pairs, along with 419 sibling pairs, 438 mother-child dyads, and 102 grandparent-child dyads. This genetically sensitive multi-group design allowed the simultaneous testing of additive and non-additive genetic, common and specific environmental effects, including cultural transmission and twin-specific environmental influences. Using manifest and latent modeling of phenotypes (i.e., controlling for measurement error), we compare results from the extended sample with those from the twin sample alone and discuss implications for future research.
Stability analysis of multi-group deterministic and stochastic epidemic models with vaccination rate
NASA Astrophysics Data System (ADS)
Wang, Zhi-Gang; Gao, Rui-Mei; Fan, Xiao-Ming; Han, Qi-Xing
2014-09-01
We discuss in this paper a deterministic multi-group MSIR epidemic model with a vaccination rate, the basic reproduction number ℛ0, a key parameter in epidemiology, is a threshold which determines the persistence or extinction of the disease. By using Lyapunov function techniques, we show if ℛ0 is greater than 1 and the deterministic model obeys some conditions, then the disease will prevail, the infective persists and the endemic state is asymptotically stable in a feasible region. If ℛ0 is less than or equal to 1, then the infective disappear so the disease dies out. In addition, stochastic noises around the endemic equilibrium will be added to the deterministic MSIR model in order that the deterministic model is extended to a system of stochastic ordinary differential equations. In the stochastic version, we carry out a detailed analysis on the asymptotic behavior of the stochastic model. In addition, regarding the value of ℛ0, when the stochastic system obeys some conditions and ℛ0 is greater than 1, we deduce the stochastic system is stochastically asymptotically stable. Finally, the deterministic and stochastic model dynamics are illustrated through computer simulations.
Suicide risk and psychopathology in immigrants: a multi-group confirmatory factor analysis.
Iliceto, Paolo; Pompili, Maurizio; Candilera, Gabriella; Borges, Guilherme; Lamis, Dorian A; Serafini, Gianluca; Girardi, Paolo
2013-07-01
Immigrants may experience several negative consequences as a result of their migration including discrimination, unsatisfactory economic conditions, and rejection from the host countries, which may contribute to psychiatric illness and vulnerability to suicidal behaviors. The purpose of the current study was to determine whether or not the theorized components of measured dimensions of suicide risk and psychopathology vary across samples of Italians and immigrants. We investigated 237 Italians and 234 immigrants, who were administered self-report questionnaires to assess temperament (TEMPS-A), hopelessness (BHS), personality (EPQ-R), and self-other perception (9AP). Multi-group confirmatory factor analyses were conducted, which yielded a final model with an excellent fit to the data (χ (53) (2) = 57.56; CFI = 0.994; RMSEA = 0.014). This final model fits significantly better than the previously tested models and indicated that the same pattern of relationships was found between suicide risk and psychopathology across both groups. Although immigrants represent a unique population and may experience specific stressors contributing to psychopathology and suicide risk, our findings suggest that the samples of Italians and immigrants may be more similar on the study variables under investigation than previously thought. Implications are offered for the improved identification and treatment of immigrants and resident citizens in Europe in general and in Italy in particular.
Olson, Gordon L.
2015-09-24
One-dimensional models for the transport of radiation through binary stochastic media do not work in multi-dimensions. In addition, authors have attempted to modify or extend the 1D models to work in multidimensions without success. Analytic one-dimensional models are successful in 1D only when assuming greatly simplified physics. State of the art theories for stochastic media radiation transport do not address multi-dimensions and temperature-dependent physics coefficients. Here, the concept of effective opacities and effective heat capacities is found to well represent the ensemble averaged transport solutions in cases with gray or multigroup temperature-dependent opacities and constant or temperature-dependent heat capacities. Inmore » every case analyzed here, effective physics coefficients fit the transport solutions over a useful range of parameter space. The transport equation is solved with the spherical harmonics method with angle orders of n=1 and 5. Although the details depend on what order of solution is used, the general results are similar, independent of angular order.« less
Olson, Gordon L.
2015-09-24
One-dimensional models for the transport of radiation through binary stochastic media do not work in multi-dimensions. In addition, authors have attempted to modify or extend the 1D models to work in multidimensions without success. Analytic one-dimensional models are successful in 1D only when assuming greatly simplified physics. State of the art theories for stochastic media radiation transport do not address multi-dimensions and temperature-dependent physics coefficients. Here, the concept of effective opacities and effective heat capacities is found to well represent the ensemble averaged transport solutions in cases with gray or multigroup temperature-dependent opacities and constant or temperature-dependent heat capacities. In every case analyzed here, effective physics coefficients fit the transport solutions over a useful range of parameter space. The transport equation is solved with the spherical harmonics method with angle orders of n=1 and 5. Although the details depend on what order of solution is used, the general results are similar, independent of angular order.
MENDF71x. Multigroup Neutron Cross Section Data Tables Based upon ENDF/B-VII.1
Conlin, Jeremy Lloyd; Parsons, Donald Kent; Gardiner, Steven J.; Gray, Mark Girard; Lee, Mary Beth; White, Morgan Curtis
2015-12-17
A new multi-group neutron cross section library has been released along with the release of NDI version 2.0.20. The library is named MENDF71x and is based upon the evaluations released in ENDF/B-VII.1 which was made publicly available in December 2011. ENDF/B-VII.1 consists of 423 evaluations of which ten are excited states evaluations and 413 are ground state evaluations. MENDF71x was created by processing the 423 evaluations into 618-group, downscatter only NDI data tables. The ENDF/B evaluation files were processed using NJOY version 99.393 with the exception of ^{35}Cl and ^{233}U. Those two isotopes had unique properties that required that we process the evaluation using NJOY version 2012. The MENDF71x library was only processed to room temperature, i.e., 293.6 K. In the future, we plan on producing a multi-temperature library based on ENDF/B-VII.1 and compatible with MENDF71x.
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
ERIC Educational Resources Information Center
Singh, Gurmak; Hardaker, Glenn
2017-01-01
Using Giddens' theory of structuration as a theoretical framework, this paper outlines how five prominent United Kingdom universities aimed to integrate top-down and bottom-up approaches to the adoption and diffusion of e-learning. The aim of this paper is to examine the major challenges that arise from the convergence of bottom-up perspectives…
Leemans, A; Sijbers, J; De Backer, S; Vandervliet, E; Parizel, P
2006-06-01
In this paper an automatic multiscale feature-based rigid-body coregistration technique for diffusion tensor imaging (DTI) based on the local curvature kappa and torsion tau of the white matter (WM) fiber pathways is presented. As a similarity measure, the mean squared difference (MSD) of corresponding fiber pathways in (kappa, tau)-space is chosen. After the MSD is minimized along the arc length of the curve, principal component analysis is applied to calculate the transformation parameters. In addition, a scale-space representation of the space curves is incorporated, resulting in a multiscale robust coregistration technique. This fully automatic technique inherently allows one to apply region of interest (ROI) coregistration, and is adequate for performing both global and local transformations. Simulations were performed on synthetic DT data to evaluate the coregistration accuracy and precision. An in vivo coregistration example is presented and compared with a voxel-based coregistration approach, demonstrating the feasibility and advantages of the proposed technique to align DT data of the human brain.
NASA Astrophysics Data System (ADS)
Chuang, Yao-Li; Cristini, Vittorio; Chen, Ying; Li, Xiangrong; Frieboes, Hermann; Lowengrub, John
2012-02-01
Understanding the spatiotemporal evolution of tumor growth is essential for developing effective strategies to treat cancers. Various studies have suggested that spatial heterogeneity during tumors growth is a key factor associated with subsequent tumor invasion and the effectiveness of chemotherapy. Spatial heterogeneity may arise due to morphological instability of the tumors and the complex tissue structure surrounding the tumors. In previous works, we have used a Cahn-Hilliard tumor growth model to study the morphological instability for tumors in non-resisting tissues. However, most tumors are surrounded by complex tissue structures and confined in the capsules of some organs or between certain basement membranes. The capsules and basement membranes may be distorted by interacting with the evolving tumors, affecting the morphological instability. Here we adopt a novel diffuse domain approach to adapt our previous Cahn-Hilliard model for tumor growth in such complex evolving environments. As an example, we apply the model to simulate the evolution of lymphoma in a lymph node, incorporating also the tumor-induced angiogenesis.
Choi, Yoon Jung; Yu, Hon J.; Li, Yifan
2017-01-01
Purpose. This study investigated the impact of the different region of interest (ROI) approaches on measurement of apparent diffusion coefficient (ADC) values in the breast firbroglandular tissue (FT). Methods. Breast MR images of 38 women diagnosed with unilateral breast cancer were studied. Percent density (PD) and ADC were measured from the contralateral normal breast. Four different ROIs were used for ADC measurement. The measured PD and ADC were correlated. Results. Among the four ROIs, the manually placed small ROI on FT gave the highest mean ADC (ADC = 1839 ± 343 [×10−6 mm2/s]), while measurement from the whole breast gave the lowest mean ADC (ADC = 933 ± 383 [×10−6 mm2/s]). The ADC measured from the whole breast was highly correlated with PD with r = 0.95. In slice-to-slice comparison, the central slices with more FT had higher ADC values than the peripheral slices did, presumably due to less partial volume effect from fat. Conclusions. Our results indicated that the measured ADC heavily depends on the composition of breast tissue contained in the ROI used for the ADC measurements. Women with low breast density showing lower ADC values were most likely due to the partial volume effect of fatty tissues. PMID:28349054
Nichols, Brandon S; Rajaram, Narasimhan; Tunnell, James W
2012-05-01
Diffuse optical spectroscopy (DOS) provides a powerful tool for fast and noninvasive disease diagnosis. The ability to leverage DOS to accurately quantify tissue optical parameters hinges on the model used to estimate light-tissue interaction. We describe the accuracy of a lookup table (LUT)-based inverse model for measuring optical properties under different conditions relevant to biological tissue. The LUT is a matrix of reflectance values acquired experimentally from calibration standards of varying scattering and absorption properties. Because it is based on experimental values, the LUT inherently accounts for system response and probe geometry. We tested our approach in tissue phantoms containing multiple absorbers, different sizes of scatterers, and varying oxygen saturation of hemoglobin. The LUT-based model was able to extract scattering and absorption properties under most conditions with errors of less than 5 percent. We demonstrate the validity of the lookup table over a range of source-detector separations from 0.25 to 1.48 mm. Finally, we describe the rapid fabrication of a lookup table using only six calibration standards. This optimized LUT was able to extract scattering and absorption properties with average RMS errors of 2.5 and 4 percent, respectively.
Moraschi, Marta; Hagberg, Gisela E; Di Paola, Margherita; Spalletta, Gianfranco; Maraviglia, Bruno; Giove, Federico
2010-03-01
To compare the effects of anisotropic and Gaussian smoothing on the outcomes of diffusion tensor imaging (DTI) voxel-based (VB) analyses in the clinic, in terms of signal-to-noise ratio (SNR) enhancement and directional information and boundary structures preservation. DTI data of 30 Alzheimer's disease (AD) patients and 30 matched control subjects were obtained at 3T. Fractional anisotropy (FA) maps with variable degrees and quality (Gaussian and anisotropic) of smoothing were created and compared with an unsmoothed dataset. The two smoothing approaches were evaluated in terms of SNR improvements, capability to separate differential effects between patients and controls by a standard VB analysis, and level of artifacts introduced by the preprocessing. Gaussian smoothing regionally biased the FA values and introduced a high variability of results in clinical analysis, greatly dependent on the kernel size. On the contrary, anisotropic smoothing proved itself capable of enhancing the SNR of images and maintaining boundary structures, with only moderate dependence of results on smoothing parameters. Our study suggests that anisotropic smoothing is more suitable in DTI studies; however, regardless of technique, a moderate level of smoothing seems to be preferable considering the artifacts introduced by this manipulation.
Claunch, Kevin M; Eggleston, Randy B; Baxter, Gary M
2014-11-15
To compare the effects of 2 approaches and 2 injection volumes on diffusion of mepivacaine hydrochloride for local analgesia of the deep branch of the lateral plantar nerve (DBLPN) in horses. Experimental study. 16 adult horses. Either 2 mL (low volume) or 8 mL (high volume) of mepivacaine hydrochloride-iohexol (50:50 mixture) was injected by means of 1 of 2 techniques to produce analgesia of the DBLPN. For technique 1, the needle was inserted 15 mm distal to the head of the fourth metatarsal bone and directed perpendicular to the limb. For technique 2, the needle was inserted 20 mm distal to the head of the fourth metatarsal bone and was directed in a proximodorsal direction. Lateromedial radiographs were obtained before and 5, 15, 30, and 60 minutes after injection. Radiographs were evaluated to determine the proximal and distal extent of diffusion of the contrast solution and presumably anesthetic agent and whether contrast agent appeared to be present in the tarsal sheath or tarsometatarsal joint. A high degree of variability in contrast solution diffusion was noted among injections. High-volume injections diffused significantly further proximally and distally than did low-volume injections. Contrast agent was documented within the tarsal sheath in 5 of 32 (16%) injections and within the tarsometatarsal joint in 2 of 32 (6%) injections. No significant difference was found for risk of inadvertent tarsal sheath or tarsometatarsal joint injection between the 2 techniques or the 2 volumes of anesthetic used. Mepivacaine diffused significantly further distally with technique 1 than with technique 2 but diffused significantly further proximally with technique 2 than with technique 1. For both techniques, diffusion in the distal but not the proximal direction significantly increased over time. Results indicated that the proximal and distal diffusion of the mepivacaine-iohexol solution was quite variable following either DBLPN nerve block technique.
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
Gadermann, Anne M; Sawatzky, Richard; Palepu, Anita; Hubley, Anita M; Zumbo, Bruno D; Aubry, Tim; Farrell, Susan; Hwang, Stephen W
2017-06-01
The purpose of this study was to examine whether homeless or vulnerably housed individuals experienced response shift over a 12-month time period in their self-reported physical and mental health status. Data were obtained from the Health and Housing in Transition study, a longitudinal multi-site cohort study in Canada (N = 1190 at baseline). Multi-group confirmatory factor analysis (MG-CFA) and methods for response shift detection at the item level, based on the approach by Oort, were used to test for reconceptualization, reprioritization, and recalibration response shift on the SF-12 in four groups of individuals who were homeless (n = 170), housed (n = 437), or who reported a change in their housing status [from homeless to housed (n = 285) or housed to homeless (n = 73)] over a 12-month time period. Mean and variance adjusted weighted-least squares estimation was used to accommodate the ordinal and binary distributions of the SF-12 items. Using MG-CFA, a strict invariance model showed that the measurement model was equivalent for the four groups at baseline. Although we found small but statistically significant response shift for several measurement model parameters, the impact on the predicted average mental and physical health scores within each of the groups was small. Response shift does not appear to be a significant concern when using the SF-12 to obtain change scores over a 12-month period in this population.
Lin, Guoxing
2016-11-21
Anomalous diffusion exists widely in polymer and biological systems. Pulsed-field gradient (PFG) techniques have been increasingly used to study anomalous diffusion in nuclear magnetic resonance and magnetic resonance imaging. However, the interpretation of PFG anomalous diffusion is complicated. Moreover, the exact signal attenuation expression including the finite gradient pulse width effect has not been obtained based on fractional derivatives for PFG anomalous diffusion. In this paper, a new method, a Mainardi-Luchko-Pagnini (MLP) phase distribution approximation, is proposed to describe PFG fractional diffusion. MLP phase distribution is a non-Gaussian phase distribution. From the fractional derivative model, both the probability density function (PDF) of a spin in real space and the PDF of the spin's accumulating phase shift in virtual phase space are MLP distributions. The MLP phase distribution leads to a Mittag-Leffler function based PFG signal attenuation, which differs significantly from the exponential attenuation for normal diffusion and from the stretched exponential attenuation for fractional diffusion based on the fractal derivative model. A complete signal attenuation expression Eα(-Dfbα,β(*)) including the finite gradient pulse width effect was obtained and it can handle all three types of PFG fractional diffusions. The result was also extended in a straightforward way to give a signal attenuation expression of fractional diffusion in PFG intramolecular multiple quantum coherence experiments, which has an n(β) dependence upon the order of coherence which is different from the familiar n(2) dependence in normal diffusion. The results obtained in this study are in agreement with the results from the literature. The results in this paper provide a set of new, convenient approximation formalisms to interpret complex PFG fractional diffusion experiments.
NASA Astrophysics Data System (ADS)
Lin, Guoxing
2016-11-01
Anomalous diffusion exists widely in polymer and biological systems. Pulsed-field gradient (PFG) techniques have been increasingly used to study anomalous diffusion in nuclear magnetic resonance and magnetic resonance imaging. However, the interpretation of PFG anomalous diffusion is complicated. Moreover, the exact signal attenuation expression including the finite gradient pulse width effect has not been obtained based on fractional derivatives for PFG anomalous diffusion. In this paper, a new method, a Mainardi-Luchko-Pagnini (MLP) phase distribution approximation, is proposed to describe PFG fractional diffusion. MLP phase distribution is a non-Gaussian phase distribution. From the fractional derivative model, both the probability density function (PDF) of a spin in real space and the PDF of the spin's accumulating phase shift in virtual phase space are MLP distributions. The MLP phase distribution leads to a Mittag-Leffler function based PFG signal attenuation, which differs significantly from the exponential attenuation for normal diffusion and from the stretched exponential attenuation for fractional diffusion based on the fractal derivative model. A complete signal attenuation expression Eα(-Dfbα,β * ) including the finite gradient pulse width effect was obtained and it can handle all three types of PFG fractional diffusions. The result was also extended in a straightforward way to give a signal attenuation expression of fractional diffusion in PFG intramolecular multiple quantum coherence experiments, which has an nβ dependence upon the order of coherence which is different from the familiar n2 dependence in normal diffusion. The results obtained in this study are in agreement with the results from the literature. The results in this paper provide a set of new, convenient approximation formalisms to interpret complex PFG fractional diffusion experiments.
Shin, Hyun Kyung; Choi, Bongsik; Talkner, Peter; Lee, Eok Kyun
2014-12-07
Based on the generalized Langevin equation for the momentum of a Brownian particle a generalized asymptotic Einstein relation is derived. It agrees with the well-known Einstein relation in the case of normal diffusion but continues to hold for sub- and super-diffusive spreading of the Brownian particle's mean square displacement. The generalized asymptotic Einstein relation is used to analyze data obtained from molecular dynamics simulations of a two-dimensional soft disk fluid. We mainly concentrated on medium densities for which we found super-diffusive behavior of a tagged fluid particle. At higher densities a range of normal diffusion can be identified. The motion presumably changes to sub-diffusion for even higher densities.
Brown, Susan D.; Unger Hu, Kirsten A.; Mevi, Ashley A.; Hedderson, Monique M.; Shan, Jun; Quesenberry, Charles P.; Ferrara, Assiamira
2014-01-01
The Multigroup Ethnic Identity Measure-Revised (MEIM-R), a brief instrument assessing affiliation with one’s ethnic group, is a promising advance in the ethnic identity literature. However, equivalency of its measurement properties across specific racial and ethnic groups should be confirmed before using it in diverse samples. We examined a) the psychometric properties of the MEIM-R including factor structure, measurement invariance, and internal consistency reliability, and b) levels of and differences in ethnic identity across multiple racial and ethnic groups and subgroups. Asian (n = 630), Black/African American (n = 58), Hispanic (n = 240), multiethnic (n = 160), and White (n = 375) women completed the MEIM-R as part of the “Gestational diabetes’ Effect on Moms” diabetes prevention trial in the Kaiser Permanente Northern California health care setting (N = 1,463; M age 32.5 years, SD = 4.9). Multiple-groups confirmatory factor analyses provided provisional evidence of measurement invariance, i.e., an equal, correlated two-factor structure, equal factor loadings, and equal item intercepts across racial and ethnic groups. Latent factor means for the two MEIM-R subscales, exploration and commitment, differed across groups; effect sizes ranging from small to large generally supported the notion of ethnic identity as more salient among people of color. Pending replication, good psychometric properties in this large and diverse sample of women support the future use of the MEIM-R. Preliminary evidence of measurement invariance suggests that the MEIM-R could be used to measure and compare ethnic identity across multiple racial and ethnic groups. PMID:24188656
Optimization of multi-group cross sections for fast reactor analysis
Chin, M. R.; Manalo, K. L.; Edgar, C. A.; Paul, J. N.; Molinar, M. P.; Redd, E. M.; Yi, C.; Sjoden, G. E.
2013-07-01
The selection of the number of broad energy groups, collapsed broad energy group boundaries, and their associated evaluation into collapsed macroscopic cross sections from a general 238-group ENDF/B-VII library dramatically impacted the k eigenvalue for fast reactor analysis. An analysis was undertaken to assess the minimum number of energy groups that would preserve problem physics; this involved studies using the 3D deterministic transport parallel code PENTRAN, the 2D deterministic transport code SCALE6.1, the Monte Carlo based MCNP5 code, and the YGROUP cross section collapsing tool on a spatially discretized MOX fuel pin comprised of 21% PUO{sub 2}-UO{sub 2} with sodium coolant. The various cases resulted in a few hundred pcm difference between cross section libraries that included the 238 multi-group reference, and cross sections rendered using various reaction and adjoint weighted cross sections rendered by the YGROUP tool, and a reference continuous energy MCNP case. Particular emphasis was placed on the higher energies characteristic of fission neutrons in a fast spectrum; adjoint computations were performed to determine the average per-group adjoint fission importance for the MOX fuel pin. This study concluded that at least 10 energy groups for neutron transport calculations are required to accurately predict the eigenvalue for a fast reactor system to within 250 pcm of the 238 group case. In addition, the cross section collapsing/weighting schemes within YGROUP that provided a collapsed library rendering eigenvalues closest to the reference were the contribution collapsed, reaction rate weighted scheme. A brief analysis on homogenization of the MOX fuel pin is also provided, although more work is in progress in this area. (authors)
PUFF-III: A Code for Processing ENDF Uncertainty Data Into Multigroup Covariance Matrices
Dunn, M.E.
2000-06-01
PUFF-III is an extension of the previous PUFF-II code that was developed in the 1970s and early 1980s. The PUFF codes process the Evaluated Nuclear Data File (ENDF) covariance data and generate multigroup covariance matrices on a user-specified energy grid structure. Unlike its predecessor, PUFF-III can process the new ENDF/B-VI data formats. In particular, PUFF-III has the capability to process the spontaneous fission covariances for fission neutron multiplicity. With regard to the covariance data in File 33 of the ENDF system, PUFF-III has the capability to process short-range variance formats, as well as the lumped reaction covariance data formats that were introduced in ENDF/B-V. In addition to the new ENDF formats, a new directory feature is now available that allows the user to obtain a detailed directory of the uncertainty information in the data files without visually inspecting the ENDF data. Following the correlation matrix calculation, PUFF-III also evaluates the eigenvalues of each correlation matrix and tests each matrix for positive definiteness. Additional new features are discussed in the manual. PUFF-III has been developed for implementation in the AMPX code system, and several modifications were incorporated to improve memory allocation tasks and input/output operations. Consequently, the resulting code has a structure that is similar to other modules in the AMPX code system. With the release of PUFF-III, a new and improved covariance processing code is available to process ENDF covariance formats through Version VI.
Reliability generalization of the Multigroup Ethnic Identity Measure-Revised (MEIM-R).
Herrington, Hayley M; Smith, Timothy B; Feinauer, Erika; Griner, Derek
2016-10-01
[Correction Notice: An Erratum for this article was reported in Vol 63(5) of Journal of Counseling Psychology (see record 2016-33161-001). The name of author Erika Feinauer was misspelled as Erika Feinhauer. All versions of this article have been corrected.] Individuals' strength of ethnic identity has been linked with multiple positive indicators, including academic achievement and overall psychological well-being. The measure researchers use most often to assess ethnic identity, the Multigroup Ethnic Identity Measure (MEIM), underwent substantial revision in 2007. To inform scholars investigating ethnic identity, we performed a reliability generalization analysis on data from the revised version (MEIM-R) and compared it with data from the original MEIM. Random-effects weighted models evaluated internal consistency coefficients (Cronbach's alpha). Reliability coefficients for the MEIM-R averaged α = .88 across 37 samples, a statistically significant increase over the average of α = .84 for the MEIM across 75 studies. Reliability coefficients for the MEIM-R did not differ across study and participant characteristics such as sample gender and ethnic composition. However, consistently lower reliability coefficients averaging α = .81 were found among participants with low levels of education, suggesting that greater attention to data reliability is warranted when evaluating the ethnic identity of individuals such as middle-school students. Future research will be needed to ascertain whether data with other measures of aspects of personal identity (e.g., racial identity, gender identity) also differ as a function of participant level of education and associated cognitive or maturation processes. (PsycINFO Database Record
Symmetry breaking in the opinion dynamics of a multi-group project organization
NASA Astrophysics Data System (ADS)
Zhu, Zhen-Tao; Zhou, Jing; Li, Ping; Chen, Xing-Guang
2012-10-01
A bounded confidence model of opinion dynamics in multi-group projects is presented in which each group's opinion evolution is driven by two types of forces: (i) the group's cohesive force which tends to restore the opinion back towards the initial status because of its company culture; and (ii) nonlinear coupling forces with other groups which attempt to bring opinions closer due to collaboration willingness. Bifurcation analysis for the case of a two-group project shows a cusp catastrophe phenomenon and three distinctive evolutionary regimes, i.e., a deadlock regime, a convergence regime, and a bifurcation regime in opinion dynamics. The critical value of initial discord between the two groups is derived to discriminate which regime the opinion evolution belongs to. In the case of a three-group project with a symmetric social network, both bifurcation analysis and simulation results demonstrate that if each pair has a high initial discord, instead of symmetrically converging to consensus with the increase of coupling scale as expected by Gabbay's result (Physica A 378 (2007) p. 125 Fig. 5), project organization (PO) may be split into two distinct clusters because of the symmetry breaking phenomenon caused by pitchfork bifurcations, which urges that apart from divergence in participants' interests, nonlinear interaction can also make conflict inevitable in the PO. The effects of two asymmetric level parameters are tested in order to explore the ways of inducing dominant opinion in the whole PO. It is found that the strong influence imposed by a leader group with firm faith on the flexible and open minded follower groups can promote the formation of a positive dominant opinion in the PO.
Brown, Susan D; Unger Hu, Kirsten A; Mevi, Ashley A; Hedderson, Monique M; Shan, Jun; Quesenberry, Charles P; Ferrara, Assiamira
2014-01-01
The Multigroup Ethnic Identity Measure-Revised (MEIM-R), a brief instrument assessing affiliation with one's ethnic group, is a promising advance in the ethnic identity literature. However, equivalency of its measurement properties across specific racial and ethnic groups should be confirmed before using it in diverse samples. We examined (a) the psychometric properties of the MEIM-R, including factor structure, measurement invariance, and internal consistency reliability, and (b) levels of and differences in ethnic identity across multiple racial and ethnic groups and subgroups. Asian (n = 630), Black/African American (n = 58), Hispanic (n = 240), multiethnic (n = 160), and White (n = 375) women completed the MEIM-R as part of the "Gestational diabetes' Effect on Moms" diabetes prevention trial in the Kaiser Permanente Northern California health care setting (N = 1,463; M age = 32.5 years, SD = 4.9). Multiple-groups confirmatory factor analyses provided provisional evidence of measurement invariance, i.e., an equal, correlated 2-factor structure, equal factor loadings, and equal item intercepts across racial and ethnic groups. Latent factor means for the 2 MEIM-R subscales, exploration and commitment, differed across groups; effect sizes ranging from small to large generally supported the notion of ethnic identity as more salient among people of color. Pending replication, good psychometric properties in this large and diverse sample of women support the future use of the MEIM-R. Preliminary evidence of measurement invariance suggests that the MEIM-R could be used to measure and compare ethnic identity across multiple racial and ethnic groups.
1DB-2DB-3DB: One-, Two-, Three-Dimensional Diffusion Code System for Nuclear Reactor Analysis
2007-07-01
1DB-2DB-3DB contains multipurpose, one-, two-, and three-dimensional diffusion theory codes for use in reactor analysis. 1DB is a one-dimensional (plane, cylinder, sphere), multigroup diffusion (and Sn) code. 2DB is a two-dimensional (X-Y, R-Z, R-theta, triangular), multigroup diffusion code. 3DB is a three-dimensional (X-Y-Z, R-theta-Z, Hex-Z), multigroup diffusion code. The codes can be used to: * Compute Keff using either a flux or an adjoint flux model, * Compute isotope burnup, and * Compute flux distributions for an extraneous source The codes read cross-section libraries in DTF format. Note that cross sections are not included in this package. This release replaces earlier versions previously distributed by RSICC as CCC-614/1DB, CCC-134/2DBS, and CCC-328/3DB (RSICC IDs: C614ALLCP00, C134U110800, and C328C000000).
Savoye, Sébastien; Page, Jacques; Puente, Céline; Imbert, Christophe; Coelho, Daniel
2010-05-15
The diffusion of tritiated water and anionic species was studied in an unsaturated core of Callovo-Oxfordian claystone, which is a potential host-rock for disposal of high-level radioactive wastes. The diffusion parameters in such conditions were determined using modified through-diffusion cells in which the suction is generated by the osmosis process. This specific device leads to values of saturation degree ranging from 81% to 100%. The results show that the diffusion through unsaturated samples is clearly slower than that in fully saturated samples, with steady-state fluxes decreasing by a factor up to 7 for tritium and up to 50 for anionic species. While tritium porosity values follow volumetric water contents (from 21 to 16%), the porosity accessible to anionic species significantly decreases (from 7.5 to 0.7%). Such diffusive behaviors have been modeled by means of a modified Archie's law, taking into account a critical water saturation below which no tracer can percolate. These results indicate that the largest pores, which are initially affected by dehydration, would play an important role on the connectivity of the porous medium. This would especially affect anionic species diffusion behavior because they are constrained to diffuse into the largest pores first.
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
Ford, W.E. III; Arwood, J.W.; Greene, N.M.; Petrie, L.M.; Primm, R.T. III; Waddell, M.W.; Webster, C.C.; Westfall, R.M.; Wright, R.Q.
1987-01-01
Multigroup P3 neutron, P0-P3 secondary gamma ray production (SGRP), and P6 gamma ray interaction (GRI) cross section libraries have been generated to support design work on the Advanced Neutron Source (ANS) reactor. The libraries, designated ANSL-V (Advanced Neutron Source Cross-Section Libraries), are data bases in a format suitable for subsequent generation of problem dependent cross sections. The ANSL-V libraries are available on magnetic tape from the Radiation Shielding Information Center at Oak Ridge National Laboratory.
Alsmiller, R.G. Jr.; Barnes, J.M.; Drischler, J.D.
1986-02-01
Multigroup cross sections (66 neutron groups and 22 photon groups) are described for neutron energies from thermal to 400 MeV. The elements considered are hydrogen, /sup 10/B, /sup 11/B, carbon, nitrogen, oxygen, sodium, magnesium, aluminum, silicon, sulfur, potassium, calcium, chromium, iron, nickel, tungsten, and lead. The cross section data presented are a revision of similar data presented previously. In the case of iron, transport calculations using the earlier and the revised cross sections are presented and compared, and significant differences are found. The revised cross sections are available from the Radiation Shielding information Center of the Oak Ridge National Laboratory. 32 refs., 5 figs., 3 tabs.
Alsmiller, R.G. Jr.; Barnes, J.M.; Drischler, J.D.
1986-01-01
For a variety of applications, e.g., accelerator shielding design, neutrons in radiotherapy, radiation damage studies, etc., it is necessary to carry out transport calculations involving medium-energy (greater than or equal to20 MeV) neutrons. A previous paper described neutron-photon multigroup cross sections in the ANISN format for neutrons from thermal to 400 MeV. In the present paper the cross-section data presented previously have been revised to make them agree with available experimental data. 7 refs., 1 fig.
NASA Astrophysics Data System (ADS)
Sánchez-Sesma, Francisco J.
2017-07-01
Microtremor H/ V spectral ratio (MHVSR) has gained popularity to assess the dominant frequency of soil sites. It requires measurement of ground motion due to seismic ambient noise at a site and a relatively simple processing. Theory asserts that the ensemble average of the autocorrelation of motion components belonging to a diffuse field at a given receiver gives the directional energy densities (DEDs) which are proportional to the imaginary parts of the Green's function components when both source and receiver are the same point and the directions of force and response coincide. Therefore, the MHVSR can be modeled as the square root of 2 × Im G 11/Im G 33, where Im G 11 and Im G 33 are the imaginary parts of Green's functions at the load point for the horizontal (sub-index 1) and vertical (sub-index 3) components, respectively. This connection has physical implications that emerge from the duality DED force and allows understanding the behavior of the MHVSR. For a given model, the imaginary parts of the Green's functions are integrals along a radial wavenumber. To deal with these integrals, we have used either the popular discrete wavenumber method or the Cauchy's residue theorem at the poles that account for surface waves normal modes giving the contributions due to Rayleigh and Love waves. For the retrieval of the velocity structure, one can minimize the weighted differences between observations and calculated values using the strategy of an inversion scheme. In this research, we used simulated annealing but other optimization techniques can be used as well. This last approach allows computing separately the contributions of different wave types. An example is presented for the mouth of Andarax River at Almería, Spain. [Figure not available: see fulltext.
In, Myung-Ho; Posnansky, Oleg; Speck, Oliver
2017-03-01
High-resolution diffusion-weighted imaging (DWI) has great potential to provide unique information about tissue microstructure in-vivo. Although single-shot echo-planar imaging (EPI) is a most popular tool for DWI, its application for high-resolution DWI is limited due to T2* blurring and susceptibility- and eddy-current-induced geometric distortions, especially at ultra-high field (UHF) such as 7T. In this study, we adapt a hybrid spin-warp and echo-planar encoding strategy inspired by point spread function (PSF) mapping and optimize it for high-resolution and distortion-free diffusion imaging applications. More specifically, a 2D navigator echo is added into the original sequence for shot-to-shot motion-induced phase error estimation and correction. The spatial encoding is shared between the PSF and the EPI phase encoding dimension allowing short echo trains to preserve the diffusion and navigator signals efficiently at UHF, where T2 decay is relatively fast. In addition, variable k-space spacing was applied in the PSF dimension and combined with parallel imaging in the EPI-PE dimension to further accelerate the PSF acquisition. The results demonstrate that this method can yield isotropic submillimeter resolution without T2* blurring and geometric distortions at 7T and enables a clear and detailed delineation of human brain structures in-vivo with the diffusion contrasts. In addition, results of the proposed approach for high-resolution diffusion imaging at 3T are presented.
Menezes, W. A.; Filho, H. A.; Barros, R. C.
2013-07-01
A generalization of the spectral Green's function (SGF) method is developed for multigroup, fixed-source, slab-geometry discrete ordinates (S{sub N}) problems with anisotropic scattering. The offered SGF method with the one-node block inversion (NBI) iterative scheme converges numerical solutions that are completely free from spatial truncation errors for multigroup slab-geometry S{sub N} problems with scattering anisotropy of order L, provided L < N. As a coarse-mesh numerical method, the SGF method generates numerical solutions that generally do not give detailed information on the problem solution profile, as the grid points can be located considerably away from each other. Therefore, presented here is a technique for the spatial reconstruction of the coarse-mesh solution generated by the multigroup SGF method. Numerical results are given to illustrate the method's accuracy. (authors)
Engelhorn, Tobias; Haider, Sultan; Michelson, Georg; Doerfler, Arnd
2010-10-01
Diffusion tensor imaging can depict rarefaction of the optical fibers. Manual segmentation is time consuming. The purposes of the study were (1) to present a new semiquantitative segmentation approach for analyzing 3-T diffusion tensor imaging of optical fibers and (2) to clinically test the new approach by comparing optic fiber rarefaction in patients with glaucoma to that in age-matched, healthy controls. To perform semiautomated and quantitative segmentation of the optical radiation, a Mathcad-based software program was developed. The results were compared to the manual evaluation of the images performed by two experienced neuroradiologists. The eyes of 42 subjects (22 patients with glaucoma and 20 controls) aged 37 to 86 years were assessed in full ophthalmologic examinations. Magnetic resonance imaging was performed using a 3-T high-field scanner. The evaluation using the new approach matched 94% with manually acquired rarefaction of the optical radiation; Cronbach's α was >0.81 for calculation of the manually and semiautomatically derived volumes. The new approach seems to be robust and is clearly faster compared to the more tedious manual segmentation. Using diffusion tensor imaging at 3 T, it could be shown that there was increasing atrophy of the optical radiation (fourth neuron) with increasing age in patients with glaucoma. Compared to age-matched, healthy patients, more pronounced atrophy of the fourth neuron was found in patients with glaucoma. Copyright © 2010 AUR. Published by Elsevier Inc. All rights reserved.
White, J.E.; Wright, R.Q.; Roussin, R.W.; Ingersoll, D.T.
1992-11-01
This report discusses specifications which have been developed for a new multigroup cross section library based on ENDF/B-VI data for light water reactor shielding and reactor pressure vessel dosimetry applications. The resulting broad-group library and an intermediate fine-group library are defined by the specifications provided in this report. Processing ENDF/B-VI into multigroup format for use in radiation transport codes will provide radiation shielding analysts with the most currently available nuclear data. it is expected that the general nature of the specifications will be useful in other applications such as reactor physics.
Ruvolo Junior, Eduardo; Kollias, Nikiforos; Cole, Curtis
2014-08-01
In the past 56 years, many different in vitro methodologies have been developed and published to assess the sun protection factor (SPF) of products, but there is no method that has 1:1 correlation with in vivo measurements. Spectroscopic techniques have been used to noninvasively assess the UVA protection factor with good correlation to in vivo UVA-PF methodologies. To assess the SPF of sunscreen product by diffuse reflectance spectroscopy (DRS) technique, it is necessary to also determine the absorbance spectrum of the test material in the UVB portion of the spectrum (290-320 nm). However, because of the high absorbance characteristics of the stratum corneum and epidermis, the human skin does not remit enough UVB radiation to be used to measure the absorption spectrum of the applied product on skin. In this work, we present a new method combining the evaluation of the absolute UVA absorption spectrum, as measured by DRS with the spectral absorbance 'shape' of the UVB absorbance of the test material as determined with current in vitro thin film spectroscopy. The measurement of the in vivo UVA absorption spectrum involves the assessment of the remitted intensity of monochromatic UVA radiation (320-400 nm) before and after a sunscreen product was applied on skin using a spectrofluorimeter Fluorolog 3, FL3-22 (Yvon Horiba, Edison, NJ, USA). The probe geometry assures that light scattering products as well as colored products may be correctly assessed. This methodology has been extensively tested, validated, and reported in the literature. The in vitro absorption spectrum of the sunscreen samples and polyvinyl chloride (PVC) films 'surrogate' sunscreen standards were measured using Labsphere® UV-2000S (Labsphere, North Sutton, NH, USA). Sunscreens samples were tested using PMMA Helioplates (Helioscience, Marseille, France) as substrates. The UVB absorbance spectrum (Labsphere) is 'attached' to the UVA absorbance spectrum (diffuse reflectance) with the UVB
a New ENDF/B-VII.0 Based Multigroup Cross-Section Library for Reactor Dosimetry
NASA Astrophysics Data System (ADS)
Alpan, F. A.; Anderson, S. L.
2009-08-01
The latest of the ENDF/B libraries, ENDF/B-VII.0 was released in December 2006. In this paper, the ENDF/B-VII.O evaluations were used in generating a new coupled neutron/gamma multigroup library having the same group structure of VITAMIN-B6, i.e., the 199-neutron, 42-gamma group library. The new library was generated utilizing NJOY99.259 for pre-processing and the AMPX modules for post-processing of cross sections. An ENDF/B-VI.3 based VITAMIN-B6-like library was also generated. The fine-group libraries and the ENDF/B-VI.3 based 47-neutron, 20-gamma group BUGLE-96 library were used with the discrete ordinates code DORT to obtain a three-dimensional synthesized flux distribution from r, r-θ, and r-z models for a standard Westinghouse 3-loop design reactor. Reaction rates were calculated for ex-vessel neutron dosimetry containing 63Cu(n,α)60Co, 46Ti(n,p)46Sc, 54Fe(n,P)54Mn, 58Ni(n,P)58Co, 238U(n,f)137Cs, 237Np(n,f)137Cs, and 59Co(n,γ)60Co (bare and cadmium covered) reactions. Results were compared to measurements. In comparing the 199-neutron, 42-gamma group ENDF/B-VI.3 and ENDF/B-VII.O libraries, it was observed that the ENDF/B-VI.3 based library results were in better agreement with measurements. There is a maximum difference of 7% (for the 63Cu(n,α)60Co reaction rate calculation) between ENDF/B-VI.3 and ENDF/B-VII.O. Differences between ENDF/B-VI.3 and ENDF/B-VII.O libraries are due to 16O, 1H, 90Zr, 91Zr, 92Zr, 238U, and 239Pu evaluations. Both ENDF/B-VI.3 and ENDF/B-VII.O library calculated reaction rates are within 20% of measurement and meet the criterion specified in the U. S. Nuclear Regulatory Commission Regulatory Guide 1.190, "Calculational and Dosimetry Methods for Determining Pressure Vessel Neutron Fluence."
An Automatic Detection System of Lung Nodule Based on Multi-Group Patch-Based Deep Learning Network.
Jiang, Hongyang; Ma, He; Qian, Wei; Gao, Mengdi; Li, Yan
2017-07-14
High-efficiency lung nodule detection dramatically contributes to the risk assessment of lung cancer. It is a significant and challenging task to quickly locate the exact positions of lung nodules. Extensive work has been done by researchers around this domain for approximately two decades. However, previous computer aided detection (CADe) schemes are mostly intricate and time-consuming since they may require more image processing modules, such as the computed tomography (CT) image transformation, the lung nodule segmentation and the feature extraction, to construct a whole CADe system. It is difficult for those schemes to process and analyze enormous data when the medical images continue to increase. Besides, some state of the art deep learning schemes may be strict in the standard of database. This study proposes an effective lung nodule detection scheme based on multi-group patches cut out from the lung images, which are enhanced by the Frangi filter. Through combining two groups of images, a four-channel convolution neural networks (CNN) model is designed to learn the knowledge of radiologists for detecting nodules of four levels. This CADe scheme can acquire the sensitivity of 80.06% with 4.7 false positives per scan and the sensitivity of 94% with 15.1 false positives per scan. The results demonstrate that the multi-group patch-based learning system is efficient to improve the performance of lung nodule detection and greatly reduce the false positives under a huge amount of image data.
Jin, Shaobo; Yang-Wallentin, Fan; Christoffersson, Anders
2015-05-15
A multi-group factor model is suitable for data originating from different strata. However, it often requires a relatively large sample size to avoid numerical issues such as non-convergence and non-positive definite covariance matrices. An alternative is to pool data from different groups in which a single-group factor model is fitted to the pooled data using maximum likelihood. In this paper, properties of pseudo-maximum likelihood (PML) estimators for pooled data are studied. The pooled data are assumed to be normally distributed from a single group. The resulting asymptotic efficiency of the PML estimators of factor loadings is compared with that of the multi-group maximum likelihood estimators. The effect of pooling is investigated through a two-group factor model. The variances of factor loadings for the pooled data are underestimated under the normal theory when error variances in the smaller group are larger. Underestimation is due to dependence between the pooled factors and pooled error terms. Small-sample properties of the PML estimators are also investigated using a Monte Carlo study.
Raiteri, Paolo; Gale, Julian D; Bussi, Giovanni
2011-08-24
A new reactive force field to describe proton diffusion within the solid oxide fuel cell material BaZrO(3) has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe hydroxyl groups within both pure and yttrium-doped BaZrO(3) have been determined. Reactivity is then incorporated through the use of the empirical valence bond model. Molecular dynamics simulations (EVB-MD) have been performed to explore the diffusion of hydrogen using a stochastic thermostat and barostat whose equations are extended to the isostress-isothermal ensemble. In the low concentration limit, the presence of yttrium is found not to significantly influence the diffusivity of hydrogen, despite the proton having a longer residence time at oxygen adjacent to the dopant. This lack of influence is due to the fact that trapping occurs infrequently, even when the proton diffuses through octahedra adjacent to the dopant. The activation energy for diffusion is found to be 0.42 eV, in good agreement with experimental values, though the prefactor is slightly underestimated.
Oikawa, Yasuhiro; Eguchi, Yawara; Watanabe, Atsuya; Orita, Sumihisa; Yamauchi, Kazuyo; Suzuki, Miyako; Sakuma, Yoshihiro; Kubota, Go; Inage, Kazuhide; Sainoh, Takeshi; Sato, Jun; Fujimoto, Kazuki; Koda, Masao; Furuya, Takeo; Matsumoto, Koji; Masuda, Yoshitada; Aoki, Yasuchika; Takahashi, Kazuhisa; Ohtori, Seiji
2017-04-07
Recently, lateral interbody fusion (LIF) has become more prevalent, and evaluation of lumbar nerves has taken on new importance. We report on the assessment of anatomical relationships between lumbar nerves and vertebral bodies using diffusion tensor imaging (DTI). Fifty patients with degenerative lumbar disease and ten healthy subjects underwent DTI. In patients with lumbar degenerative disease, we studied nerve courses with patients in the supine positions and with hips flexed. In healthy subjects, we evaluated nerve courses in three different positions: supine with hips flexed (the standard position for MRI); supine with hips extended; and the right lateral decubitus position with hips flexed. In conjunction with tractography from L3 to L5 using T2-weighted sagittal imaging, the vertebral body anteroposterior span was divided into four equally wide zones, with six total zones defined, including an anterior and a posterior zone (zone A, zones 1-4, zone P). We used this to characterize nerve courses at disc levels L3/4, L4/5, and L5/S1. In patients with degenerative lumbar disease, in the supine position with hips flexed, all lumbar nerve roots were located posterior to the vertebral body centers in L3/4 and L4/5. In healthy individuals, the L3/4 nerve courses were displaced forward in hips extended compared with the standard position, whereas in the lateral decubitus position, the L4/5 and L5/S nerve courses were displaced posteriorly compared with the standard position. The L3/4 and L4/5 nerve roots are located posterior to the vertebral body center. These were found to be offset to the rear when the hip is flexed or the lateral decubitus position is assumed. The present study is the first to elucidate changes in the course of the lumbar nerves as this varies by position. The lateral decubitus position or the position supine with hips flexed may be useful for avoiding nerve damage in a direct lateral transpsoas approach. Preoperative DTI seems to be useful in
A New Method for the Calculation of Diffusion Coefficients with Monte Carlo
NASA Astrophysics Data System (ADS)
Dorval, Eric
2014-06-01
This paper presents a new Monte Carlo-based method for the calculation of diffusion coefficients. One distinctive feature of this method is that it does not resort to the computation of transport cross sections directly, although their functional form is retained. Instead, a special type of tally derived from a deterministic estimate of Fick's Law is used for tallying the total cross section, which is then combined with a set of other standard Monte Carlo tallies. Some properties of this method are presented by means of numerical examples for a multi-group 1-D implementation. Calculated diffusion coefficients are in general good agreement with values obtained by other methods.
Penington, Catherine J; Hughes, Barry D; Landman, Kerry A
2011-10-01
A discrete agent-based model on a periodic lattice of arbitrary dimension is considered. Agents move to nearest-neighbor sites by a motility mechanism accounting for general interactions, which may include volume exclusion. The partial differential equation describing the average occupancy of the agent population is derived systematically. A diffusion equation arises for all types of interactions and is nonlinear except for the simplest interactions. In addition, multiple species of interacting subpopulations give rise to an advection-diffusion equation for each subpopulation. This work extends and generalizes previous specific results, providing a construction method for determining the transport coefficients in terms of a single conditional transition probability, which depends on the occupancy of sites in an influence region. These coefficients characterize the diffusion of agents in a crowded environment in biological and physical processes.
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.
Multi-Group Analysis of Nuclear Reactors in Three Space Dimensions
1960-04-20
conditions. For each energy group, g, the program computes 0 , the neutron flux , by a numerical approximation to the age-diffusion equation. When 0...program computes • , the neutron flux , by a numerical approximation to the age-diffusion equation. When (p has been calculated for all groups, the...average flux for each of the different composition regions of the mesh for each group, and e. The number of fissions per source neutron (f), and the
NASA Astrophysics Data System (ADS)
Chechkin, Aleksei V.; Seno, Flavio; Metzler, Ralf; Sokolov, Igor M.
2017-04-01
A growing number of biological, soft, and active matter systems are observed to exhibit normal diffusive dynamics with a linear growth of the mean-squared displacement, yet with a non-Gaussian distribution of increments. Based on the Chubinsky-Slater idea of a diffusing diffusivity, we here establish and analyze a minimal model framework of diffusion processes with fluctuating diffusivity. In particular, we demonstrate the equivalence of the diffusing diffusivity process with a superstatistical approach with a distribution of diffusivities, at times shorter than the diffusivity correlation time. At longer times, a crossover to a Gaussian distribution with an effective diffusivity emerges. Specifically, we establish a subordination picture of Brownian but non-Gaussian diffusion processes, which can be used for a wide class of diffusivity fluctuation statistics. Our results are shown to be in excellent agreement with simulations and numerical evaluations.
Diffusing diffusivity: Rotational diffusion in two and three dimensions
NASA Astrophysics Data System (ADS)
Jain, Rohit; Sebastian, K. L.
2017-06-01
We consider the problem of calculating the probability distribution function (pdf) of angular displacement for rotational diffusion in a crowded, rearranging medium. We use the diffusing diffusivity model and following our previous work on translational diffusion [R. Jain and K. L. Sebastian, J. Phys. Chem. B 120, 3988 (2016)], we show that the problem can be reduced to that of calculating the survival probability of a particle undergoing Brownian motion, in the presence of a sink. We use the approach to calculate the pdf for the rotational motion in two and three dimensions. We also propose new dimensionless, time dependent parameters, αr o t ,2 D and αr o t ,3 D, which can be used to analyze the experimental/simulation data to find the extent of deviation from the normal behavior, i.e., constant diffusivity, and obtain explicit analytical expressions for them, within our model.
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…
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…
Kashyap, Ridhi; Villavicencio, Francisco
2016-10-01
We present a micro-founded simulation model that formalizes the "ready, willing, and able" framework, originally used to explain historical fertility decline, to the practice of prenatal sex selection. The model generates sex ratio at birth (SRB) distortions from the bottom up and attempts to quantify plausible levels, trends, and interactions of son preference, technology diffusion, and fertility decline that underpin SRB trajectories at the macro level. Calibrating our model for South Korea, we show how even as the proportion with a preference for sons was declining, SRB distortions emerged due to rapid diffusion of prenatal sex determination technology combined with small but growing propensities to abort at low birth parities. Simulations reveal that relatively low levels of son preference (about 20 % to 30 % wanting one son) can result in skewed SRB levels if technology diffuses early and steadily, and if fertility falls rapidly to encourage sex-selective abortion at low parities. Model sensitivity analysis highlights how the shape of sex ratio trajectories is particularly sensitive to the timing and speed of prenatal sex-determination technology diffusion. The maximum SRB levels reached in a population are influenced by how the readiness to abort rises as a function of the fertility decline.
ERIC Educational Resources Information Center
Sideridis, Georgios D.; Tsaousis, Ioannis; Al-harbi, Khaleel A.
2015-01-01
The purpose of the present study was to extend the model of measurement invariance by simultaneously estimating invariance across multiple populations in the dichotomous instrument case using multi-group confirmatory factor analytic and multiple indicator multiple causes (MIMIC) methodologies. Using the Arabic version of the General Aptitude Test…
1990-11-20
Version 00 REX2-87 is a computer code developed for the calculation of self-shielded multigroup average cross sections, and self-shielding factors for total, elastic, fission and capture processes from an ENDF/B formatted nuclear data file in which the tabulated cross sections follow linear interpolation throughout.
Hyun, Jung Keun
2014-01-01
Diffusion Tensor Imaging (DTI) uses in vivo images that describe extracellular structures by measuring the diffusion of water molecules. These images capture axonal movement and orientation using echo-planar imaging and provide critical information for evaluating lesions and structural damage in the central nervous system. This information can be used for prediction of Spinal Cord Injuries (SCIs) and for assessment of patients who are recovering from such injuries. In this paper, we propose a classification scheme for identifying healthy individuals and patients. In the proposed scheme, a dataset is first constructed from DTI images, after which the constructed dataset undergoes feature selection and classification. The experiment results show that the proposed scheme aids in the diagnosis of SCIs. PMID:24575150
Serra, Tânia Quinás; Morais, João; Gonçalves, Zico; Agostinho, Francisco; Melo, Gilberto; Henriques, Mónica
2017-01-01
Pigmented villonodular synovitis (PVNS) is a rare proliferative disorder of the synovial membrane. This condition is usually monoarticular, can be locally destructive, and involves muscles, tendons, bursae, bones, and skin. The most commonly affected joints are the knee and hip, followed by the ankle and shoulder. Patients often present with pain, swelling, and joint effusion; however, the duration of symptoms varies. Total synovectomy is the preferred treatment for PVNS. Subtotal synovectomy is a factor of recurrence, and in diffuse PVNS, total excision is very difficult to achieve. Radiotherapy may have an adjunctive role, particularly in incomplete resection or as a treatment of salvation in recurrent cases. This treatment modality has low toxicity levels and enables satisfactory joint function. This is a case report of a rare case of diffuse PVNS of the shoulder that was treated with partial arthroscopic synovectomy and adjuvant radiotherapy. A 74-year-old male patient presented with gradual onset pain, hemarthrosis, and functional impairment of the right shoulder without previous trauma history. Magnetic resonance imaging of the shoulder demonstrated a diffuse synovial thickening that was compatible with PVNS and rotator cuff destruction. The lesion was partially excised by arthroscopy. The patient underwent adjuvant radiation therapy with a total dose of 40 Gy/20 fractions/4 weeks. At the final follow-up, i.e., 1 month after treatment, the patient had increased shoulder mobility and no pain, with a mild change in cutaneous pigmentation. Radiation therapy is safe and effective in treating and preventing recurrence of diffuse PVNS, particularly after incomplete synovectomy. PMID:28638690
Serra, Tânia Quinás; Morais, João; Gonçalves, Zico; Agostinho, Francisco; Melo, Gilberto; Henriques, Mónica
2017-06-01
Pigmented villonodular synovitis (PVNS) is a rare proliferative disorder of the synovial membrane. This condition is usually monoarticular, can be locally destructive, and involves muscles, tendons, bursae, bones, and skin. The most commonly affected joints are the knee and hip, followed by the ankle and shoulder. Patients often present with pain, swelling, and joint effusion; however, the duration of symptoms varies. Total synovectomy is the preferred treatment for PVNS. Subtotal synovectomy is a factor of recurrence, and in diffuse PVNS, total excision is very difficult to achieve. Radiotherapy may have an adjunctive role, particularly in incomplete resection or as a treatment of salvation in recurrent cases. This treatment modality has low toxicity levels and enables satisfactory joint function. This is a case report of a rare case of diffuse PVNS of the shoulder that was treated with partial arthroscopic synovectomy and adjuvant radiotherapy. A 74-year-old male patient presented with gradual onset pain, hemarthrosis, and functional impairment of the right shoulder without previous trauma history. Magnetic resonance imaging of the shoulder demonstrated a diffuse synovial thickening that was compatible with PVNS and rotator cuff destruction. The lesion was partially excised by arthroscopy. The patient underwent adjuvant radiation therapy with a total dose of 40 Gy/20 fractions/4 weeks. At the final follow-up, i.e., 1 month after treatment, the patient had increased shoulder mobility and no pain, with a mild change in cutaneous pigmentation. Radiation therapy is safe and effective in treating and preventing recurrence of diffuse PVNS, particularly after incomplete synovectomy.
Tredenick, Eloise C.; Farrell, Troy W.; Forster, W. Alison; Psaltis, Steven T. P.
2017-01-01
The agricultural industry requires improved efficacy of sprays being applied to crops and weeds in order to reduce their environmental impact and deliver improved financial returns. Enhanced foliar uptake is one means of improving efficacy. The plant leaf cuticle is known to be the main barrier to diffusion of agrochemicals within the leaf. The usefulness of a mathematical model to simulate uptake of agrochemicals in plant cuticles has been noted previously in the literature, as the results of each uptake experiment are specific to each formulation of active ingredient, plant species and environmental conditions. In this work we develop a mathematical model and numerical simulation for the uptake of hydrophilic ionic agrochemicals through aqueous pores in plant cuticles. We propose a novel, nonlinear, porous diffusion model for ionic agrochemicals in isolated cuticles, which extends simple diffusion through the incorporation of parameters capable of simulating: plant species variations, evaporation of surface droplet solutions, ion binding effects on the cuticle surface and swelling of the aqueous pores with water. We validate our theoretical results against appropriate experimental data, discuss the key sensitivities in the model and relate theoretical predictions to appropriate physical mechanisms. Major influencing factors have been found to be cuticle structure, including tortuosity and density of the aqueous pores, and to a lesser extent humidity and cuticle surface ion binding effects. PMID:28539930
White, J.E.; Ingersoll, D.T.; Slater, C.O.; Roussin, R.W.
1996-05-01
A revised multigroup cross-section library based ON ENDF/B-VI Release 3 has been produced for light water reactor shielding and reactor pressure vessel dosimetry applications. This new broad-group library, which is designated BUGLE-96, represents an improvement over the BUGLE-93 library released in February 1994 and is expected to replace te BUGLE-93 data. The cross-section processing methodology is the same as that used for producing BUGLE-93 and is consistent with ANSI/ANS 6.1.2. As an added feature, cross-section sets having upscatter data for four thermal neutron groups are included in the BUGLE-96 package available from the Radiation Shielding Information Center. The upscattering data should improve the application of this library to the calculation of more accurate thermal fluences, although more computer time will be required. The incorporation of feedback from users has resulted in a data library that addresses a wider spectrum of user needs.
MACFARLANE, ROBERT E.
1995-06-01
Version 04 The NJOY nuclear data processing system is a comprehensive computer code package for producing pointwise and multigroup neutron and photon cross sections from ENDF/B evaluated nuclear data. This is the last NJOY-91 series. It uses the same module structure as the earlier versions and its graphics options depend on DISSPLA. This new release, designated NJOY91.119, includes bug fixes, improvements in several modules, and some new capabilities. Information on the changes is included in the README file. A new test problem was added to test some ENDF-6 features, including Reich-Moore resonance reconstruction, energy-angle matrices in GROUPR, and energy-angle distributions in ACER. The 91.119 release is basically configured for UNIX.
Gunnink, R
1990-04-03
Nondestructive measurements of x-ray and gamma-ray emissions can be used to analyze a sample for plutonium. This report describes the methods and algorithms we have developed for analyzing gamma-ray spectra obtained by using a germanium detector system to accurately determine the relative abundances of various actinide isotopes in a sample. Our methodology requires no calibrations and can be used to measure virtually any size and type of plutonium sample. Measurement times can be as short as a few minutes; measurements are frequently accurate to within 1%. Our methods have been programmed into a computerized analysis code called MGA (Multi-Group Analysis). Our current versions can be run on personal computers (IBM type) and on the DEC VAX microcomputer. Spectral analysis times are usually far less than a minute. 28 refs., 26 figs., 1 tab.
A Multi-Group Latent Class Analysis of Chronic Medical Conditions Among Men Who Have Sex with Men.
Swartz, James A
2016-10-01
Until recently, research on the health of gay and other men who have sex with men (MSM) has focused on risk for and the health consequences of HIV and other sexually transmitted infections. A multigroup latent class analysis examined a range of lifetime chronic medical conditions (CMCs) among MSM. Covariates included sociodemographics, substance use, psychological distress, and HIV serostatus. A two-class model best fit the medical condition data: a low probabilities class for most CMCs and a moderate to high probabilities (MHP) class. HIV serostatus was associated with increased within-class probabilities for some CMCs, particularly gastrointestinal and skin disorders. Only increasing age and use of erectile dysfunction drugs were directly associated with increased odds of being in the MHP class whereas methamphetamine use, identifying as gay, and lower alcohol use were indirectly associated. Implications of the findings for future research and the health care needs of MSM are discussed.
Dembo, Richard; Briones-Robinson, Rhissa; Ungaro, Rocio; Karas, Lora; Gulledge, Laura; Greenbaum, Paul E.; Schmeidler, James; Winters, Ken C.; Belenko, Steven
2011-01-01
Baseline data collected in two brief intervention projects (BI-Court and Truancy Project) were used to assess similarities and differences in subgroups of at-risk youth. Classifications of these subgroups were based on their psychosocial characteristics (e.g., substance use). Multi-group latent class analysis (LCA) identified two BI-Court subgroups of youth, and three Truant subgroups. These classes can be viewed as differing along two dimensions, substance use involvement and emotional/behavioral issues. Equality tests of means across the latent classes for BI-Court and Truancy Project youths found significant differences that were consistent with their problem group classification. These findings highlight the importance of quality assessments and allocating appropriate services based on problem profiles of at-risk youth. PMID:21966055
Aragon, Stephen J; Gesell, Sabina B
2003-01-01
This investigation tested the patient-centered Primary Provider Theory of Patient Satisfaction across gender in national random samples of emergency patients. Using multigroup structural equation modeling, the results supported the model's robustness. Physician service, waiting time, and nursing satisfaction explained 48%, 41%, and 11% of overall satisfaction plus 92% and 93% of female and male satisfaction, respectively. Unit increases in physician service satisfaction increased waiting time, nursing, and overall satisfaction by 0.991, 0.844, and 1.031 units, respectively. Unit increases in waiting time satisfaction increased nursing and overall satisfaction by 0.417 and 0.685 units, respectively. A unit increase in nursing satisfaction increased overall service satisfaction by 0.221 units. The investigation offers an alternative paradigm for measuring and achieving emergency department satisfaction, hierarchically related to patient expectations, where the primary provider has the greatest clinical utility to patients, followed by waiting for the primary provider, and then by nursing service.
Roussin, R.; Menapace, E.
1994-10-01
Subgroup 7 of the NEA NSC WP-IEC simulated interest in processing data from various international and regional evaluated cross-section libraries into the 174n, 42g VITAMIN-J multigroup energy for the purpose of intercomparison. Cooperation and participation came from numerous installations around the world. Most processing was done with the NJOY system, but some independent contributions were provided. At the WP-IEC meeting in June 1993, many contributions to the effort were described and the exercise proved to be useful from several aspects. It was decided to expand the role of the temporary subgroup into a long term subgroup to look at both format and processing problems. A summary of the progress of Subgroup 7 is provided and the objective and scope of the new entity, Subgroup B, is reported.
An improved and fully implicit multi-group non-local electron transport model and its validations
NASA Astrophysics Data System (ADS)
Sijoy, C. D.; Mishra, V.; Chaurasia, S.
2017-09-01
The combined effect of thermal flux inhibition and non-local electron heat flux in the radiation hydrodynamics (RHD) simulation of laser-driven systems can be accurately predicted by using non-local electron transport (NLET) models. These models can avoid commonly used space and time-independent ad-hoc flux-limiting procedures. However, the use of classical electron collision frequency in these models is rigorously valid for high temperature non-degenerate plasmas. In laser-driven systems, the electron thermal energy transport is important in regions between the critical density and ablation surface where the plasma is partially degenerate. Therefore, an improved model for electron collision frequency in this regime is required to accurately predict the thermal energy transport. Previously, we have reported an improved single group non-local electron transport model by using a wide-range electron collision frequency model valid from warm-dense matter (WDM) to fully ionized plasmas. In this work, we have extended this idea into a two-dimensional multi-group non-local electron transport (MG-NLET) model. Moreover, we have used a fully implicit numerical integration scheme in which the models for multi-group thermal radiation transport, laser absorption, electron-ion thermal energy relaxation and ion heat conduction are included in a single step. The performance of this improved MG-NLET model has been assessed by comparing the simulated foil trajectories with the reported experimental data for laser-driven plastic foils. The results indicate that the improved model yields results that are in better agreement with the experimental data.
2016-10-01
Reports an error in "Reliability Generalization of the Multigroup Ethnic Identity Measure-Revised (MEIM-R)" by Hayley M. Herrington, Timothy B. Smith, Erika Feinauer and Derek Griner (Journal of Counseling Psychology, Advanced Online Publication, Mar 17, 2016, np). The name of author Erika Feinauer was misspelled as Erika Feinhauer. All versions of this article have been corrected. (The following abstract of the original article appeared in record 2016-13160-001.) Individuals' strength of ethnic identity has been linked with multiple positive indicators, including academic achievement and overall psychological well-being. The measure researchers use most often to assess ethnic identity, the Multigroup Ethnic Identity Measure (MEIM), underwent substantial revision in 2007. To inform scholars investigating ethnic identity, we performed a reliability generalization analysis on data from the revised version (MEIM-R) and compared it with data from the original MEIM. Random-effects weighted models evaluated internal consistency coefficients (Cronbach's alpha). Reliability coefficients for the MEIM-R averaged α = .88 across 37 samples, a statistically significant increase over the average of α = .84 for the MEIM across 75 studies. Reliability coefficients for the MEIM-R did not differ across study and participant characteristics such as sample gender and ethnic composition. However, consistently lower reliability coefficients averaging α = .81 were found among participants with low levels of education, suggesting that greater attention to data reliability is warranted when evaluating the ethnic identity of individuals such as middle-school students. Future research will be needed to ascertain whether data with other measures of aspects of personal identity (e.g., racial identity, gender identity) also differ as a function of participant level of education and associated cognitive or maturation processes. (PsycINFO Database Record
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.
Rajeswarie, R T; Rao, Shilpa; Nandeesh, Bevinahalli N; Yasha, T Chickabasaviah; Santosh, Vani
2017-08-11
The WHO 2016 classification of diffuse gliomas combines histological and molecular parameters for diagnosis. However, in view of cost constraints for molecular testing, an economical working formula is essential to reach a meaningful diagnosis in a resource-limited setting. The aim of this study was to establish a practical algorithmic approach using histology and immunohistochemistry (IHC) in the classification of diffuse gliomas in such a set-up. Diffuse gliomas of WHO grade II and III diagnosed in our institute in the year 2016 were analysed for histological and IHC features, using the markers isocitrate dehydrogenase 1 (IDH1R132H) and α thalassemia/mental retardation syndrome X-linked gene (ATRX). Fluorescence in situ hybridisation (FISH) for 1p/19q co-deletion was performed when requested. 449 diffuse gliomas (grades II/III) were included in the study. Integrating histology and IHC features, as per the WHO 2016 guidelines, we derived the following groups: Astrocytoma, IDH-mutant (A,IDH-mt, 37.2%); astrocytoma, not otherwise specified (A,NOS, 12.7%); oligoastrocytoma, NOS (OA,NOS, 4.5%); and oligodendroglioma, NOS (ODG,NOS, 45.6%). FISH was performed in a subset of ODG,NOS, OA,NOS and A,NOS gliomas. This revealed 1p/19q co-deletion in all cases of ODG,NOS, 15.8% of OA,NOS and 37.5% of A,NOS. Sequencing for rare IDH 1/2 mutations was not carried out in this study. In a resource-limited set-up, histology with IHC (IDH1(R132H) and ATRX) form the baseline to reasonably derive four histomolecular subgroups of diffuse glioma. Of these, we recommend, OA,NOS and IDH1(R132H)-non-mt ODG,NOS to be our priority for performing 1p/19q co-deletion studies in comparison to IDH-mt ODG,NOS, and it would not be mandatory for astrocytoma. Sequencing for rare IDH mutations is advised for A,NOS and OA,NOS groups, but not for the IDH1(R132H)-non-mutant diffuse gliomas with 1p/19q co-deletion. © Article author(s) (or their employer(s) unless otherwise stated in the text of the
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
2015-01-01
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
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. Copyright © 2015 Elsevier Inc. All rights reserved.
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.
Bächle, Josua; Berghold, Martin; Landgraf, Stephan; Grampp, Günter
2017-02-24
We introduce a binary system of two ionic liquids 1-ethyl-3-methyl-imidazolium and tri-octyl-methyl-ammonium bis-trifluoromethylsulfonyl-imide (emim and oma NTf2) with varying molar fractions. It allows to keep the dynamic viscosity constant over a theoretical range of almost 60 K which means that any activated process can be studied independent of the temperature dependence of viscosity itself. We proved this principle upon reinvestigated electron self-exchange kinetics of tetrathiafulvalene by CW-ESR line broadening experiments. From this we could additionally confirm that this process is in fact totally diffusion controlled.
Devpura, Suneetha; Pattamadilok, Bensachee; Syed, Zain U; Vemulapalli, Pranita; Henderson, Marsha; Rehse, Steven J; Hamzavi, Iltefat; Lim, Henry W; Naik, Ratna
2011-06-01
Quantification of skin changes due to acanthosis nigricans (AN), a disorder common among insulin-resistant diabetic and obese individuals, was investigated using two optical techniques: diffuse reflectance spectroscopy (DRS) and colorimetry. Measurements were obtained from AN lesions on the neck and two control sites of eight AN patients. A principal component/discriminant function analysis successfully differentiated between AN lesion and normal skin with 87.7% sensitivity and 94.8% specificity in DRS measurements and 97.2% sensitivity and 96.4% specificity in colorimetry measurements.
Noble, Richard A.; Bell, Natalie; Blair, Helen; Sikka, Arti; Thomas, Huw; Phillips, Nicole; Nakjang, Sirintra; Miwa, Satomi; Crossland, Rachel; Rand, Vikki; Televantou, Despina; Long, Anna; Keun, Hector C.; Bacon, Chris M.; Bomken, Simon; Critchlow, Susan E.; Wedge, Stephen R.
2017-01-01
Inhibition of monocarboxylate transporter 1 has been proposed as a therapeutic approach to perturb lactate shuttling in tumor cells that lack monocarboxylate transporter 4. We examined the monocarboxylate transporter 1 inhibitor AZD3965, currently in phase I clinical studies, as a potential therapy for diffuse large B-cell lymphoma and Burkitt lymphoma. Whilst extensive monocarboxylate transporter 1 protein was found in 120 diffuse large B-cell lymphoma and 10 Burkitt lymphoma patients’ tumors, monocarboxylate transporter 4 protein expression was undetectable in 73% of the diffuse large B-cell lymphoma samples and undetectable or negligible in each Burkitt lymphoma sample. AZD3965 treatment led to a rapid accumulation of intracellular lactate in a panel of lymphoma cell lines with low monocarboxylate transporter 4 protein expression and potently inhibited their proliferation. Metabolic changes induced by AZD3965 in lymphoma cells were consistent with a feedback inhibition of glycolysis. A profound cytostatic response was also observed in vivo: daily oral AZD3965 treatment for 24 days inhibited CA46 Burkitt lymphoma growth by 99%. Continuous exposure of CA46 cells to AZD3965 for 7 weeks in vitro resulted in a greater dependency upon oxidative phosphorylation. Combining AZD3965 with an inhibitor of mitochondrial complex I (central to oxidative phosphorylation) induced significant lymphoma cell death in vitro and reduced CA46 disease burden in vivo. These data support clinical examination of AZD3965 in Burkitt lymphoma and diffuse large B-cell lymphoma patients with low tumor monocarboxylate transporter 4 expression and highlight the potential of combination strategies to optimally target the metabolic phenotype of tumors. PMID:28385782
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.
Muthukkumaran, A; Aravamudan, K
2017-09-12
Adsorption, a popular technique for removing azo dyes from aqueous streams, is influenced by several factors such as pH, initial dye concentration, temperature and adsorbent dosage. Any strategy that seeks to identify optimal conditions involving these factors, should take into account both kinetic and equilibrium aspects since they influence rate and extent of removal by adsorption. Hence rigorous kinetics and accurate equilibrium models are required. In this work, the experimental investigations pertaining to adsorption of acid orange 10 dye (AO10) on activated carbon were carried out using Central Composite Design (CCD) strategy. The significant factors that affected adsorption were identified to be solution temperature, solution pH, adsorbent dosage and initial solution concentration. Thermodynamic analysis showed the endothermic nature of the dye adsorption process. The kinetics of adsorption has been rigorously modeled using the Homogeneous Surface Diffusion Model (HSDM) after incorporating the non-linear Freundlich adsorption isotherm. Optimization was performed for kinetic parameters (color removal time and surface diffusion coefficient) as well as the equilibrium affected response viz. percentage removal. Finally, the optimum conditions predicted were experimentally validated. Copyright © 2017 Elsevier Ltd. All rights reserved.
Tijink, Marlon S L; Wester, Maarten; Sun, Junfen; Saris, Anno; Bolhuis-Versteeg, Lydia A M; Saiful, Saiful; Joles, Jaap A; Borneman, Zandrie; Wessling, Matthias; Stamatialis, Dimitris F
2012-07-01
Hemodialysis is a commonly used blood purification technique in patients requiring kidney replacement therapy. Sorbents could increase uremic retention solute removal efficiency but, because of poor biocompatibility, their use is often limited to the treatment of patients with acute poisoning. This paper proposes a novel membrane concept for combining diffusion and adsorption of uremic retention solutes in one step: the so-called mixed-matrix membrane (MMM). In this concept, adsorptive particles are incorporated in a macro-porous membrane layer whereas an extra particle-free membrane layer is introduced on the blood-contacting side of the membrane to improve hemocompatibility and prevent particle release. These dual-layer mixed-matrix membranes have high clean-water permeance and high creatinine adsorption from creatinine model solutions. In human plasma, the removal of creatinine and of the protein-bound solute para-aminohippuric acid (PAH) by single and dual-layer membranes is in agreement with the removal achieved by the activated carbon particles alone, showing that under these experimental conditions the accessibility of the particles in the MMM is excellent. This study proves that the combination of diffusion and adsorption in a single step is possible and paves the way for the development of more efficient blood purification devices, excellently combining the advantages of both techniques.
Matsushita, Taku; Matsui, Yoshihiko; Ikekame, Shohei; Sakuma, Miki; Shirasaki, Nobutaka
2017-04-06
Mechanisms underlying trichloramine removal with activated carbon treatment were proven by batch experiments and theoretical analysis with diffusion-reaction models. The observed values of trichloramine and free chlorine were explained only by the model in which (1) both trichloramine and free chlorine were involved as reactants, (2) the removals of reactants were affected both by the intraparticle diffusion and by the reaction with activated carbon, and (3) trichloramine decomposition was governed by two distinct reductive reactions. One reductive reaction was expressed as a first-order reaction: the reductive reaction of trichloramine with the basal plane of PAC, which consists of graphene sheets. The other reaction was expressed as a second-order reaction: the reductive reaction of trichloramine with active functional groups located on the edge of the basal plane. Free chlorine competitively reacted with both the basal plane and the active functional groups. The fact that the model prediction succeeded even in experiments with different activated carbon doses, with different initial trichloramine concentrations, and with different sizes of activated carbon particles clearly proved that the mechanisms described in the model were reasonable for explaining trichloramine removal with activated carbon treatment.
NASA Astrophysics Data System (ADS)
Abad, E.; Yuste, S. B.; Lindenberg, Katja
2012-12-01
We calculate the survival probability of an immobile target surrounded by a sea of uncorrelated diffusive or subdiffusive evanescent traps (i.e., traps that disappear in the course of their motion). Our calculation is based on a fractional reaction-subdiffusion equation derived from a continuous time random walk model of the system. Contrary to an earlier method valid only in one dimension (d=1), the equation is applicable in any Euclidean dimension d and elucidates the interplay between anomalous subdiffusive transport, the irreversible evanescence reaction, and the dimension in which both the traps and the target are embedded. Explicit results for the survival probability of the target are obtained for a density ρ(t) of traps which decays (i) exponentially and (ii) as a power law. In the former case, the target has a finite asymptotic survival probability in all integer dimensions, whereas in the latter case there are several regimes where the values of the decay exponent for ρ(t) and the anomalous diffusion exponent of the traps determine whether or not the target has a chance of eternal survival in one, two, and three dimensions.
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.
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.
Teruel, Jose R; Goa, Pål E; Sjøbakk, Torill E; Østlie, Agnes; Fjøsne, Hans E; Bathen, Tone F
2016-11-01
Purpose To evaluate the relative change of the apparent diffusion coefficient (ADC) at low- and medium-b-value regimens as a surrogate marker of microcirculation, to study its correlation with dynamic contrast agent-enhanced (DCE) magnetic resonance (MR) imaging-derived parameters, and to assess its potential for differentiation between malignant and benign breast tumors. Materials and Methods Ethics approval and informed consent were obtained. From May 2013 to June 2015, 61 patients diagnosed with either malignant or benign breast tumors were prospectively recruited. All patients were scanned with a 3-T MR imager, including diffusion-weighted imaging (DWI) and DCE MR imaging. Parametric analysis of DWI and DCE MR imaging was performed, including a proposed marker, relative enhanced diffusivity (RED). Spearman correlation was calculated between DCE MR imaging and DWI parameters, and the potential of the different DWI-derived parameters for differentiation between malignant and benign breast tumors was analyzed by dividing the sample into equally sized training and test sets. Optimal cut-off values were determined with receiver operating characteristic curve analysis in the training set, which were then used to evaluate the independent test set. Results RED had a Spearman rank correlation of 0.61 with the initial area under the curve calculated from DCE MR imaging. Furthermore, RED differentiated cancers from benign tumors with an overall accuracy of 90% (27 of 30) on the test set with 88.2% (15 of 17) sensitivity and 92.3% (12 of 13) specificity. Conclusion This study presents promising results introducing a simplified approach to assess results from a DWI protocol sensitive to the intravoxel incoherent motion effect by using only three b values. This approach could potentially aid in the differentiation, characterization, and monitoring of breast pathologies. (©) RSNA, 2016 Online supplemental material is available for this article.
Zhao Xinyu; Jing Jun; Corn, Brittany; Yu Ting
2011-09-15
Non-Markovian dynamics is studied for two interacting qubits strongly coupled to a dissipative bosonic environment. We derive a non-Markovian quantum-state-diffusion (QSD) equation for the coupled two-qubit system without any approximations, and in particular, without the Markov approximation. As an application and illustration of our derived time-local QSD equation, we investigate the temporal behavior of quantum coherence dynamics. In particular, we find a strongly non-Markovian regime where entanglement generation is significantly modulated by the environmental memory. Additionally, we study residual entanglement in the steady state by analyzing the steady-state solution of the QSD equation. Finally, we discuss an approximate QSD equation.
Han, Songfeng; Proctor, Ashley R.; Vella, Joseph B.; Benoit, Danielle S. W.; Choe, Regine
2016-01-01
Longitudinal blood flow during murine bone graft healing was monitored non-invasively using diffuse correlation tomography. The system utilized spatially dense data from a scanning set-up, non-linear reconstruction, and micro-CT anatomical information. Weekly in vivo measurements were performed. Blood flow changes in autografts, which heal successfully, were localized to graft regions and consistent across mice. Poor healing allografts showed heterogeneous blood flow elevation and high inter-subject variabilities. Allografts with tissue-engineered periosteum showed responses intermediate to both autografts and allografts, consistent with healing observed. These findings suggest that spatiotemporal blood flow changes can be utilized to differentiate the degree of bone graft healing. PMID:27699097
NASA Astrophysics Data System (ADS)
González, Ramón E. R.; de Figueirêdo, Pedro Hugo; Coutinho, Sérgio
2013-10-01
We study a cellular automata model to test the timing of antiretroviral therapy strategies for the dynamics of infection with human immunodeficiency virus (HIV). We focus on the role of virus diffusion when its population is included in previous cellular automata model that describes the dynamics of the lymphocytes cells population during infection. This inclusion allows us to consider the spread of infection by the virus-cell interaction, beyond that which occurs by cell-cell contagion. The results show an acceleration of the infectious process in the absence of treatment, but show better efficiency in reducing the risk of the onset of AIDS when combined antiretroviral therapies are used even with drugs of low effectiveness. Comparison of results with clinical data supports the conclusions of this study.
Moon, Seyoung; Kim, Donghyun; Sim, Eunji
2008-01-20
We employ a Monte Carlo (MC) algorithm to investigate the decoherence of diffuse photons in turbid media. For the MC simulation of coherent photons, the degree of coherence, defined as a random variable for a photon packet, is associated with a decoherence function that depends on the scattering angle and is updated as a photon interacts with a medium via scattering. Using a slab model, the effects of medium scattering properties were studied, which reveals that a linear random variable model for the degree of coherence is in better agreement with experimental results than a sinusoidal model and that decoherence is quick for the initial few scattering events followed by a slow and gradual decrease of coherence.
NASA Astrophysics Data System (ADS)
Anand, S.; Mayya, Y. S.
2011-08-01
Coagulation and condensation/evaporation combined with atmospheric dispersion are the main processes responsible for the evolution of aerosol particle size distributions and number concentrations emitted from localized sources. A crucial question is: what fraction of freshly emitted particles survive intra-coagulation effect to persist in the atmosphere and become available for further interaction with background aerosols?. The difficulty in estimating this quantity, designated as the number survival fraction, arises due chiefly to the joint action of atmospheric diffusion with nonlinear coagulation effects which are computationally intensive to handle. We provide a simplified approach to evaluate this quantity in the context of instantaneous (puff) and continuous (plume) releases based on a reduction of the respective coagulation-diffusion equations under the assumption of a constant coagulation kernel ( K). The condensation/evaporation processes, being number conserving, are not included in the study. The approach consists of constructing moment equations for the evolution of number concentration and variance of the spatial extension of puff or plume in terms of either time or downstream distance. The puff model, applicable to instantaneous releases is solved within a 3-D, spherically symmetric framework, under an additional assumption of a constant diffusion coefficient ( D) which renders itself amenable to a closed form solution that provides a benchmark for developing the solution to the plume model. The latter case, corresponding to continuous releases, is discussed within a 2-D framework under the assumptions of constant advection velocity ( U) and space dependent diffusion coefficient expressed in terms of turbulent energy dissipation rate ( ɛ). The study brings out the special effect of the coagulation-induced flattening of the spatial concentration profiles because of which particle sizes will be larger at the centre of a Gaussian puff. For a puff of
NASA Astrophysics Data System (ADS)
Wu, Jun; Chen, Yi-Xue; Wang, Wei-Jin; Yin, Wen; Liang, Tian-Jiao; Jia, Xue-Jun
2012-03-01
ENDF/B-VII.0, which was released by the USA Cross Section Evaluation Working Group (CSEWG) in December 2006, was demonstrated to perform much better than previous ENDF evaluations over a broad range of benchmark experiments. A high-energy (up to 150 MeV) multi-group library set named HEST1.0 with 253-neutron and 48-photon groups has been developed based on ENDF/B-VII.0 using the NJOY code. This paper provides a summary of the procedure to produce the library set and a detailed description of the verification of the multi-group library set by several shielding benchmark devices, in particular for high-energy neutron data. In addition, the first application of HEST1.0 to the shielding design of the China Spallation Neutron Source (CSNS) is demonstrated.
NASA Astrophysics Data System (ADS)
Fukuyama, Hidenao
Recent advances of magnetic resonance imaging have been described, especially stressed on the diffusion sequences. We have recently applied the diffusion sequence to functional brain imaging, and found the appropriate results. In addition to the neurosciences fields, diffusion weighted images have improved the accuracies of clinical diagnosis depending upon magnetic resonance images in stroke as well as inflammations.
Yang, W. S.; Lee, C. H.
2008-05-16
Under the fast reactor simulation program launched in April 2007, development of an advanced multigroup cross section generation code was initiated in July 2007, in conjunction with the development of the high-fidelity deterministic neutron transport code UNIC. The general objectives are to simplify the existing multi-step schemes and to improve the resolved and unresolved resonance treatments. Based on the review results of current methods and the fact that they have been applied successfully to fast critical experiment analyses and fast reactor designs for last three decades, the methodologies of the ETOE-2/MC{sup 2}-2/SDX code system were selected as the starting set of methodologies for multigroup cross section generation for fast reactor analysis. As the first step for coupling with the UNIC code and use in a parallel computing environment, the MC{sup 2}-2 code was updated by modernizing the memory structure and replacing old data management package subroutines and functions with FORTRAN 90 based routines. Various modifications were also made in the ETOE-2 and MC{sup 2}-2 codes to process the ENDF/B-VII.0 data properly. Using the updated ETOE-2/MC{sup 2}-2 code system, the ENDF/B-VII.0 data was successfully processed for major heavy and intermediate nuclides employed in sodium-cooled fast reactors. Initial verification tests of the MC{sup 2}-2 libraries generated from ENDF/B-VII.0 data were performed by inter-comparison of twenty-one group infinite dilute total cross sections obtained from MC{sup 2}-2, VIM, and NJOY. For almost all nuclides considered, MC{sup 2}-2 cross sections agreed very well with those from VIM and NJOY. Preliminary validation tests of the ENDF/B-VII.0 libraries of MC{sup 2}-2 were also performed using a set of sixteen fast critical benchmark problems. The deterministic results based on MC{sup 2}-2/TWODANT calculations were in good agreement with MCNP solutions within {approx}0.25% {Delta}{rho}, except a few small LANL fast assemblies
NASA Technical Reports Server (NTRS)
Smith, Andrew; LaVerde, Bruce; Fulcher, Clay; Hunt, Ron
2012-01-01
An approach for predicting the vibration, strain, and force responses of a flight-like vehicle panel assembly to acoustic pressures is presented. Important validation for the approach is provided by comparison to ground test measurements in a reverberant chamber. The test article and the corresponding analytical model were assembled in several configurations to demonstrate the suitability of the approach for response predictions when the vehicle panel is integrated with equipment. Critical choices in the analysis necessary for convergence of the predicted and measured responses are illustrated through sensitivity studies. The methodology includes representation of spatial correlation of the pressure field over the panel surface. Therefore, it is possible to demonstrate the effects of hydrodynamic coincidence in the response. The sensitivity to pressure patch density clearly illustrates the onset of coincidence effects on the panel response predictions.
NASA Astrophysics Data System (ADS)
Artun, Hüseyin; Coştu, Bayram
2013-02-01
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 of ten two-tier questions of which an explanatory part was integral. Individual interviews were conducted with six prospective teachers at the end of the implementation of the unit using four questions. Test scores were analyzed quantitatively and qualitatively. Post-instructional interviews were analyzed qualitatively. Statistical analysis using one-way ANOVA of student test scores pointed to statistically significant differences between pre- and post- and delayed post-test ( p < 0.05). A qualitative analysis of the prospective teachers' explanations in the two-tier questions revealed changes in their ideas overtime. Both quantitative and qualitative analyses suggest that the teaching activities promoted students' conceptual understanding. No statistically significant differences were found between post-test and delayed post-test scores, suggesting that the teaching activities based on 5E model enabled students to retain their new conceptual understanding.
Mohamad Aris, Sayangku Nor Ariati; Thean Chor, Adam Leow; Mohamad Ali, Mohd Shukuri; Basri, Mahiran; Salleh, Abu Bakar; Raja Abd Rahman, Raja Noor Zaliha
2014-01-01
Three-dimensional structure of thermostable lipase is much sought after nowadays as it is important for industrial application mainly found in the food, detergent, and pharmaceutical sectors. Crystallization utilizing the counter diffusion method in space was performed with the aim to obtain high resolution diffracting crystals with better internal order to improve the accuracy of the structure. Thermostable T1 lipase enzyme has been crystallized in laboratory on earth and also under microgravity condition aboard Progress spacecraft to the ISS in collaboration with JAXA (Japanese Aerospace Exploration Agency). This study is conducted with the aims of improving crystal packing and structure resolution. The diffraction data set for ground grown crystal was collected to 1.3 Å resolution and belonged to monoclinic C2 space group with unit cell parameters a = 117.40 Å, b = 80.95 Å, and c = 99.81 Å, whereas the diffraction data set for space grown crystal was collected to 1.1 Å resolution and belonged to monoclinic C2 space group with unit cell parameters a = 117.31 Å, b = 80.85 Å, and c = 99.81 Å. The major difference between the two crystal growth systems is the lack of convection and sedimentation in microgravity environment resulted in the growth of much higher quality crystals of T1 lipase.
NASA Astrophysics Data System (ADS)
Monde, Aniket D.; Chakraborty, Prodyut R.
2017-10-01
Volumetric expansion and shrinkage due to different densities of solid and liquid phases are common phenomena during solidification process. Simple analytical models addressing effect of volumetric expansion/shrinkage during solidification are rarely found. The few existing 1-D solidification models are valid only for semi-infinite domain with limitations of their application for finite domain size. The focus of the present work is to develop a 1-D semi-analytical solidification model addressing effects of volumetric expansion/shrinkage in a finite domain. The proposed semi-analytical scheme involves finding simultaneous solution of transient 1-D heat diffusion equations at solid and liquid domain coupled at the interface by Stefan condition. The change of the total domain length during solidification due to volumetric expansion/shrinkage is addressed by using mass conservation. For validation of the proposed model, solidification of water in a finite domain is studied without considering volumetric expansion/shrinkage effect and results are compared with those obtained from existing enthalpy updating based numerical model. After validation, case studies pertaining to volumetric expansion and shrinkage are performed considering solidification of water and paraffin respectively and physically consistent results are obtained. The study is relevant for understanding unidirectional crystal growth under the effect of controlled boundary condition.
Modeling growth and dissemination of lymphoma in a co-evolving lymph node: a diffuse-domain approach
NASA Astrophysics Data System (ADS)
Chuang, Yao-Li; Cristini, Vittorio; Chen, Ying; Li, Xiangrong; Frieboes, Hermann; Lowengrub, John
2013-03-01
While partial differential equation models of tumor growth have successfully described various spatiotemporal phenomena observed for in-vitro tumor spheroid experiments, one challenge towards taking these models to further study in-vivo tumors is that instead of relatively static tissue culture with regular boundary conditions, in-vivo tumors are often confined in organ tissues that co-evolve with the tumor growth. Here we adopt a recently developed diffuse-domain method to account for the co-evolving domain boundaries, adapting our previous in-vitro tumor model for the development of lymphoma encapsulated in a lymph node, which may swell or shrink due to proliferation and dissemination of lymphoma cells and treatment by chemotherapy. We use the model to study the induced spatial heterogeneity, which may arise as an emerging phenomenon in experimental observations and model analysis. Spatial heterogeneity is believed to lead to tumor infiltration patterns and reduce the efficacy of chemotherapy, leaving residuals that cause cancer relapse after the treatment. Understanding the spatiotemporal evolution of in-vivo tumors can be an essential step towards more effective strategies of curing cancer. Supported by NIH-PSOC grant 1U54CA143907-01.
Wendland, F; Kunkel, R; Bogena, H; Gömann, H; Kreins, P
2007-01-01
An integrated model system has been developed to estimate the impact of nitrogen reduction measures on the nitrogen load in groundwater and in river catchment areas. The focus lies on an area-wide, regionally differentiated, consistent link-up between the indicator "nitrogen balance surplus" and nitrogen charges into surface waters. As a starting point of the analysis actual nitrogen surpluses in the soil were quantified using the agro-economic RAUMIS-model, which considers the most important N-inputs to the soil and N-removals from the soil through crop harvest. The most important pathways for diffuse nitrogen inputs into river systems are modelled with the water balance model GROWA. Additionally, the time-dependent nitrogen degradation along the nitrogen pathways in soil and groundwater are modelled using the WEKU-model. The two selected river basins in Germany cover a variety of landscape units with different hydrological, hydrogeological and socio-economic characteristics. The results indicate a wide range of annual nitrogen surpluses for the rural areas between than 10 kg N ha(-1) x a(-1) and 200 kg N ha(-1) x a(-1) or more, depending on the type and intensity of farming. The level of nitrogen inputs into the surface waters is reduced because of degradation processes during transport in soil and groundwater. Policy impact analyses for a nitrogen tax and a limitation of the livestock density stress the importance of regionally adjusted measures.
NASA Technical Reports Server (NTRS)
Horwitz, J. L.
1983-01-01
The Bohm diffusion coefficient and observed electrostatic wave scattering are used as the bases of estimates of the smoothing effect that diffusion may have on steep plasmapause density gradients. The estimate for diffusion resulting from scattering by observed electrostatic waves is found to be much lower than that of the perpendicular Bohm diffusion coefficient for characteristic plasma temperatures and magnetic fields. This diffusion rate estimate may be too small, however, if the wave amplitudes are significantly higher for steep plasmapauses. The effects are therefore negligible for most considerations of macroscopic plasmapause dynamics, but may be significant in limiting drift wave instabilities and similar phenomena driven by the steepness of the plasmapause density gradient.
ERIC Educational Resources Information Center
Pae, Hye K.; Greenberg, Daphne
2014-01-01
The purpose of this study was to examine the relationship between receptive and expressive language skills characterized by the performance of nonnative speakers (NNSs) of English in the academic context. Test scores of 585 adult NNSs were selected from Form 2 of the Pearson Test of English Academic's field-test database. A correlated…
A nodal expansion method for the neutron diffusion equation in cylindrical geometry
Komlev, O.G.; Suslov, I.R.
1995-12-31
A polynomial nodal expansion method (NEM) is applied to solve multigroup diffusion equations in cylindrical R-Z geometry, Fourth-order polynomials are used to approximate one dimensional (1D) transverse integrated fluxes. The special set of the basis functions is used in R-direction. The transverse integrated leakages are approximated by both constant and quadratic polynomials. Preliminary efficiency evaluation of the NEM is carried out for a fast breeder reactor (FBR) model problem. Results indicate computational efficiency of NEM in comparison with finite-difference method (FDM).
NASA Astrophysics Data System (ADS)
Mihalache, Constance; Buscarnera, Giuseppe
2013-04-01
Granular materials are susceptible to a wide variety of failure and deformation mechanisms, especially because of their interaction with the pore fluids and the surrounding environment. An adequate modeling of their mechanical response is therefore essential for understanding a number of geological processes, such as the onset of rapid landslides, hillslope denudation and sediment transport, or even the mechanics of fault gauges. Depending on the type of material, the groundwater conditions and the surrounding kinematic constraints, both diffuse and localized mechanisms are possible, and these may occur under either drained or undrained conditions. In the geomechanics literature, failure modes are usually explained and modeled with the tools of continuum mechanics, such as the mathematical theory of plasticity. Due to the complexity of granular material behavior, however, most classical models for frictional strength are unable to capture the variety of instability mechanisms observed for such class of geomaterials (e.g., liquefaction, shear banding, etc.). Sophisticated strain-hardening plasticity models are therefore required for numerical modeling purposes, thus making the evaluation of critical failure conditions less straightforward than in perfect plasticity theories. Here we propose a mathematical strategy that can be adapted to any elastoplastic model and allows the onset of failure in elastoplastic geomaterials to be expressed in a more general manner. More specifically, our theory expresses the failure conditions as a function of local kinematics and solid-fluid interactions. The stability criterion used in this study is based on the so-called stability modulus, a scalar index of failure that was formulated by linking the physical concept controllability to the mathematical notion of plastic admissibility upon an incremental loading path [Buscarnera et al, 2011]. In this contribution, different loading constraints are considered, accounting for the
Hérivaux, Cécile; Orban, Philippe; Brouyère, Serge
2013-10-15
In Europe, 30% of groundwater bodies are considered to be at risk of not achieving the Water Framework Directive (WFD) 'good status' objective by 2015, and 45% are in doubt of doing so. Diffuse agricultural pollution is one of the main pressures affecting groundwater bodies. To tackle this problem, the WFD requires Member States to design and implement cost-effective programs of measures to achieve the 'good status' objective by 2027 at the latest. Hitherto, action plans have mainly consisted of promoting the adoption of Agri-Environmental Schemes (AES). This raises a number of questions concerning the effectiveness of such schemes for improving groundwater status, and the economic implications of their implementation. We propose a hydro-economic model that combines a hydrogeological model to simulate groundwater quality evolution with agronomic and economic components to assess the expected costs, effectiveness, and benefits of AES implementation. This hydro-economic model can be used to identify cost-effective AES combinations at groundwater-body scale and to show the benefits to be expected from the resulting improvement in groundwater quality. The model is applied here to a rural area encompassing the Hesbaye aquifer, a large chalk aquifer which supplies about 230,000 inhabitants in the city of Liege (Belgium) and is severely contaminated by agricultural nitrates. We show that the time frame within which improvements in the Hesbaye groundwater quality can be expected may be much longer than that required by the WFD. Current WFD programs based on AES may be inappropriate for achieving the 'good status' objective in the most productive agricultural areas, in particular because these schemes are insufficiently attractive. Achieving 'good status' by 2027 would demand a substantial change in the design of AES, involving costs that may not be offset by benefits in the case of chalk aquifers with long renewal times.
Fonseca, Viviane de Carvalho; Yasuda, Clarissa Lin; Tedeschi, Guilherme Garlipp; Betting, Luiz Eduardo; Cendes, Fernando
2012-01-01
Diffusion tensor imaging (DTI) allows the analysis of changes in microstructure, through the quantification of the spread and direction of water molecules in tissues. We used fractional anisotropy (FA) maps to compare the integrity of WM between patients and controls. The objective of the present study was to investigate WM abnormalities in patients with frontal lobe epilepsy secondary to focal cortical dysplasia (FCD). We included 31 controls (12 women, 33.1 ± 9.6 years, mean ± SD) and 22 patients (11 women, 30.4 ± 10.0 years), recruited from our outpatient clinic. They had clinical and EEG diagnosis of frontal lobe epilepsy, secondary to FCD detected on MRI. Patients and controls underwent 3T MRI, including the DTI sequence, obtained in 32 directions and b value of 1000 s/mm(2). To process the DTI we used the following softwares: MRIcroN and FSL/TBSS (tract-based spatial statistics). We used a threshold-free cluster enhancement with significance at p < 0.05, fully corrected for multiple comparisons across space. Areas with FA reduction in patients were identified in both hemispheres, mainly in the frontal lobes, cingulum, and forceps minor (p = 0.014), caudate e anterior thalamic radiation (p = 0.034), superior longitudinal fasciculus (p = 0.044), uncinate fasciculus, and inferior fronto-occipital fasciculus (p = 0.042). Our results showed a widespread pattern of WM microstructural abnormalities extending beyond the main lesion seen on MRI (frontal lobe), which may be related to frequent seizures or to the extent of MRI-invisible portion of FCD.
NASA Astrophysics Data System (ADS)
Kösters, Anne; Karlsson, Anders; Oevermann, Michael; D'Errico, Gianluca; Lucchini, Tommaso
2015-01-01
The flame stabilisation process in turbulent non-premixed flames is not fully understood and several models have been developed to describe the turbulence-chemistry interaction. This work compares the performance of the multiple Representative Interactive Flamelet (mRIF) model, the Volume Reactor Fraction Model (VRFM), and the Well-Stirred reactor (WS) model in describing such flames. The predicted ignition delay and flame lift-off length of n-heptane sprays are compared to experimental results published within the Engine Combustion Network (ECN). All of the models predict the trend of ignition delay reasonably well. At a low gas pressure (42 bar) the ignition delay is overpredicted compared to the experimental data, but the difference between the models is not significant. However, the predicted lift-off lengths differ. At high pressure (87 bar) the difference between the models is small. All models slightly underpredict the lift-off length compared to the experimental data. At low gas pressure (42 bar) the mRIF model gives the best results. The VRFM and WS models predict excessively short lift-off lengths, but the VRFM model gives better results than the WS model. The flame structures of the models are also compared. The WS model and the VRFM model yield a well defined flame stabilisation point whereas the mRIF model does not. The flame of the mRIF model is more diffuse and the model is not able to predict flame propagation. All models were able to predict the experimental trends in lift-off and ignition delay, but certain differences between them are demonstrated.
Friedberg, Jonathan W
2015-01-01
Diffuse large B-cell lymphoma (DLBCL) is the most common subtype of non Hodgkin lymphoma in the Western world, and is potentially curable with standard R-CHOP chemoimmunotherapy. Historically, clinical risk assessments provided prognostic information, but did not define treatment approach. We are now in an era where the heterogeneity of DLBCL is defined genetically and molecularly, and rational subset-specific therapeutic targets are guiding clinical trials. Primary mediastinal DLBCL is a unique clinicopathologic entity, and alternatives to R-CHOP may confer superior outcome. Rearrangement of the myc oncogene occurs in ~10% of patients with DLBCL, and confers a very poor prognosis with standard R-CHOP, particularly when there is concomitant rearrangement of bcl-2, a condition referred to as "double-hit" DLBCL. A larger subset of DLBCL demonstrates overexpression of both myc and bcl-2 by immunohistochemistry. Cell of origin, determined by gene expression analysis, immunohistochemistry algorithms, or a novel Lymph2Cx platform, provides prognostic information, and guides therapeutic decisions in both relapsed and de novo disease. This article will define specific subsets of DLBCL and provide subtype-specific treatment options, including novel approaches under investigation. Understanding these key features of the pathology report, and limitations of these assays defining subsets of DLBCL, allows for an evolving precision medicine approach to this disease. © 2015 by The American Society of Hematology. All rights reserved.
VELM61 and VELM22: Multigroup cross-section libraries for sodium-cooled reactor shield analysis
Fu, C.Y.; Ingersoll, D.T.
1987-04-01
Two coupled neutron and photon multigroup cross-section libraries, derived from ENDF/B-V nuclear data, are described. The energy group structures, 61n/23..gamma.. and 22n/10..gamma.., are subsets of the Vitamin-E 174n/38..gamma.. group structure, and are tailored to the iron and sodium resonances, windows, and capture gamma-ray spectra. Each of the two libraries are available in two formats, the AMPX master format and the ANISN format. Cross sections for all materials in the Vitamin-E library were collapsed using a standard energy weighting function, and in addition, several cross-section sets for each of the major constituents of commercial grade sodium, stainless steel (types 304 and 316), and carbon steel were derived using several problem-dependent weighting functions for averaging the fine groups. Effects of various group structures and weighting functions on the accuracy of the broad group libraries are studied by ANISN analysis of a typical sodium-iron shield configuration.
Westbrook, T'pring R; Harden, Brenda Jones
2010-07-01
The present study examined the impact of proximal (maternal depression, family structure) and distal (exposure to violence) risk factors on parenting characteristics (warmth, control), which were in turn hypothesized to affect child social-emotional functioning. Using the Family and Child Experiences Study (FACES) 2000 cohort, findings revealed that study variables were significant predictors of child social-emotional functioning. Despite limited significant pathways in the structural equation models, the cumulative effect of the variables resulted in models accounting for 21%-37% of the outcome. Multigroup analysis revealed that although the amount of variance explained varied, the model held across subgroups. Findings support theories such as the family stress model that suggest that family risk factors negatively influencing children's development through influencing parenting behaviors. Findings also support considering both warmth and control as key parenting dimensions. It may be impractical for practitioners to address the myriad of potential risks encountered by low-income families, but parents can be equipped with mental health services, parent education, and other assistance to help them maintain positive parenting practices in the face of challenges.
Ghrayeb, Shadi Z.; Ougouag, Abderrafi M.; Ouisloumen, Mohamed; Ivanov, Kostadin N.
2014-01-01
A multi-group formulation for the exact neutron elastic scattering kernel is developed. It incorporates the neutron up-scattering effects, stemming from lattice atoms thermal motion and accounts for it within the resulting effective nuclear cross-section data. The effects pertain essentially to resonant scattering off of heavy nuclei. The formulation, implemented into a standalone code, produces effective nuclear scattering data that are then supplied directly into the DRAGON lattice physics code where the effects on Doppler Reactivity and neutron flux are demonstrated. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering, which in turn affect the estimation of core reactivity and burnup characteristics. The results show an increase in values of Doppler temperature feedback coefficients up to -10% for UOX and MOX LWR fuels compared to the corresponding values derived using the traditional asymptotic elastic scattering kernel. This paper also summarizes the results done on this topic to date.
NASA Astrophysics Data System (ADS)
Roberts, Luke F.; Ott, Christian D.; Haas, Roland; O'Connor, Evan P.; Diener, Peter; Schnetter, Erik
2016-11-01
We report on a set of long-term general-relativistic three-dimensional (3D) multi-group (energy-dependent) neutrino radiation-hydrodynamics simulations of core-collapse supernovae. We employ a full 3D two-moment scheme with the local M1 closure, three neutrino species, and 12 energy groups per species. With this, we follow the post-core-bounce evolution of the core of a nonrotating 27 - {M}⊙ progenitor in full unconstrained 3D and in octant symmetry for ≳380 ms. We find the development of an asymmetric runaway explosion in our unconstrained simulation. We test the resolution dependence of our results and, in agreement with previous work, find that low resolution artificially aids explosion and leads to an earlier runaway expansion of the shock. At low resolution, the octant and full 3D dynamics are qualitatively very similar, but at high resolution, only the full 3D simulation exhibits the onset of explosion.
Merz, Erin L.; Malcarne, Vanessa L.; Roesch, Scott C.; Riley, Natasha; Sadler, Georgia Robins
2014-01-01
Depression is a significant problem for ethnic minorities that remains understudied partly due to a lack of strong measures with established psychometric properties. One screening tool, the Patient Health Questionnaire-9 (PHQ-9), which was developed for use in primary care has also gained popularity in research settings. The reliability and validity of the PHQ-9 has been well established among predominantly Caucasian samples, in addition to many minority groups. However, there is little evidence regarding its utility among Hispanic Americans, a large and growing cultural group in the United States. In this study, we investigated the reliability and structural validity of the PHQ-9 in Hispanic American women. A community sample of 479 Latina women from southern California completed the PHQ-9 in their preferred language of English or Spanish. Cronbach’s alphas suggested that there was good internal consistency for both the English- and Spanish-language versions. Structural validity was investigated using multigroup confirmatory factor analysis (CFA). Results support a similar one-factor structure with equivalent response patterns and variances among English- and Spanish-speaking Latinas. These results suggest that the PHQ-9 can be used with confidence in both English and Spanish versions to screen Latinas for depression. PMID:21787063
NAGAYA, YASANOBU
2008-02-29
Version 00 (1) Problems to be solved: MVP/GMVP II can solve eigenvalue and fixed-source problems. The multigroup code GMVP can solve forward and adjoint problems for neutron, photon and neutron-photon coupled transport. The continuous-energy code MVP can solve only the forward problems. Both codes can also perform time-dependent calculations. (2) Geometry description: MVP/GMVP employs combinatorial geometry to describe the calculation geometry. It describes spatial regions by the combination of the 3-dimensional objects (BODIes). Currently, the following objects (BODIes) can be used. - BODIes with linear surfaces : half space, parallelepiped, right parallelepiped, wedge, right hexagonal prism - BODIes with quadratic surface and linear surfaces : cylinder, sphere, truncated right cone, truncated elliptic cone, ellipsoid by rotation, general ellipsoid - Arbitrary quadratic surface and torus The rectangular and hexagonal lattice geometry can be used to describe the repeated geometry. Furthermore, the statistical geometry model is available to treat coated fuel particles or pebbles for high temperature reactors. (3) Particle sources: The various forms of energy-, angle-, space- and time-dependent distribution functions can be specified. See Abstract for more detail.
Pendergast, Laura L; von der Embse, Nathaniel; Kilgus, Stephen P; Eklund, Katie R
2017-02-01
Evidence-based interventions (EBIs) have become a central component of school psychology research and practice, but EBIs are dependent upon the availability and use of evidence-based assessments (EBAs) with diverse student populations. Multi-group confirmatory factor analysis (MG-CFA) is an analytical tool that can be used to examine the validity and measurement equivalence/invariance of scores across diverse groups. The objective of this article is to provide a conceptual and procedural overview of categorical MG-CFA, as well as an illustrated example based on data from the Social and Academic Behavior Risk Screener (SABRS) - a tool designed for use in school-based interventions. This article serves as a non-technical primer on the topic of MG-CFA with ordinal (rating scale) data and does so through the framework of examining equivalence of measures used for EBIs within multi-tiered models - an understudied topic. To go along with the illustrated example, we have provided supplementary files that include sample data, Mplus input code, and an annotated guide for understanding the input code (http://dx.doi.org/10.1016/j.jsp.2016.11.002). Data needed to reproduce analyses in this article are available as supplemental materials (online only) in the Appendix of this article. Copyright © 2016 Society for the Study of School Psychology. Published by Elsevier Ltd. All rights reserved.
de Jong, Martijn G; Pieters, Rik; Stremersch, Stefan
2012-09-01
Answers to sensitive questions are prone to social desirability bias. If not properly addressed, the validity of the research can be suspect. This article presents multigroup item randomized response theory (MIRRT) to measure self-reported sensitive topics across cultures. The method was specifically developed to reduce social desirability bias by making an a priori change in the design of the survey. The change involves the use of a randomization device (e.g., a die) that preserves participants' privacy at the item level. In cases where multiple items measure a higher level theoretical construct, the researcher could still make inferences at the individual level. The method can correct for under- and overreporting, even if both occur in a sample of individuals or across nations. We present and illustrate MIRRT in a nontechnical manner, provide WinBugs software code so that researchers can directly implement it, and present 2 cross-national studies in which it was applied. The first study compared nonstudent samples from 2 countries (total n = 927) on permissive sexual attitudes and risky sexual behavior and related these to individual-level characteristics such as the Big Five personality traits. The second study compared nonstudent samples from 17 countries (total n = 6,195) on risky sexual behavior and related these to individual-level characteristics, such as gender and age, and to country-level characteristics, such as sex ratio.
Dimensions of Cultural Differences: Pancultural, ETIC/EMIC, and Ecological Approaches
ERIC Educational Resources Information Center
Stankov, Lazar; Lee, Jihyun
2009-01-01
We investigated the factorial structure of four major domains in social psychology (personality traits, social attitudes, values, and social norms) with an emphasis on cross-cultural differences. Three distinctive approaches--pancultural, multigroup, and multilevel--were applied to the data based on 22 measures that were collected from 2029…
Dimensions of Cultural Differences: Pancultural, ETIC/EMIC, and Ecological Approaches
ERIC Educational Resources Information Center
Stankov, Lazar; Lee, Jihyun
2009-01-01
We investigated the factorial structure of four major domains in social psychology (personality traits, social attitudes, values, and social norms) with an emphasis on cross-cultural differences. Three distinctive approaches--pancultural, multigroup, and multilevel--were applied to the data based on 22 measures that were collected from 2029…
NASA Astrophysics Data System (ADS)
Liu, Ruixia; Lead, Jamie R.; Zhang, Hao
2013-05-01
Cross flow ultrafiltration (CFUF) and diffusive gradients in thin films (DGT) with open pore gel (OP) and restricted pore gel (RP) were used to measure trace metal speciation in selected UK freshwaters. The proportions of metals present in particulate forms (>1 μm) varied widely between 40-85% Pb, 60-80% Al, 7-56% Mn, 10-49% Cu, 0-55% Zn, 20-38% Cr, 20-30% Fe, 6-25% Co, 5-22% Cd and <7% Ni. In the colloidal fraction (2 kDa-1 μm) values varied between 53-91% Pb, 33-55% Al, 21-55% Cu, 20-44% Fe, 34-36% Cr, 20-40% Cd, 7-28% Co and Ni, 2-32% Zn and <8% Mn. Wide variations were also observed in the ultrafiltered fraction (<2 kDa). These results indicated that colloids indeed influenced the occurrence and transport of Al, Fe, Cr, Co, Ni, Cu, Zn, Cr and Pb metals in rivers, while inorganic or organic colloids did not exert an important control on Mn transport in the selected freshwaters. Of total species, total labile metal measured by DGT-OP accounted for 1.4-50% for Al, Fe, Co, Ni, Cu, Cd and Pb in all selected waters. Of these metals total labile Pb concentration was the lowest with value less than 1.4% although this value slightly increased after deducting particulate fractions. In some waters, a majority of total Mn, Zn and Cr is DGT labile, in which the DGT labile Mn fraction accounted for 98-118% of the total dissolved phase. In most cases, the inorganic labile concentration measured by DGT-RP was lower than the total labile metal concentration. By the combination of CFUF and DGT techniques, the concentrations of total labile and inorganic labile metal species in CFUF-derived truly dissolved phase were measured in four water samples. 100% of ultrafiltered Mn species was found to be total DGT labile. The proportions of total labile metal species were lower than those of ultrafiltered fraction for Al, Fe, Co, Ni, Cu, Cd and Pb in all selected waters, and Cr and Zn in some cases, indicating a large amount of natural complexing ligands with smaller size for the
Diffusion in monodisperse ferrofluids
NASA Astrophysics Data System (ADS)
Peredo-Ortíz, R.; Hernández-Contreras, M.; Hernández Gómez, R.
2017-01-01
The diffusion coefficients characterizing the translational and rotational Brownian motion of a particle in a concentrated suspension were determined in the long time diffusive regime for a ferrofluid suspension with the use of a Langevin equation approach. These dynamical properties depend on the equilibrium micro-structural information of the suspension and take into account the effect of direct anisotropic inter-particle's interactions on self-diffusion. The comparison of this theory with Brownian dynamic simulations results is made in terms of colloid density and dipole interaction strength.
NASA Technical Reports Server (NTRS)
Yang, T.-T.; Nelson, C. D.
1979-01-01
Contoured wall diffusers are designed by using an inverse method. The prescribed wall velocity distribution(s) was taken from the high lift airfoil designed by A. A. Griffith in 1938; therefore, such diffusers are named Griffith diffusers. First the formulation of the inverse problem and the method of solution are outlined. Then the typical contour of a two-dimensional diffuser and velocity distributions across the flow channel at various stations are presented. For a Griffith diffuser to operate as it is designed, boundary layer suction is necessary. Discussion of the percentage of through-flow required to be removed for the purpose of boundary layer control is given. Finally, reference is made to the latest version of a computer program for a two-dimensional diffuser requiring only area ratio, nondimensional length and suction percentage as inputs.
NASA Technical Reports Server (NTRS)
Yang, T.-T.; Nelson, C. D.
1979-01-01
Contoured wall diffusers are designed by using an inverse method. The prescribed wall velocity distribution(s) was taken from the high lift airfoil designed by A. A. Griffith in 1938; therefore, such diffusers are named Griffith diffusers. First the formulation of the inverse problem and the method of solution are outlined. Then the typical contour of a two-dimensional diffuser and velocity distributions across the flow channel at various stations are presented. For a Griffith diffuser to operate as it is designed, boundary layer suction is necessary. Discussion of the percentage of through-flow required to be removed for the purpose of boundary layer control is given. Finally, reference is made to the latest version of a computer program for a two-dimensional diffuser requiring only area ratio, nondimensional length and suction percentage as inputs.
Chang, Chong
2016-08-09
We present a simple approach for determining ion, electron, and radiation temperatures of heterogeneous plasma-photon mixtures, in which temperatures depend on both material type and morphology of the mixture. The solution technique is composed of solving ion, electron, and radiation energy equations for both mixed and pure phases of each material in zones containing random mixture and solving pure material energy equations in subdivided zones using interface reconstruction. Application of interface reconstruction is determined by the material configuration in the surrounding zones. In subdivided zones, subzonal inter-material energy exchanges are calculated by heat fluxes across the material interfaces. Inter-material energy exchange in zones with random mixtures is modeled using the length scale and contact surface area models. In those zones, inter-zonal heat flux in each material is determined using the volume fractions.
NASA Astrophysics Data System (ADS)
Mazzitello, Karina I.; Candia, Julián
2012-12-01
In every country, public and private agencies allocate extensive funding to collect large-scale statistical data, which in turn are studied and analyzed in order to determine local, regional, national, and international policies regarding all aspects relevant to the welfare of society. One important aspect of that process is the visualization of statistical data with embedded geographical information, which most often relies on archaic methods such as maps colored according to graded scales. In this work, we apply nonstandard visualization techniques based on physical principles. We illustrate the method with recent statistics on homicide rates in Brazil and their correlation to other publicly available data. This physics-based approach provides a novel tool that can be used by interdisciplinary teams investigating statistics and model projections in a variety of fields such as economics and gross domestic product research, public health and epidemiology, sociodemographics, political science, business and marketing, and many others.
Georgiev, Ivan T; McKay, Susan R
2003-05-01
This paper introduces a position-space renormalization-group approach for nonequilibrium systems and applies the method to a driven stochastic one-dimensional gas with open boundaries. The dynamics are characterized by three parameters: the probability alpha that a particle will flow into the chain to the leftmost site, the probability beta that a particle will flow out from the rightmost site, and the probability p that a particle will jump to the right if the site to the right is empty. The renormalization-group procedure is conducted within the space of these transition probabilities, which are relevant to the system's dynamics. The method yields a critical point at alpha(c)=beta(c)=1/2, in agreement with the exact values, and the critical exponent nu=2.71, as compared with the exact value nu=2.00.
NASA Astrophysics Data System (ADS)
Georgiev, Ivan T.; McKay, Susan R.
2003-05-01
This paper introduces a position-space renormalization-group approach for nonequilibrium systems and applies the method to a driven stochastic one-dimensional gas with open boundaries. The dynamics are characterized by three parameters: the probability α that a particle will flow into the chain to the leftmost site, the probability β that a particle will flow out from the rightmost site, and the probability p that a particle will jump to the right if the site to the right is empty. The renormalization-group procedure is conducted within the space of these transition probabilities, which are relevant to the system’s dynamics. The method yields a critical point at αc=βc=1/2, in agreement with the exact values, and the critical exponent ν=2.71, as compared with the exact value ν=2.00.
Doody, D G; Archbold, M; Foy, R H; Flynn, R
2012-01-01
The Water Framework Directive (WFD) has initiated a shift towards a targeted approach to implementation through its focus on river basin districts as management units and the natural ecological characteristics of waterbodies. Due to its role in eutrophication, phosphorus (P) has received considerable attention, resulting in a significant body of research, which now forms the evidence base for the programme of measures (POMs) adopted in WFD River Basin Management Plans (RBMP). Targeting POMs at critical sources areas (CSAs) of P could significantly improve environmental efficiency and cost effectiveness of proposed mitigation strategies. This paper summarises the progress made towards targeting mitigation measures at CSAs in Irish catchments. A review of current research highlights that knowledge related to P export at field scale is relatively comprehensive however; the availability of site-specific data and tools limits widespread identification of CSA at this scale. Increasing complexity of hydrological processes at larger scales limits accurate identification of CSA at catchment scale. Implementation of a tiered approach, using catchment scale tools in conjunction with field-by-field surveys could decrease uncertainty and provide a more practical and cost effective method of delineating CSA in a range of catchments. Despite scientific and practical uncertainties, development of a tiered CSA-based approach to assist in the development of supplementary measures would provide a means of developing catchment-specific and cost-effective programmes of measures for diffuse P. The paper presents a conceptual framework for such an approach, which would have particular relevance for the development of supplementary measures in High Status Waterbodies (HSW). The cost and resources necessary for implementation are justified based on HSWs' value as undisturbed reference condition ecosystems. Copyright © 2011 Elsevier Ltd. All rights reserved.
Roginskaya, Marina; Bernhard, William A; Razskazovskiy, Yuriy
2004-02-19
In this study we report analytical solutions for both time-dependent and steady-state problems of unbiased charge transfer through a regular DNA sequence via a hopping mechanism. The phenomenon is treated as a diffusion of charge in a one-dimensional array of equally spaced and energetically equivalent temporary trapping sites. The solutions take into account the rates of charge hopping (k), side reactions (k(r)), and charge transfer to a terminal charge acceptor (k(t)). A detailed analysis of the time-dependent problem is performed for the diffusion-controlled regime, i.e., under the assumption that k(t) > k, which is also equivalent to the fast relaxation limit of charge trapping. The analysis shows that the kinetics of charge hopping through DNA is always multiexponential, but under certain circumstances it can be asymptotically approximated by a single-exponential term. In that case, the efficiency of charge transfer can be characterized by a single rate constant k(CT) = 1.23kN(-2) + k(r), where N is the DNA length expressed in terms of the number of equidistant trapping sites and k(r) is the rate of competing chemical processes. The absolute yield of charge transfer under steady-state conditions in general is obtained as Y(infinity) = omega [alpha sinh(alphaN) + omega cosh(alphaN)](-1), where alpha = (2k(r)/k)(1/2) and omega = 2k(t)/k. For the diffusion-controlled regime and small N, in particular, it turns into the known "algebraic" dependence Y(infinity) = [1 + (k(r)/k)N(2)](-1). At large N the solution is asymptotically exponential with the parameter alpha mimicking the tunneling parameter beta in agreement with earlier predictions. Similar equations and distance dependencies have also been obtained for the damage ratios at the intermediate and terminal trapping sites in DNA. The nonlinear least-squares fit of one of these equations to experimental yields of guanine oxidation available from the literature returns kinetic parameters that are in reasonable
Camera, S.; Fornasa, M.; Fornengo, N.; Regis, M. E-mail: fornasam@gmail.com E-mail: regis@to.infn.it
2015-06-01
We recently proposed to cross-correlate the diffuse extragalactic γ-ray background with the gravitational lensing signal of cosmic shear. This represents a novel and promising strategy to search for annihilating or decaying particle dark matter (DM) candidates. In the present work, we demonstrate the potential of a tomographic-spectral approach: measuring the cross-correlation in separate bins of redshift and energy significantly improves the sensitivity to a DM signal. Indeed, the technique proposed here takes advantage of the different scaling of the astrophysical and DM components with redshift and, simultaneously of their different energy spectra and different angular extensions. The sensitivity to a particle DM signal is extremely promising even when the DM-induced emission is quite faint. We first quantify the prospects of detecting DM by cross-correlating the Fermi Large Area Telescope (LAT) diffuse γ-ray background with the cosmic shear expected from the Dark Energy Survey. Under the hypothesis of a significant subhalo boost, such a measurement can deliver a 5σ detection of DM, if the DM particle is lighter than 300 GeV and has a thermal annihilation rate. We then forecast the capability of the European Space Agency Euclid satellite (whose launch is planned for 2020), in combination with an hypothetical future γ-ray detector with slightly improved specifications compared to current telescopes. We predict that the cross-correlation of their data will allow a measurement of the DM mass with an uncertainty of a factor of 1.5–2, even for moderate subhalo boosts, for DM masses up to few hundreds of GeV and thermal annihilation rates.
NASA Astrophysics Data System (ADS)
Camera, S.; Fornasa, M.; Fornengo, N.; Regis, M.
2015-06-01
We recently proposed to cross-correlate the diffuse extragalactic γ-ray background with the gravitational lensing signal of cosmic shear. This represents a novel and promising strategy to search for annihilating or decaying particle dark matter (DM) candidates. In the present work, we demonstrate the potential of a tomographic-spectral approach: measuring the cross-correlation in separate bins of redshift and energy significantly improves the sensitivity to a DM signal. Indeed, the technique proposed here takes advantage of the different scaling of the astrophysical and DM components with redshift and, simultaneously of their different energy spectra and different angular extensions. The sensitivity to a particle DM signal is extremely promising even when the DM-induced emission is quite faint. We first quantify the prospects of detecting DM by cross-correlating the Fermi Large Area Telescope (LAT) diffuse γ-ray background with the cosmic shear expected from the Dark Energy Survey. Under the hypothesis of a significant subhalo boost, such a measurement can deliver a 5σ detection of DM, if the DM particle is lighter than 300 GeV and has a thermal annihilation rate. We then forecast the capability of the European Space Agency Euclid satellite (whose launch is planned for 2020), in combination with an hypothetical future γ-ray detector with slightly improved specifications compared to current telescopes. We predict that the cross-correlation of their data will allow a measurement of the DM mass with an uncertainty of a factor of 1.5-2, even for moderate subhalo boosts, for DM masses up to few hundreds of GeV and thermal annihilation rates.
Putranto, Aditya; Chen, Xiao Dong
2017-02-01
During composting, self-heating may occur due to the exothermicities of the chemical and biological reactions. An accurate model for predicting maximum temperature is useful in predicting whether the phenomena would occur and to what extent it would have undergone. Elevated temperatures would lead to undesirable situations such as the release of large amount of toxic gases or sometimes would even lead to spontaneous combustion. In this paper, we report a new model for predicting the profiles of temperature, concentration of oxygen, moisture content and concentration of water vapor during composting. The model, which consists of a set of equations of conservation of heat and mass transfer as well as biological heating term, employs the reaction engineering approach (REA) framework to describe the local evaporation/condensation rate quantitatively. A good agreement between the predicted and experimental data of temperature during composting of sewage sludge is observed. The modeling indicates that the maximum temperature is achieved after some 46weeks of composting. Following this period, the temperature decreases in line with a significant decrease in moisture content and a tremendous increase in concentration of water vapor, indicating the massive cooling effect due to water evaporation. The spatial profiles indicate that the maximum temperature is approximately located at the middle-bottom of the compost piles. Towards the upper surface of the piles, the moisture content and concentration of water vapor decreases due to the moisture transfer to the surrounding. The newly proposed model can be used as reliable simulation tool to explore several geometry configurations and operating conditions for avoiding elevated temperature build-up and self-heating during industrial composting.
NASA Astrophysics Data System (ADS)
Farago, J.; Meyer, H.; Baschnagel, J.; Semenov, A. N.
2012-05-01
A mode-coupling theory (MCT) version (called hMCT thereafter) of a recently presented theory [Farago, Meyer, and Semenov, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.107.178301 107, 178301 (2011)] is developed to describe the diffusional properties of a tagged polymer in a melt. The hMCT accounts for the effect of viscoelastic hydrodynamic interactions (VHIs), that is, a physical mechanism distinct from the density-based MCT (dMCT) described in the first paper of this series. The two versions of the MCT yield two different contributions to the asymptotic behavior of the center-of-mass velocity autocorrelation function (c.m. VAF). We show that in most cases the VHI mechanism is dominant; for long chains and prediffusive times it yields a negative tail ∝-N-1/2t-3/2 for the c.m. VAF. The case of non-momentum-conserving dynamics (Langevin or Monte Carlo) is discussed as well. It generally displays a distinctive behavior with two successive relaxation stages: first -N-1t-5/4 (as in the dMCT approach), then -N-1/2t-3/2. Both the amplitude and the duration of the first t-5/4 stage crucially depend on the Langevin friction parameter γ. All results are also relevant for the early time regime of entangled melts. These slow relaxations of the c.m. VAF, thus account for the anomalous subdiffusive regime of the c.m. mean square displacement widely observed in numerical and experimental works.
Helium diffusion in carbonates
NASA Astrophysics Data System (ADS)
Amidon, W. H.; Cherniak, D. J.; Watson, E. B.; Hobbs, D.
2013-12-01
The abundance and large grain size of carbonate minerals make them a potentially attractive target for 4He thermochronology and 3He cosmogenic dating, although the diffusive properties of helium in carbonates remain poorly understood. This work characterizes helium diffusion in calcite and dolomite to better understand the crystal-chemical factors controlling He transport and retentivity. Slabs of cleaved natural calcite and dolomite, and polished sections of calcite cut parallel or normal to c, were implanted with 3He at 3 MeV with a dose of 5x1015/cm2. Implanted carbonates were heated in 1-atm furnaces, and 3He distributions following diffusion anneals were profiled with Nuclear Reaction Analysis using the reaction 3He(d,p)4He. For 3He transport normal to cleavage surfaces in calcite, we obtain the following Arrhenius relation over the temperature range 78-300°C: Dcalcite = 9.0x10-9exp(-55 × 6 kJ mol-1/RT) m2sec-1. Diffusion in calcite exhibits marked anisotropy, with diffusion parallel to c about two orders of magnitude slower than diffusion normal to cleavage faces. He diffusivities for transport normal to the c-axis are similar in value to those normal to cleavage surfaces. Our findings are broadly consistent with helium diffusivities from step-heating measurements of calcite by Copeland et al. (2007); these bulk degassing data may reflect varying effects of diffusional anisotropy. Helium diffusion normal to cleavage surfaces in dolomite is significantly slower than diffusion in calcite, and has a much higher activation energy for diffusion. For dolomite, we obtain the following Arrhenius relation for He diffusion over the temperature range 150-400°C: Ddolomite = 9.0x10-8exp(-92 × 9 kJ mol-1/RT) m2sec-1. The role of crystallographic structure in influencing these differences among diffusivities was evaluated using the maximum aperture approach of Cherniak and Watson (2011), in which crystallographic structures are sectioned along possible diffusion
NASA Technical Reports Server (NTRS)
Nicolet, M. A.
1983-01-01
The choice of the metallic film for the contact to a semiconductor device is discussed. One way to try to stabilize a contact is by interposing a thin film of a material that has low diffusivity for the atoms in question. This thin film application is known as a diffusion barrier. Three types of barriers can be distinguished. The stuffed barrier derives its low atomic diffusivity to impurities that concentrate along the extended defects of a polycrystalline layer. Sacrificial barriers exploit the fact that some (elemental) thin films react in a laterally uniform and reproducible fashion. Sacrificial barriers have the advantage that the point of their failure is predictable. Passive barriers are those most closely approximating an ideal barrier. The most-studied case is that of sputtered TiN films. Stuffed barriers may be viewed as passive barriers whose low diffusivity material extends along the defects of the polycrystalline host.
NASA Technical Reports Server (NTRS)
1981-01-01
A diffuse celestial radiation which is isotropic at least on a course scale were measured from the soft X-ray region to about 150 MeV, at which energy the intensity falls below that of the galactic emission for most galactic latitudes. The spectral shape, the intensity, and the established degree of isotropy of this diffuse radiation already place severe constraints on the possible explanations for this radiation. Among the extragalactic theories, the more promising explanations of the isotropic diffuse emission appear to be radiation from exceptional galaxies from matter antimatter annihilation at the boundaries of superclusters of galaxies of matter and antimatter in baryon symmetric big bang models. Other possible sources for extragalactic diffuse gamma radiation are discussed and include normal galaxies, clusters of galaxies, primordial cosmic rays interacting with intergalactic matter, primordial black holes, and cosmic ray leakage from galaxies.
NASA Astrophysics Data System (ADS)
Witherden, F. D.; Farrington, A. M.; Vincent, P. E.
2014-11-01
High-order numerical methods for unstructured grids combine the superior accuracy of high-order spectral or finite difference methods with the geometric flexibility of low-order finite volume or finite element schemes. The Flux Reconstruction (FR) approach unifies various high-order schemes for unstructured grids within a single framework. Additionally, the FR approach exhibits a significant degree of element locality, and is thus able to run efficiently on modern streaming architectures, such as Graphical Processing Units (GPUs). The aforementioned properties of FR mean it offers a promising route to performing affordable, and hence industrially relevant, scale-resolving simulations of hitherto intractable unsteady flows within the vicinity of real-world engineering geometries. In this paper we present PyFR, an open-source Python based framework for solving advection-diffusion type problems on streaming architectures using the FR approach. The framework is designed to solve a range of governing systems on mixed unstructured grids containing various element types. It is also designed to target a range of hardware platforms via use of an in-built domain specific language based on the Mako templating engine. The current release of PyFR is able to solve the compressible Euler and Navier-Stokes equations on grids of quadrilateral and triangular elements in two dimensions, and hexahedral elements in three dimensions, targeting clusters of CPUs, and NVIDIA GPUs. Results are presented for various benchmark flow problems, single-node performance is discussed, and scalability of the code is demonstrated on up to 104 NVIDIA M2090 GPUs. The software is freely available under a 3-Clause New Style BSD license (see www.pyfr.org). Catalogue identifier: AETY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETY_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: New style BSD license No. of lines in
Lu, Shih-I
2005-05-15
Ab initio calculations of transition state structure and reaction enthalpy of the F + H2-->HF + H reaction has been carried out by the fixed-node diffusion quantum Monte Carlo method in this study. The Monte Carlo sampling is based on the Ornstein-Uhlenbeck random walks guided by a trial wave function constructed from the floating spherical Gaussian orbitals and spherical Gaussian geminals. The Monte Carlo calculated barrier height of 1.09(16) kcal/mol is consistent with the experimental values, 0.86(10)/1.18(10) kcal/mol, and the calculated value from the multireference-type coupled-cluster (MRCC) calculation with the aug-cc-pVQZ(F)/cc-pVQZ(H) basis set, 1.11 kcal/mol. The Monte Carlo-based calculation also gives a similar value of the reaction enthalpy, -32.00(4) kcal/mol, compared with the experimental value, -32.06(17) kcal/mol, and the calculated value from a MRCC/aug-cc-pVQZ(F)/cc-pVQZ(H) calculation, -31.94 kcal/mol. This study clearly indicates a further application of the random-walk-based approach in the field of quantum chemical calculation.
Reboredo, Fernando A.; Kim, Jeongnim
2014-02-21
A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo, J. Chem. Phys. 136, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. 89, 6316 (1988)]. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric guiding wave functions. In the process we obtain a parallel algorithm that optimizes a small subspace of the many-body Hilbert space to provide maximum overlap with the subspace spanned by the lowest-energy eigenstates of a many-body Hamiltonian. We show in a model system that the partition function is progressively maximized within this subspace. We show that the subspace spanned by the small basis systematically converges towards the subspace spanned by the lowest energy eigenstates. Possible applications of this method for calculating the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can also be used to accelerate the calculation of the ground or excited states with quantum Monte Carlo.
Kim, Jeongnim; Reboredo, Fernando A
2014-01-01
The self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem. Phys. {\\bf 136}, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. {\\bf 89}, 6316 (1988)] are blended to obtain a method for the calculation of thermodynamic properties of many-body systems at low temperatures. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric trial wave functions. A statistical method is derived for the calculation of finite temperature properties of many-body systems near the ground state. In the process we also obtain a parallel algorithm that optimizes the many-body basis of a small subspace of the many-body Hilbert space. This small subspace is optimized to have maximum overlap with the one expanded by the lower energy eigenstates of a many-body Hamiltonian. We show in a model system that the Helmholtz free energy is minimized within this subspace as the iteration number increases. We show that the subspace expanded by the small basis systematically converges towards the subspace expanded by the lowest energy eigenstates. Possible applications of this method to calculate the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can be also used to accelerate the calculation of the ground or excited states with Quantum Monte Carlo.
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures
Liu, Yen Vinokur, Marcel; Panesi, Marco; Sahai, Amal
2015-04-07
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures
NASA Astrophysics Data System (ADS)
Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel
2015-04-01
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.
Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel
2015-04-07
This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy
ERIC Educational Resources Information Center
Darr, Dietrich; Pretzsch, Jurgen
2008-01-01
Purpose: The objective of this paper is to assess the effectiveness of innovation diffusion under group-oriented and individual-oriented extension. Current theoretical notions of innovation diffusion in social networks shall be briefly reviewed, and the concepts of "search" and "innovation" vis-a-vis "transfer" and…
2007-09-13
Tests begun at Stennis Space Center's E Complex Sept. 13 evaluated a liquid oxygen lead for engine start performance, part of the A-3 Test Facility Subscale Diffuser Risk Mitigation Project at SSC's E-3 Test Facility. Phase 1 of the subscale diffuser project, completed Sept. 24, was a series of 18 hot-fire tests using a 1,000-pound liquid oxygen and gaseous hydrogen thruster to verify maximum duration and repeatability for steam generation supporting the A-3 Test Stand project. The thruster is a stand-in for NASA's developing J-2X engine, to validate a 6 percent scale version of A-3's exhaust diffuser. Testing the J-2X at altitude conditions requires an enormous diffuser. Engineers will generate nearly 4,600 pounds per second of steam to reduce pressure inside A-3's test cell to simulate altitude conditions. A-3's exhaust diffuser has to be able to withstand regulated pressure, temperatures and the safe discharge of the steam produced during those tests. Before the real thing is built, engineers hope to work out any issues on the miniature version. Phase 2 testing is scheduled to begin this month.
Ford, W.E. III; Arwood, J.W.; Greene, N.M.; Moses, D.L.; Petrie, L.M.; Primm, R.T. III; Slater, C.O.; Westfall, R.M.; Wright, R.Q.
1990-09-01
Pseudo-problem-independent, multigroup cross-section libraries were generated to support Advanced Neutron Source (ANS) Reactor design studies. The ANS is a proposed reactor which would be fueled with highly enriched uranium and cooled with heavy water. The libraries, designated ANSL-V (Advanced Neutron Source Cross Section Libraries based on ENDF/B-V), are data bases in AMPX master format for subsequent generation of problem-dependent cross-sections for use with codes such as KENO, ANISN, XSDRNPM, VENTURE, DOT, DORT, TORT, and MORSE. Included in ANSL-V are 99-group and 39-group neutron, 39-neutron-group 44-gamma-ray-group secondary gamma-ray production (SGRP), 44-group gamma-ray interaction (GRI), and coupled, 39-neutron group 44-gamma-ray group (CNG) cross-section libraries. The neutron and SGRP libraries were generated primarily from ENDF/B-V data; the GRI library was generated from DLC-99/HUGO data, which is recognized as the ENDF/B-V photon interaction data. Modules from the AMPX and NJOY systems were used to process the multigroup data. Validity of selected data from the fine- and broad-group neutron libraries was satisfactorily tested in performance parameter calculations.
NASA Astrophysics Data System (ADS)
Dion, Maxime
Since deterministic codes use a multigroup scheme, self-shielding calculations are required before one can carry out neutron transport calculations. These calculations are used to obtain multigroup cross sections where flux depressions at resonance energies are properly taken into account. For each system where a transport solution is required, self-shielding calculations must be carried out beforehand. Multigroup cross sections in the resonant energy range are therefore system-dependent quantities. This means that a variation on a reactor parameter, an isotopic density for example, will have an impact on the resonant self-shielded cross sections. It is therefore relevant to distinguish between two types of effects resulting from a variation on a given parameter. This parameter can explicitly appear in the transport equation (for example, an isotopic density explicitly appears through the macroscopic cross sections of the corresponding mixture) and perturb the multiplication factor keff (or any other quantity obtained from solving the transport equation). This is called an explicit effect. This parameter variation can also affect self-shielding calculations and perturb resonant multigroup cross sections, which can themselves cause a variation of keff. This is what we refer to as an implicit effect. In general, the keff perturbations resulting from the implicit effect have the opposite sign of those resulting from the explicit effect. When a variation on a parameter leads to a perturbation on another parameter, following a transport calculation for instance, we can compute sensitivity coefficients between those two parameters. In this thesis, we consider the self-shielded cross sections and keff sensitivity coefficients to isotopic densities. More precisely, we develop methods to compute the self-shielded cross sections sensitivity to densities arising from two different self-shielding models, an equivalent dilution model and a subgroup model. Once these
Diffusion methodology: time to innovate?
Meyer, Gary
2004-01-01
Over the past 60 years, thousands of diffusion studies have been conducted in numerous disciplines of study including sociology, education, communication, marketing, and pubic health. With few exceptions, these studies have been driven by a methodological approach that has become institutionalized in diffusion research. This approach is characterized by the collection of quantitative data about one innovation gathered from adopters at a single point in time after widespread diffusion has occurred. This dominant approach is examined here in terms of both its strengths and weaknesses and with regard to its contribution to the collective base of understanding the diffusion of innovations. Alternative methodological approaches are proposed and reviewed with consideration for the means by which they may expand the knowledge base.
ERIC Educational Resources Information Center
Dou, Remy; Hogan, DaNel; Kossover, Mark; Spuck, Timothy; Young, Sarah
2013-01-01
Diffusion has often been taught in science courses as one of the primary ways by which molecules travel, particularly within organisms. For years, classroom teachers have used the same common demonstrations to illustrate this concept (e.g., placing drops of food coloring in a beaker of water). Most of the time, the main contributor to the motion…
ERIC Educational Resources Information Center
Foy, Barry G.
1977-01-01
Two demonstrations are described. Materials and instructions for demonstrating movement of molecules into cytoplasm using agar blocks, phenolphthalein, and sodium hydroxide are given. A simple method for demonstrating that the rate of diffusion of a gas is inversely proportional to its molecular weight is also presented. (AJ)
ERIC Educational Resources Information Center
Dou, Remy; Hogan, DaNel; Kossover, Mark; Spuck, Timothy; Young, Sarah
2013-01-01
Diffusion has often been taught in science courses as one of the primary ways by which molecules travel, particularly within organisms. For years, classroom teachers have used the same common demonstrations to illustrate this concept (e.g., placing drops of food coloring in a beaker of water). Most of the time, the main contributor to the motion…
ERIC Educational Resources Information Center
Foy, Barry G.
1977-01-01
Two demonstrations are described. Materials and instructions for demonstrating movement of molecules into cytoplasm using agar blocks, phenolphthalein, and sodium hydroxide are given. A simple method for demonstrating that the rate of diffusion of a gas is inversely proportional to its molecular weight is also presented. (AJ)
Taylor, Clive R
2009-12-01
The 2008 World Health Organization Classification of Tumors of the Haematopoietic and Lymphoid Tissues defines current standards of practice for the diagnosis and classification of malignant lymphomas and related entities. More than 50 different types of lymphomas are described. Faced with such a broad range of different lymphomas, some encountered only rarely, and a rapidly growing armamentarium of 80 or more pertinent immunohistochemical (IHC) "stains," the challenge to the pathologist is to use IHC in an efficient manner to arrive at an assured and timely diagnosis. This review uses deductive reasoning following a decision tree or dendrogram model, combining basic morphologic patterns and common IHC markers to classify node-based malignancies by the World Health Organization schema. The review is divided into 2 parts, the first addressing those lymphomas that produce a follicular or nodular pattern of lymph nodal involvement appeared in the previous issue of AIMM. The second part addresses diffuse proliferations in lymph nodes. Emphasis is given to the more common lymphomas and the more commonly available IHC "stains" for a pragmatic and practical approach that is both broadly feasible and cost-effective. By this method, an assured diagnosis may be reached in the majority of nodal lymphomas, at the same time developing a sufficiency of data to recognize those rare or atypical cases that require referral to a specialized center.
Apparent diffusion profile estimation from high angular resolution diffusion images
NASA Astrophysics Data System (ADS)
Descoteaux, Maxime; Angelino, Elaine; Fitzgibbons, Shaun; Deriche, Rachid
2006-03-01
High angular resolution diffusion imaging (HARDI) has recently been of great interest to characterize non-Gaussian diffusion process. In the white matter of the brain, this occurs when fiber bundles cross, kiss or diverge within the same voxel. One of the important goal is to better describe the apparent diffusion process in these multiple fiber regions, thus overcoming the limitations of classical diffusion tensor imaging (DTI). In this paper, we design the appropriate mathematical tools to describe noisy HARDI data. Using a meaningful modified spherical harmonics basis to capture the physical constraints of the problem, we propose a new regularization algorithm to estimate a smoother and closer diffusivity profile to the true diffusivities without noise. We exploit properties of the spherical harmonics to define a smoothing term based on the Laplace-Beltrami for functions defined on the unit sphere. An additional contribution of the paper is the derivation of the general transformation taking the spherical harmonics coefficients to the high order tensor independent elements. This allows the careful study of the state of the art high order anisotropy measures computed from either spherical harmonics or tensor coefficients. We analyze their ability to characterize the underlying diffusion process. We are able to recover voxels with isotropic, single fiber anisotropic and multiple fiber anisotropic diffusion. We test and validate the approach on diffusion profiles from synthetic data and from a biological rat phantom.
Anderson, Robert C.
1976-06-22
1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.
Benoist, P. ); Carta, M. ); Palmiotti, G. ); Salvatores, M. )
1989-11-01
A method to calculate the effectiveness of the control assembly in a fast neutron reactor is proposed. For each type of heterogeneous assembly (control or follower), a polar parameter, taking into account the assembly absorption and the axial leakage of neutrons inside the assembly, is defined. In a similar way, a bipolar parameter, taking into account the reaction of the assembly to a transverse flux gradient, is also defined. These two parameters, deduced from transport theory, are used to determine the absorption cross section and the diffusion coefficient of an equivalent homogeneous control or follower assembly. These new parameters are introduced in a one-group diffusion code, calculating the reactor as a whole with any number of control and follower assemblies. An approximate generalization to multigroup theory is proposed. Numerical comparisons show that this equivalent diffusion method gives results that are much closer to transport results than those obtained by the classical diffusion theory.
Allingham, Michael J.; Mukherjee, Dibyendu; Lally, Erin B.; Rabbani, Hossein; Mettu, Priyatham S.; Cousins, Scott W.; Farsiu, Sina
2017-01-01
Purpose We use semiautomated segmentation of fluorescein angiography (FA) to determine whether anti-vascular endothelial growth factor (VEGF) treatment for diabetic macular edema (DME) differentially affects microaneurysm (MA)–associated leakage, termed focal leakage, versus non-MA–associated leakage, termed diffuse leakage. Methods We performed a retrospective study of 29 subjects treated with at least three consecutive injections of anti-VEGF agents for DME (mean 4.6 injections; range, 3–10) who underwent Heidelberg FA before and after anti-VEGF therapy. Inclusion criteria were macula center involving DME and at least 3 consecutive anti-VEGF injections. Exclusion criteria were macular edema due to cause besides DME, anti-VEGF within 3 months of initial FA, concurrent treatment for DME besides anti-VEGF, and macular photocoagulation within 1 year. At each time point, total leakage was semiautomatically segmented using a modified version of our previously published software. Microaneurysms were identified by an expert grader and leakage within a 117 μm radius of each MA was classified as focal leakage. Remaining leakage was classified as diffuse leakage. The absolute and percent changes in total, diffuse, and focal leakage were calculated for each subject. Results Mean pretreatment total leakage was 8.2 mm2 and decreased by a mean of 40.1% (P < 0.0001; 95% confidence interval [CI], [−28.6, −52.5]) following treatment. Diffuse leakage decreased by a mean of 45.5% (P < 0.0001; 95% CI, [−31.3, −59.6]) while focal leakage decreased by 17.9% (P = 0.02; 95% CI, [−1.0, −34.8]). The difference in treatment response between focal and diffuse leakage was statistically significant (P = 0.01). Conclusions Anti-VEGF treatment for DME results in decreased diffuse leakage but had relatively little effect on focal leakage as assessed by FA. This suggests that diffuse leakage may be a marker of VEGF-mediated pathobiology. Patients with predominantly focal leakage
Extended source model for diffusive coupling.
González-Ochoa, Héctor O; Flores-Moreno, Roberto; Reyes, Luz M; Femat, Ricardo
2016-01-01
Motivated by the prevailing approach to diffusion coupling phenomena which considers point-like diffusing sources, we derived an analogous expression for the concentration rate of change of diffusively coupled extended containers. The proposed equation, together with expressions based on solutions to the diffusion equation, is intended to be applied to the numerical solution of systems exclusively composed of ordinary differential equations, however is able to account for effects due the finite size of the coupled sources.
Optimal Network Modularity for Information Diffusion
NASA Astrophysics Data System (ADS)
Nematzadeh, Azadeh; Ferrara, Emilio; Flammini, Alessandro; Ahn, Yong-Yeol
2014-08-01
We investigate the impact of community structure on information diffusion with the linear threshold model. Our results demonstrate that modular structure may have counterintuitive effects on information diffusion when social reinforcement is present. We show that strong communities can facilitate global diffusion by enhancing local, intracommunity spreading. Using both analytic approaches and numerical simulations, we demonstrate the existence of an optimal network modularity, where global diffusion requires the minimal number of early adopters.
Self-diffusion in liquid interfaces.
Herth, Simone; Ye, Feng; Eggersmann, Martin; Gutfleisch, Oliver; Würschum, Roland
2004-03-05
For studying self-diffusion in liquid interfaces, 59Fe tracer diffusion was measured on ultrafine-grained Nd2Fe14B which undergoes an intergranular melting transition for low Nd excess. The diffusion coefficient in the intergranular liquid layers is found to be lower than in bulk melts indicating a hampered atomic mobility due to confinement. Well above the intergranular melting transition, the diffusivity in the liquid interfaces approaches a value characteristic for bulk melts.
Stieger, Stefan; Kandler, Christian; Tran, Ulrich S; Pietschnig, Jakob; Voracek, Martin
2017-03-01
In today's world, researchers frequently utilize indirect measures of implicit (i.e., automatic, spontaneous) evaluations. The results of several studies have supported the usefulness of these measures in predicting behavior, as compared to utilizing direct measures of explicit (i.e., purposeful, deliberate) evaluations. A current, under-debate issue concerns the origin of these implicit evaluations. The present genetically sensitive multi-group study analyzed data from 223 twin pairs and 222 biological core families to estimate possible genetic and environmental sources of individual differences in implicit and explicit self-esteem and affect. The results show that implicit self-esteem and affect maintain a substantial genetic basis, but demonstrate little influence from the shared environment by siblings (e.g., shared familial socialization in childhood). A bivariate analysis found that implicit and explicit evaluations of the same construct share a common genetic core which aligns with the motivation and opportunity as determinants (MODE) model.
Chakawa, Ayanda; Butler, Robert C; Shapiro, Steven K
2015-10-01
The purpose of this study was to examine the psychometric properties of the Multigroup Ethnic Identity Measure-Revised (MEIM-R), focusing on a sample drawn from a geographic region in the United States that has not been included in previously published research on the MEIM-R. Data were obtained from a community-based sample of 105 African American (AA) and 91 European American (EA) adults located in the state of Alabama. The MEIM-R was best represented by two constructs-exploration and commitment. AA adults reported higher levels of racial/ethnic identity exploration and commitment than EA adults. Differential item functioning was found among 1 of the exploration items. The current study provides additional support for the structural validity of the MEIM-R. Further research on the invariance of responses to the MEIM-R across a variety of sociodemographic factors is still necessary.
NASA Astrophysics Data System (ADS)
Mullin, William
2014-05-01
Transverse spin diffusion is a relatively new transport coefficient and a review of its history and physical basis will be presented. In NMR spin diffusion is often measured by spin echo techniques, which involve spin currents perpendicular to the direction of the magnetization, in contrast with the usual longitudinal case where the current is parallel to the magnetization. The first indication that this involved new physics was the Leggett-Rice effect (1970) in which spin waves, new spin-echo behavior, and an altered spin diffusion coefficient were predicted in liquid 3He. This effect gave the possibility of the first measurement of F1a, the parameter of the Landau Fermi-liquid theory mean-field responsible for the effect. In 1982 Lhuillier and Laloe found a transport equation very similar to the Leggett equation, but valid for highly-polarized dilute Boltzmann Bose and Fermi gases, and describing the ``identical spin rotation effect'' (ISRE), the analog of a Landau mean field. Coincidentally Bashkin and Meyerovich had also given equivalent descriptions of transport in polarized Boltzmann gases. That a mean-field effect could exists in dilute Boltzmann gases was theoretically surprising, but was confirmed experimentally. At low polarization the basic transverse diffusion constant D⊥ coincides with the longitudinal value D∥ however Meyerovich first pointed out that they could differ in highly polarized degenerate gases. Indeed detailed calculations (Jeon and Mullin) showed that, while D∥ is proportional to T-2, D⊥ approaches a constant (depending on polarization) at low T. Considerable controversy existed until experimental verification was achieved in 2004. The importance of ISRE again arose in 2008 as the basis of ``anomalous spin-state segregation'' in Duke and JILA experiments. More recently application of the ideas of transverse spin diffusion to strongly interacting Fermi gases has resulted in the observation of the diffusion constants at the quantum
Gifford, Kent A; Wareing, Todd A; Failla, Gregory; Horton, John L; Eifel, Patricia J; Mourtada, Firas
2009-12-03
A patient dose distribution was calculated by a 3D multi-group S N particle transport code for intracavitary brachytherapy of the cervix uteri and compared to previously published Monte Carlo results. A Cs-137 LDR intracavitary brachytherapy CT data set was chosen from our clinical database. MCNPX version 2.5.c, was used to calculate the dose distribution. A 3D multi-group S N particle transport code, Attila version 6.1.1 was used to simulate the same patient. Each patient applicator was built in SolidWorks, a mechanical design package, and then assembled with a coordinate transformation and rotation for the patient. The SolidWorks exported applicator geometry was imported into Attila for calculation. Dose matrices were overlaid on the patient CT data set. Dose volume histograms and point doses were compared. The MCNPX calculation required 14.8 hours, whereas the Attila calculation required 22.2 minutes on a 1.8 GHz AMD Opteron CPU. Agreement between Attila and MCNPX dose calculations at the ICRU 38 points was within +/- 3%. Calculated doses to the 2 cc and 5 cc volumes of highest dose differed by not more than +/- 1.1% between the two codes. Dose and DVH overlays agreed well qualitatively. Attila can calculate dose accurately and efficiently for this Cs-137 CT-based patient geometry. Our data showed that a three-group cross-section set is adequate for Cs-137 computations. Future work is aimed at implementing an optimized version of Attila for radiotherapy calculations.
Kramers turnover: From energy diffusion to spatial diffusion using metadynamics
Tiwary, Pratyush; Berne, B. J.
2016-01-01
We consider the rate of transition for a particle between two metastable states coupled to a thermal environment for various magnitudes of the coupling strength using the recently proposed infrequent metadynamics approach [P. Tiwary and M. Parrinello, Phys. Rev. Lett. 111, 230602 (2013)]. We are interested in understanding how this approach for obtaining rate constants performs as the dynamics regime changes from energy diffusion to spatial diffusion. Reassuringly, we find that the approach works remarkably well for various coupling strengths in the strong coupling regime, and to some extent even in the weak coupling regime. PMID:27059558
Mekkaoui, Choukri; Reese, Timothy G.; Jackowski, Marcel P.; Bhat, Himanshu
2015-01-01
Diffusion MRI provides unique information on the structure, organization, and integrity of the myocardium without the need for exogenous contrast agents. Diffusion MRI in the heart, however, has proven technically challenging because of the intrinsic non‐rigid deformation during the cardiac cycle, displacement of the myocardium due to respiratory motion, signal inhomogeneity within the thorax, and short transverse relaxation times. Recently developed accelerated diffusion‐weighted MR acquisition sequences combined with advanced post‐processing techniques have improved the accuracy and efficiency of diffusion MRI in the myocardium. In this review, we describe the solutions and approaches that have been developed to enable diffusion MRI of the heart in vivo, including a dual‐gated stimulated echo approach, a velocity‐ (M 1) or an acceleration‐ (M 2) compensated pulsed gradient spin echo approach, and the use of principal component analysis filtering. The structure of the myocardium and the application of these techniques in ischemic heart disease are also briefly reviewed. The advent of clinical MR systems with stronger gradients will likely facilitate the translation of cardiac diffusion MRI into clinical use. The addition of diffusion MRI to the well‐established set of cardiovascular imaging techniques should lead to new and complementary approaches for the diagnosis and evaluation of patients with heart disease. © 2015 The Authors. NMR in Biomedicine published by John Wiley & Sons Ltd. PMID:26484848
Levenson, L.
1963-09-01
A high-vacuum diffusion pump is described, featuring a novel housing geometry for enhancing pumping speed. An upright, cylindrical lower housing portion is surmounted by a concentric, upright, cylindrical upper housing portion of substantially larger diameter; an uppermost nozzle, disposed concentrically within the upper portion, is adapted to eject downwardly a conical sheet of liquid outwardly to impinge upon the uppermost extremity of the interior wall of the lower portion. Preferably this nozzle is mounted upon a pedestal rising coaxially from within the lower portion and projecting up into said upper portion. (AEC)
Peigney, B. E.; Larroche, O.
2014-12-15
In this article, we study the hydrodynamics and burn of the thermonuclear fuel in inertial confinement fusion pellets at the ion kinetic level. The analysis is based on a two-velocity-scale Vlasov-Fokker-Planck kinetic model that is specially tailored to treat fusion products (suprathermal α-particles) in a self-consistent manner with the thermal bulk. The model assumes spherical symmetry in configuration space and axial symmetry in velocity space around the mean flow velocity. A typical hot-spot ignition design is considered. Compared with fluid simulations where a multi-group diffusion scheme is applied to model α transport, the full ion-kinetic approach reveals significant non-local effects on the transport of energetic α-particles. This has a direct impact on hydrodynamic spatial profiles during combustion: the hot spot reactivity is reduced, while the inner dense fuel layers are pre-heated by the escaping α-suprathermal particles, which are transported farther out of the hot spot. We show how the kinetic transport enhancement of fusion products leads to a significant reduction of the fusion yield.
Review of enhanced vapor diffusion in porous media
Webb, S.W.; Ho, C.K.
1998-08-01
Vapor diffusion in porous media in the presence of its own liquid has often been treated similar to gas diffusion. The gas diffusion rate in porous media is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. Existing data and models for enhanced vapor diffusion, including those in TOUGH2, are reviewed in this paper.
Vlaskin, Vladimir A; Barrows, Charles J; Erickson, Christian S; Gamelin, Daniel R
2013-09-25
A diffusion-based synthesis of doped colloidal semiconductor nanocrystals is demonstrated. This approach involves thermodynamically controlled addition of both impurity cations and host anions to preformed seed nanocrystals under equilibrium conditions, rather than kinetically controlled doping during growth. This chemistry allows thermodynamic crystal compositions to be prepared without sacrificing other kinetically trapped properties such as shape, size, or crystallographic phase. This doping chemistry thus shares some similarities with cation-exchange reactions, but proceeds without the loss of host cations and excels at the introduction of relatively unreactive impurity ions that have not been previously accessible using cation exchange. Specifically, we demonstrate the preparation of Cd(1-x)Mn(x)Se (0 ≤ x ≤ ∼0.2) nanocrystals with narrow size distribution, unprecedentedly high Mn(2+) content, and very large magneto-optical effects by diffusion of Mn(2+) into seed CdSe nanocrystals grown by hot injection. Controlling the solution and lattice chemical potentials of Cd(2+) and Mn(2+) allows Mn(2+) diffusion into the internal volumes of the CdSe nanocrystals with negligible Ostwald ripening, while retaining the crystallographic phase (wurtzite or zinc blende), shape anisotropy, and ensemble size uniformity of the seed nanocrystals. Experimental results for diffusion doping of other nanocrystals with other cations are also presented that indicate this method may be generalized, providing access to a variety of new doped semiconductor nanostructures not previously attainable by kinetic routes or cation exchange.
Diffusion in jammed particle packs
NASA Astrophysics Data System (ADS)
Bolintineanu, Dan S.; Silbert, Leonardo E.; Grest, Gary S.; Lechman, Jeremy B.
2015-03-01
Diffusive transport in jammed particle packs is of interest for a number of applications, as well as being a potential indicator of structural properties near the jamming point. To this end, we report stochastic simulations of equilibrium diffusion through monodisperse sphere packs near the jamming point in the limit of a perfectly insulating surrounding medium. The time dependence of various diffusion properties is resolved over several orders of magnitude. Two time regimes of expected Fickian diffusion are observed, separated by an intermediate regime of anomalous diffusion. This intermediate regime grows as the particle volume fraction approaches the critical jamming transition. The diffusion behavior is fully controlled by the extent of the contacts between neighboring particles, which in turn depend on proximity to the jamming point. In particular, the mean first passage time associated with the escape of random walkers between neighboring particles is shown to control both the time to recover Fickian diffusion and the long time diffusivity. Scaling laws are established that relate these quantities to the difference between the actual and critical jamming volume fractions. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under Contract DE- AC04-94AL85000.
Diffusion and scattering in multifractal clouds
Lovejoy, S.; Schertzer, D.; Waston, B.
1996-04-01
This paper describes investigations of radiative properties of multifractal clouds using two different approaches. In the first, diffusion is considered by examining the scaling properties of one dimensional random walks on media with multifractal diffusivities. The second approach considers the scattering statistics associated with radiative transport.
NASA Astrophysics Data System (ADS)
Papac, Joseph; Helgadottir, Asdis; Ratsch, Christian; Gibou, Frederic
2013-01-01
We present a numerical method for simulating diffusion dominated phenomena on irregular domains and free moving boundaries with Robin boundary conditions on quadtree/octree adaptive meshes. In particular, we use a hybrid finite-difference and finite-volume framework that combines the level-set finite difference discretization of Min and Gibou (2007) [13] with the treatment of Robin boundary conditions of Papac et al. (2010) [19] on uniform grids. We present numerical results in two and three spatial dimensions on the diffusion equation and on a Stefan-type problem. In addition, we present an application of this method to the case of the simulation of the Ehrlich-Schwoebel barrier in the context of epitaxial growth.
Dharani, S; Rakkiyappan, R; Cao, Jinde; Alsaedi, Ahmed
2017-08-01
This paper explores the problem of synchronization of a class of generalized reaction-diffusion neural networks with mixed time-varying delays. The mixed time-varying delays under consideration comprise of both discrete and distributed delays. Due to the development and merits of digital controllers, sampled-data control is a natural choice to establish synchronization in continuous-time systems. Using a newly introduced integral inequality, less conservative synchronization criteria that assure the global asymptotic synchronization of the considered generalized reaction-diffusion neural network and mixed delays are established in terms of linear matrix inequalities (LMIs). The obtained easy-to-test LMI-based synchronization criteria depends on the delay bounds in addition to the reaction-diffusion terms, which is more practicable. Upon solving these LMIs by using Matlab LMI control toolbox, a desired sampled-data controller gain can be acuqired without any difficulty. Finally, numerical examples are exploited to express the validity of the derived LMI-based synchronization criteria.
NASA Technical Reports Server (NTRS)
Karimi, Majid
1993-01-01
Understanding surface diffusion is essential in understanding surface phenomena, such as crystal growth, thin film growth, corrosion, physisorption, and chemisorption. Because of its importance, various experimental and theoretical efforts have been directed to understand this phenomena. The Field Ion Microscope (FIM) has been the major experimental tool for studying surface diffusion. FIM have been employed by various research groups to study surface diffusion of adatoms. Because of limitations of the FIM, such studies are only limited to a few surfaces: nickel, platinum, aluminum, iridium, tungsten, and rhodium. From the theoretical standpoint, various atomistic simulations are performed to study surface diffusion. In most of these calculations the Embedded Atom Method (EAM) along with the molecular static (MS) simulation are utilized. The EAM is a semi-empirical approach for modeling the interatomic interactions. The MS simulation is a technique for minimizing the total energy of a system of particles with respect to the positions of its particles. One of the objectives of this work is to develop the EAM functions for Cu and use them in conjunction with the molecular static (MS) simulation to study diffusion of a Cu atom on a perfect as well as stepped Cu(100) surfaces. This will provide a test of the validity of the EAM functions on Cu(100) surface and near the stepped environments. In particular, we construct a terrace-ledge-kink (TLK) model and calculate the migration energies of an atom on a terrace, near a ledge site, near a kink site, and going over a descending step. We have also calculated formation energies of an atom on the bare surface, a vacancy in the surface, a stepped surface, and a stepped-kink surface. Our results are compared with the available experimental and theoretical results.
Nonlocal electrical diffusion equation
NASA Astrophysics Data System (ADS)
Gómez-Aguilar, J. F.; Escobar-Jiménez, R. F.; Olivares-Peregrino, V. H.; Benavides-Cruz, M.; Calderón-Ramón, C.
2016-07-01
In this paper, we present an analysis and modeling of the electrical diffusion equation using the fractional calculus approach. This alternative representation for the current density is expressed in terms of the Caputo derivatives, the order for the space domain is 0<β≤1 and for the time domain is 0<γ≤2. We present solutions for the full fractional equation involving space and time fractional derivatives using numerical methods based on Fourier variable separation. The case with spatial fractional derivatives leads to Levy flight type phenomena, while the time fractional equation is related to sub- or super diffusion. We show that the mathematical concept of fractional derivatives can be useful to understand the behavior of semiconductors, the design of solar panels, electrochemical phenomena and the description of anomalous complex processes.
Takeda, M.; Hiratsuka, T.; Ito, K.; Finsterle, S.
2011-02-01
Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an
Engelhorn, Tobias; Michelson, Georg; Waerntges, Simone; Hempel, Susanne; El-Rafei, Ahmed; Struffert, Tobias; Doerfler, Arnd
2012-04-01
The aims of this study was to evaluate, using 3-T diffusion tensor imaging, changes of fractional anisotropy (FA) in the orbital and intracranial part of the optic nerve (ON), the optic chiasm, the lateral geniculate nucleus, and different parts of the optic radiation (OR) in patients with glaucoma compared to controls and to determine whether FA correlates with disease severity. Twenty patients with glaucoma and 22 age-matched controls were examined using 3-T diffusion tensor imaging. Regions of interest were positioned on the FA maps, and mean values were calculated for each ON, optic chiasm, lateral geniculate nucleus, and OR. Results were compared to those from controls and correlated with ON atrophy and reduced spatial-temporal contrast sensitivity of the retina. Compared to controls, FA in patients with glaucoma was significantly lower in the intracranial part of the ON (0.48 ± 0.15 vs 0.66 ± 0.12, P < .05) and in the OR (0.40 ± 0.16 to 0.48 ± 0.17 vs 0.53 ± 0.20 to 0.64 ± 0.11, P < .05). A high correlation between reduced FA in the intracranial ON and OR and ON atrophy and spatial-temporal contrast sensitivity of the retina was observed (r > 0.81). Otherwise, there was no significant difference in FA between patients with glaucoma and controls measured in the orbital part of the ON, optic chiasm, and lateral geniculate nucleus. Diffusion tensor imaging at 3 T allows robust FA measurements in the intracranial part of the ON and the OR. FA is significantly reduced in patients with glaucoma compared to controls, with a good correlation with established ophthalmologic examinations. Copyright Â© 2012 AUR. Published by Elsevier Inc. All rights reserved.
Estève, Williams; Lhuillier, Francine; Ravera, Christel; Grzebyck, Michel; Langlois, Eddy
2013-01-01
Exposure to organic vapors in the workplace is a source of occupational risk. Admissible exposure levels are tightly regulated and must be closely monitored. However, the complexity and slowness of the existing complete protocols to determine diffusive uptake rates through passive sampling have limited the use of this tool despite obvious advantages. In this study, we experimentally validate two simplified protocols to determine diffusive uptake rates with passive sampling. The proposed 2(6-3) and 2(6-2) fractional factorial designs were validated for toluene sampling using a (Gas Adsorbent Badge for Individual Exposure) GABIE-activated charcoal sampler in a controlled atmosphere. The uptake rate for this sampler had been determined previously using a full protocol. The uptake rates for all three protocols were similar, indicating that the proposed new designs can be substituted for classical full protocols. After validation of our protocols, uptake rates for new substances used as fuel additives (methyl and ethyl tert-butyl ethers, MTBE and ETBE) were determined on the same sampler using the 2(6-2) design. In these experiments, temperature appears to have a non-negligible influence on the uptake rates measured for these compounds. With some precautions of usage (ambient temperature below a determined limit temperature or at least exposure time ≥4 h) and storage (storage temperature = 4°C) of the sampler, the experimental diffusive uptake rates determined by this method can be used with good confidence. Field experiments confirmed the experimental results, showing good agreement between active and passive sampling using the experimentally determined uptake rates.
Péhourcq, Fabienne; Matoga, Myriam; Bannwarth, Bernard
2004-02-01
A quantitative structure-activity relationship (QSAR) analysis of a series of arylpropionic acid non-steroidal anti-inflammatory drugs (NSAIDs) has been performed to determine which physicochemical properties of these compounds are involved in their diffusion into the cerebrospinal fluid (CSF). The penetration of eight arylpropionic acid derivatives into CSF was studied in male Wistar rats. After intraperitoneal administration of each compound (5 mg/kg), blood and CSF samples were collected at different times (0.5, 1, 3 and 6 h). The fraction unbound to plasma protein was determined using ultrafiltration. The areas under the curve of the free plasma (AUCF) and CSF (AUCCSF) concentrations were calculated according to the trapezoidal rule. The overall drug transit into CSF was estimated by the ratio RAUC (AUCCSF : AUCF). The lipophilicity was expressed as the chromatographic capacity factor (log kIAM) determined by high-performance liquid chromatography on an immobilized artificial membrane (IAM) column. A significant parabolic relationship was sought between lipophilicity (log kIAM) and the capacity of diffusion across the blood-brain barrier (log RAUC) (r = 0.928; P < 0.01). The arylpropionic acid NSAIDs exhibiting a lipophilicity value between 1.1 and 1.7 entered the CSF easily (RAUC > 1). The molecular weight (MW) was included in this parabolic relationship by means of a multiple regression analysis. This physicochemical parameter improved the correlation (r = 0.976; P < 0.005). Based on our findings, diffusion of arylpropionic acid NSAIDs into CSF appears to depend primarily on their lipophilicity and MW.
Schunert, Sebastian; Wang, Yaqi; Gleicher, Frederick; ...
2017-02-21
This paper presents a flexible nonlinear diffusion acceleration (NDA) method that discretizes both the SN transport equation and the diffusion equation using the discontinuous finite element method (DFEM). The method is flexible in that the diffusion equation can be discretized on a coarser mesh with the only restriction that it is nested within the transport mesh and the FEM shape function orders of the two equations can be different. The consistency of the transport and diffusion solutions at convergence is defined by using a projection operator mapping the transport into the diffusion FEM space. The diffusion weak form is basedmore » on the modified incomplete interior penalty (MIP) diffusion DFEM discretization that is extended by volumetric drift, interior face, and boundary closure terms. In contrast to commonly used coarse mesh finite difference (CMFD) methods, the presented NDA method uses a full FEM discretized diffusion equation for acceleration. Suitable projection and prolongation operators arise naturally from the FEM framework. Via Fourier analysis and numerical experiments for a one-group, fixed source problem the following properties of the NDA method are established for structured quadrilateral meshes: (1) the presented method is unconditionally stable and effective in the presence of mild material heterogeneities if the same mesh and identical shape functions either of the bilinear or biquadratic type are used, (2) the NDA method remains unconditionally stable in the presence of strong heterogeneities, (3) the NDA method with bilinear elements extends the range of effectiveness and stability by a factor of two when compared to CMFD if a coarser diffusion mesh is selected. In addition, the method is tested for solving the C5G7 multigroup, eigenvalue problem using coarse and fine mesh acceleration. Finally, while NDA does not offer an advantage over CMFD for fine mesh acceleration, it reduces the iteration count required for convergence by almost
NASA Astrophysics Data System (ADS)
Schunert, Sebastian; Wang, Yaqi; Gleicher, Frederick; Ortensi, Javier; Baker, Benjamin; Laboure, Vincent; Wang, Congjian; DeHart, Mark; Martineau, Richard
2017-06-01
This work presents a flexible nonlinear diffusion acceleration (NDA) method that discretizes both the SN transport equation and the diffusion equation using the discontinuous finite element method (DFEM). The method is flexible in that the diffusion equation can be discretized on a coarser mesh with the only restriction that it is nested within the transport mesh and the FEM shape function orders of the two equations can be different. The consistency of the transport and diffusion solutions at convergence is defined by using a projection operator mapping the transport into the diffusion FEM space. The diffusion weak form is based on the modified incomplete interior penalty (MIP) diffusion DFEM discretization that is extended by volumetric drift, interior face, and boundary closure terms. In contrast to commonly used coarse mesh finite difference (CMFD) methods, the presented NDA method uses a full FEM discretized diffusion equation for acceleration. Suitable projection and prolongation operators arise naturally from the FEM framework. Via Fourier analysis and numerical experiments for a one-group, fixed source problem the following properties of the NDA method are established for structured quadrilateral meshes: (1) the presented method is unconditionally stable and effective in the presence of mild material heterogeneities if the same mesh and identical shape functions either of the bilinear or biquadratic type are used, (2) the NDA method remains unconditionally stable in the presence of strong heterogeneities, (3) the NDA method with bilinear elements extends the range of effectiveness and stability by a factor of two when compared to CMFD if a coarser diffusion mesh is selected. In addition, the method is tested for solving the C5G7 multigroup, eigenvalue problem using coarse and fine mesh acceleration. While NDA does not offer an advantage over CMFD for fine mesh acceleration, it reduces the iteration count required for convergence by almost a factor of two in
Diffusion archeology for diffusion progression history reconstruction.
Sefer, Emre; Kingsford, Carl
2016-11-01
Diffusion through graphs can be used to model many real-world processes, such as the spread of diseases, social network memes, computer viruses, or water contaminants. Often, a real-world diffusion cannot be directly observed while it is occurring - perhaps it is not noticed until some time has passed, continuous monitoring is too costly, or privacy concerns limit data access. This leads to the need to reconstruct how the present state of the diffusion came to be from partial diffusion data. Here, we tackle the problem of reconstructing a diffusion history from one or more snapshots of the diffusion state. This ability can be invaluable to learn when certain computer nodes are infected or which people are the initial disease spreaders to control future diffusions. We formulate this problem over discrete-time SEIRS-type diffusion models in terms of maximum likelihood. We design methods that are based on submodularity and a novel prize-collecting dominating-set vertex cover (PCDSVC) relaxation that can identify likely diffusion steps with some provable performance guarantees. Our methods are the first to be able to reconstruct complete diffusion histories accurately in real and simulated situations. As a special case, they can also identify the initial spreaders better than the existing methods for that problem. Our results for both meme and contaminant diffusion show that the partial diffusion data problem can be overcome with proper modeling and methods, and that hidden temporal characteristics of diffusion can be predicted from limited data.