Model-Independent Characterization of Charge Diffusion in Thick Fully Depleted CCDs

International Nuclear Information System (INIS)

O'Connor, P.; Takacs, P.; Lawrence, D.; Frank, J.

2011-01-01

We present a new method to measure charge diffusion in charge-coupled devices (CCDs). The method is based on a statistical characterization of the shapes of charge clouds produced by low-energy X-rays using known properties of the two-dimensional Gaussian point-spread function (PSF). The algorithm produces reliable upper and lower bounds on the size of the PSF for photons converting near the entrance window of a device. It is optimally suited to the case of thick back-illuminated CCDs where the X-ray absorption length is smaller than the silicon thickness and the diffusion scale is of the same order as the pixel size. The only assumptions are that the charge cloud width is a monotonically increasing function of distance from the conversion point to the buried channel, and that the conversion probability is peaked at the surface. Otherwise, no physical models of carrier transport or knowledge of the electric field profile in the CCD are needed. In suboptimal conditions, the upper bound increases and the lower bound is unaffected, so confidence in the correctness of results is retained. The new method has been benchmarked against Monte Carlo simulations and tested on X-ray images measured on thick high-resistivity prototype CCDs for the Large Synoptic Survey Telescope. In Monte Carlo simulations of noiseless images having the optimal diffusion scale, the upper bound approximated the true PSF within 5%, increasing to 10% in simulations with added noise. Even with severely undersampled or truncated PSFs, the method brackets the true value to within 25%. Our method is accurate and computationally efficient and offers a fast and simple experimental setup.

Models and Techniques for Proving Data Structure Lower Bounds

DEFF Research Database (Denmark)

Larsen, Kasper Green

In this dissertation, we present a number of new techniques and tools for proving lower bounds on the operational time of data structures. These techniques provide new lines of attack for proving lower bounds in both the cell probe model, the group model, the pointer machine model and the I...... bound of tutq = (lgd􀀀1 n). For ball range searching, we get a lower bound of tutq = (n1􀀀1=d). The highest previous lower bound proved in the group model does not exceed ((lg n= lg lg n)2) on the maximum of tu and tq. Finally, we present a new technique for proving lower bounds....../O-model. In all cases, we push the frontiers further by proving lower bounds higher than what could possibly be proved using previously known techniques. For the cell probe model, our results have the following consequences: The rst (lg n) query time lower bound for linear space static data structures...

Modelling of Innovation Diffusion

Directory of Open Access Journals (Sweden)

Arkadiusz Kijek

2010-01-01

Full Text Available Since the publication of the Bass model in 1969, research on the modelling of the diffusion of innovation resulted in a vast body of scientific literature consisting of articles, books, and studies of real-world applications of this model. The main objective of the diffusion model is to describe a pattern of spread of innovation among potential adopters in terms of a mathematical function of time. This paper assesses the state-of-the-art in mathematical models of innovation diffusion and procedures for estimating their parameters. Moreover, theoretical issues related to the models presented are supplemented with empirical research. The purpose of the research is to explore the extent to which the diffusion of broadband Internet users in 29 OECD countries can be adequately described by three diffusion models, i.e. the Bass model, logistic model and dynamic model. The results of this research are ambiguous and do not indicate which model best describes the diffusion pattern of broadband Internet users but in terms of the results presented, in most cases the dynamic model is inappropriate for describing the diffusion pattern. Issues related to the further development of innovation diffusion models are discussed and some recommendations are given. (original abstract

Bounds for the propagation speed of combustion flames

International Nuclear Information System (INIS)

Fort, Joaquim; Campos, Daniel; Gonzalez, Josep R; Velayos, Joaquim

2004-01-01

We focus on a combustion model for premixed flames based on two coupled equations determining the spatial dynamics of temperature and fuel density. We rewrite these equations as a classical reaction-diffusion model, so that we can apply some known methods for the prediction of lower and upper bounds to the front speed. The predictions are compared to simulations, which show that our new bounds substantially improve those following from the linearization method, used in the previous work of Fort et al (2000 J. Phys. A: Math. Gen. 33 6953). Radiative losses lead to pulses rather than fronts. We find a bound for their speed which (in contrast to the linearization one) correctly predicts the order of magnitude of the flame speed

Bounds for the propagation speed of combustion flames

Energy Technology Data Exchange (ETDEWEB)

Fort, Joaquim [Departament de FIsica, Universitat de Girona, Campus de Montilivi, 17071 Girona, Catalonia (Spain); Campos, Daniel [Grup de FIsica EstadIstica, Departament de FIsica, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); Gonzalez, Josep R [Grup de Mecanica de Fluids, Departament d' Enginyeria Mecanica, Universitat de Girona, Campus de Montilivi, 17071 Girona, Catalonia (Spain); Velayos, Joaquim [Grup de Mecanica de Fluids, Departament d' Enginyeria Mecanica, Universitat de Girona, Campus de Montilivi, 17071 Girona, Catalonia (Spain)

2004-07-23

We focus on a combustion model for premixed flames based on two coupled equations determining the spatial dynamics of temperature and fuel density. We rewrite these equations as a classical reaction-diffusion model, so that we can apply some known methods for the prediction of lower and upper bounds to the front speed. The predictions are compared to simulations, which show that our new bounds substantially improve those following from the linearization method, used in the previous work of Fort et al (2000 J. Phys. A: Math. Gen. 33 6953). Radiative losses lead to pulses rather than fronts. We find a bound for their speed which (in contrast to the linearization one) correctly predicts the order of magnitude of the flame speed.

Rigorous upper bounds for transport due to passive advection by inhomogeneous turbulence

International Nuclear Information System (INIS)

Krommes, J.A.; Smith, R.A.

1987-05-01

A variational procedure, due originally to Howard and explored by Busse and others for self-consistent turbulence problems, is employed to determine rigorous upper bounds for the advection of a passive scalar through an inhomogeneous turbulent slab with arbitrary generalized Reynolds number R and Kubo number K. In the basic version of the method, the steady-state energy balance is used as a constraint; the resulting bound, though rigorous, is independent of K. A pedagogical reference model (one dimension, K = ∞) is described in detail; the bound compares favorably with the exact solution. The direct-interaction approximation is also worked out for this model; it is somewhat more accurate than the bound, but requires considerably more labor to solve. For the basic bound, a general formalism is presented for several dimensions, finite correlation length, and reasonably general boundary conditions. Part of the general method, in which a Green's function technique is employed, applies to self-consistent as well as to passive problems, and thereby generalizes previous results in the fluid literature. The formalism is extended for the first time to include time-dependent constraints, and a bound is deduced which explicitly depends on K and has the correct physical scalings in all regimes of R and K. Two applications from the theory of turbulent plasmas ae described: flux in velocity space, and test particle transport in stochastic magnetic fields. For the velocity space problem the simplest bound reproduces Dupree's original scaling for the strong turbulence diffusion coefficient. For the case of stochastic magnetic fields, the scaling of the bounds is described for the magnetic diffusion coefficient as well as for the particle diffusion coefficient in the so-called collisionless, fluid, and double-streaming regimes

A gauged baby Skyrme model and a novel BPS bound

International Nuclear Information System (INIS)

Adam, C; Naya, C; Sanchez-Guillen, J; Wereszczynski, A

2013-01-01

The baby Skyrme model is a well-known nonlinear field theory supporting topological solitons in two space dimensions. Its action functional consist of a potential term, a kinetic term quadratic in derivatives (the 'nonlinear sigma model term') and the Skyrme term quartic in first derivatives. The limiting case of vanishing sigma model term (the so-called BPS baby Skyrme model) is known to support exact soliton solutions saturating a BPS bound which exists for this model. Further, the BPS model has infinitely many symmetries and conservation laws. Recently it was found that the gauged version of the BPS baby Skyrme model with gauge group U(1) and the usual Maxwell term, too, has a BPS bound and BPS solutions saturating this bound. This BPS bound is determined by a superpotential which has to obey a superpotential equation, in close analogy to the situation in supergravity. Further, the BPS bound and the corresponding BPS solitons only may exist for potentials such that the superpotential equation has a global solution. We also briefly describe some properties of soliton solutions.

STEPS: efficient simulation of stochastic reaction–diffusion models in realistic morphologies

Directory of Open Access Journals (Sweden)

Hepburn Iain

2012-05-01

Full Text Available Abstract Background Models of cellular molecular systems are built from components such as biochemical reactions (including interactions between ligands and membrane-bound proteins, conformational changes and active and passive transport. A discrete, stochastic description of the kinetics is often essential to capture the behavior of the system accurately. Where spatial effects play a prominent role the complex morphology of cells may have to be represented, along with aspects such as chemical localization and diffusion. This high level of detail makes efficiency a particularly important consideration for software that is designed to simulate such systems. Results We describe STEPS, a stochastic reaction–diffusion simulator developed with an emphasis on simulating biochemical signaling pathways accurately and efficiently. STEPS supports all the above-mentioned features, and well-validated support for SBML allows many existing biochemical models to be imported reliably. Complex boundaries can be represented accurately in externally generated 3D tetrahedral meshes imported by STEPS. The powerful Python interface facilitates model construction and simulation control. STEPS implements the composition and rejection method, a variation of the Gillespie SSA, supporting diffusion between tetrahedral elements within an efficient search and update engine. Additional support for well-mixed conditions and for deterministic model solution is implemented. Solver accuracy is confirmed with an original and extensive validation set consisting of isolated reaction, diffusion and reaction–diffusion systems. Accuracy imposes upper and lower limits on tetrahedron sizes, which are described in detail. By comparing to Smoldyn, we show how the voxel-based approach in STEPS is often faster than particle-based methods, with increasing advantage in larger systems, and by comparing to MesoRD we show the efficiency of the STEPS implementation. Conclusion STEPS simulates

Relevance of the ICRP biokinetic model for dietary organically bound tritium

International Nuclear Information System (INIS)

Trivedi, A.

1999-10-01

Ingested dietary tritium can participate in metabolic processes, and become synthesized into organically bound tritium in the tissues and organs. The distribution and retention of the organically bound tritium throughout the body are much different than tritium in the body water. The International Commission on Radiological Protection (ICRP) Publication 56 (1989) has a biokinetic model to calculate dose from the ingestion of organically bound dietary tritium. The model predicts that the dose from the ingestion of organically bound dietary tritium is about 2.3 times higher than from the ingestion of the same activity of tritiated water. Under steady-state conditions, the calculated dose rate (using the first principle approach) from the ingestion of dietary organically bound tritium can be twice that from the ingestion of tritiated water. For an adult, the upper-bound dose estimate for the ingestion of dietary organically bound tritium is estimated to be close to 2.3 times higher than that of tritiated water. Therefore, given the uncertainty in the dose calculation with respect to the actual relevant dose, the ICRP biokinetic model for organically bound tritium is sufficient for dosimetry for adults. (author)

Instability induced by cross-diffusion in reaction-diffusion systems

DEFF Research Database (Denmark)

Tian, Canrong; Lin, Zhigui; Pedersen, Michael

2010-01-01

In this paper the instability of the uniform equilibrium of a general strongly coupled reaction–diffusion is discussed. In unbounded domain and bounded domain the sufficient conditions for the instability are obtained respectively. The conclusion is applied to the ecosystem, it is shown that cros...... can induce the instability of an equilibrium which is stable for the kinetic system and for the self-diffusion–reaction system.......In this paper the instability of the uniform equilibrium of a general strongly coupled reaction–diffusion is discussed. In unbounded domain and bounded domain the sufficient conditions for the instability are obtained respectively. The conclusion is applied to the ecosystem, it is shown that cross-diffusion...

Rigorous bounds on the free energy of electron-phonon models

NARCIS (Netherlands)

Raedt, Hans De; Michielsen, Kristel

1997-01-01

We present a collection of rigorous upper and lower bounds to the free energy of electron-phonon models with linear electron-phonon interaction. These bounds are used to compare different variational approaches. It is shown rigorously that the ground states corresponding to the sharpest bounds do

Models of diffuse solar radiation

Energy Technology Data Exchange (ETDEWEB)

Boland, John; Ridley, Barbara [Centre for Industrial and Applied Mathematics, University of South Australia, Mawson Lakes Boulevard, Mawson Lakes, SA 5095 (Australia); Brown, Bruce [Department of Statistics and Applied Probability, National University of Singapore, Singapore 117546 (Singapore)

2008-04-15

For some locations both global and diffuse solar radiation are measured. However, for many locations, only global is measured, or inferred from satellite data. For modelling solar energy applications, the amount of radiation on a tilted surface is needed. Since only the direct component on a tilted surface can be calculated from trigonometry, we need to have diffuse on the horizontal available. There are regression relationships for estimating the diffuse on a tilted surface from diffuse on the horizontal. Models for estimating the diffuse radiation on the horizontal from horizontal global that have been developed in Europe or North America have proved to be inadequate for Australia [Spencer JW. A comparison of methods for estimating hourly diffuse solar radiation from global solar radiation. Sol Energy 1982; 29(1): 19-32]. Boland et al. [Modelling the diffuse fraction of global solar radiation on a horizontal surface. Environmetrics 2001; 12: 103-16] developed a validated model for Australian conditions. We detail our recent advances in developing the theoretical framework for the approach reported therein, particularly the use of the logistic function instead of piecewise linear or simple nonlinear functions. Additionally, we have also constructed a method, using quadratic programming, for identifying values that are likely to be erroneous. This allows us to eliminate outliers in diffuse radiation values, the data most prone to errors in measurement. (author)

Green's function method and its application to verification of diffusion models of GASFLOW code

International Nuclear Information System (INIS)

Xu, Z.; Travis, J.R.; Breitung, W.

2007-07-01

To validate the diffusion model and the aerosol particle model of the GASFLOW computer code, theoretical solutions of advection diffusion problems are developed by using the Green's function method. The work consists of a theory part and an application part. In the first part, the Green's functions of one-dimensional advection diffusion problems are solved in infinite, semi-infinite and finite domains with the Dirichlet, the Neumann and/or the Robin boundary conditions. Novel and effective image systems especially for the advection diffusion problems are made to find the Green's functions in a semi-infinite domain. Eigenfunction method is utilized to find the Green's functions in a bounded domain. In the case, key steps of a coordinate transform based on a concept of reversed time scale, a Laplace transform and an exponential transform are proposed to solve the Green's functions. Then the product rule of the multi-dimensional Green's functions is discussed in a Cartesian coordinate system. Based on the building blocks of one-dimensional Green's functions, the multi-dimensional Green's function solution can be constructed by applying the product rule. Green's function tables are summarized to facilitate the application of the Green's function. In the second part, the obtained Green's function solutions benchmark a series of validations to the diffusion model of gas species in continuous phase and the diffusion model of discrete aerosol particles in the GASFLOW code. Perfect agreements are obtained between the GASFLOW simulations and the Green's function solutions in case of the gas diffusion. Very good consistencies are found between the theoretical solutions of the advection diffusion equations and the numerical particle distributions in advective flows, when the drag force between the micron-sized particles and the conveying gas flow meets the Stokes' law about resistance. This situation is corresponding to a very small Reynolds number based on the particle

Bound water in Kevlar 49 fibers

International Nuclear Information System (INIS)

Garza, R.G.; Pruneda, C.O.; Morgan, R.J.

1981-01-01

From elemental analyses, thermogravimetric-mass spectroscopy studies and re-evaluation of previous water diffusion studies in Kevlar 49 fibers it is concluded that these fibers can contain two types of sorbed moisture. The fibers can absorb up to approx. 6 wt % loosely bound water with an activation energy for outgassing by desorption of 6 kcal/mole. This loosely bound water is a direct result of the presence of Na 2 SO 4 impurities and the perturbations they induce on the packing of the rod-like poly (p-phenylene terephthalamide) macromolecules. Kevlar 49 fibers also inherently contain up to 30 wt % additional water which is tightly bound within the crystal lattice. This water exhibits an activation energy for outgassing by diffusion of approx. 40 kcal/mole and is only evolved from the fiber in significant quantities at t > 350 0 C over a period of hours

A simplified model exploration research of new anisotropic diffuse radiation model

International Nuclear Information System (INIS)

Yao, Wanxiang; Li, Zhengrong; Wang, Xiao; Zhao, Qun; Zhang, Zhigang; Lin, Lin

2016-01-01

Graphical abstract: The specific process of measured diffuse radiation data. - Highlights: • Simplified diffuse radiation model is extremely important for solar radiation simulation and energy simulation. • A new simplified anisotropic diffuse radiation model (NSADR model) is proposed. • The accuracy of existing models and NSADR model is compared based on the measured values. • The accuracy of the NSADR model is higher than that of the existing models, and suitable for calculating diffuse radiation. - Abstract: More accurate new anisotropic diffuse radiation model (NADR model) has been proposed, but the parameters and calculation process of NADR model used in the process are complex. So it is difficult to widely used in the simulation software and engineering calculation. Based on analysis of the diffuse radiation model and measured diffuse radiation data, this paper put forward three hypotheses: (1) diffuse radiation from sky horizontal region is concentrated in a very thin layer which is close to the line source; (2) diffuse radiation from circumsolar region is concentrated in the point of the sun; (3) diffuse radiation from orthogonal region is concentrated in the point located at 90 degree angles with the Sun. Based on these hypotheses, NADR model is simplified to a new simplified anisotropic diffuse radiation model (NSADR model). Then the accuracy of NADR model and its simplified model (NSADR model) are compared with existing models based on the measured values, and the result shows that Perez model and its simplified model are relatively accurate among existing models. However, the accuracy of these two models is lower than the NADR model and NSADR model due to neglect the influence of the orthogonal diffuse radiation. The accuracy of the NSADR model is higher than that of the existing models, meanwhile, another advantage is that the NSADR model simplifies the process of solution parameters and calculation. Therefore it is more suitable for

Dependence in probabilistic modeling Dempster-Shafer theory and probability bounds analysis

Energy Technology Data Exchange (ETDEWEB)

Ferson, Scott [Applied Biomathematics, Setauket, NY (United States); Nelsen, Roger B. [Lewis & Clark College, Portland OR (United States); Hajagos, Janos [Applied Biomathematics, Setauket, NY (United States); Berleant, Daniel J. [Iowa State Univ., Ames, IA (United States); Zhang, Jianzhong [Iowa State Univ., Ames, IA (United States); Tucker, W. Troy [Applied Biomathematics, Setauket, NY (United States); Ginzburg, Lev R. [Applied Biomathematics, Setauket, NY (United States); Oberkampf, William L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-05-01

This report summarizes methods to incorporate information (or lack of information) about inter-variable dependence into risk assessments that use Dempster-Shafer theory or probability bounds analysis to address epistemic and aleatory uncertainty. The report reviews techniques for simulating correlated variates for a given correlation measure and dependence model, computation of bounds on distribution functions under a specified dependence model, formulation of parametric and empirical dependence models, and bounding approaches that can be used when information about the intervariable dependence is incomplete. The report also reviews several of the most pervasive and dangerous myths among risk analysts about dependence in probabilistic models.

Double diffusivity model under stochastic forcing

Science.gov (United States)

Chattopadhyay, Amit K.; Aifantis, Elias C.

2017-05-01

The "double diffusivity" model was proposed in the late 1970s, and reworked in the early 1980s, as a continuum counterpart to existing discrete models of diffusion corresponding to high diffusivity paths, such as grain boundaries and dislocation lines. It was later rejuvenated in the 1990s to interpret experimental results on diffusion in polycrystalline and nanocrystalline specimens where grain boundaries and triple grain boundary junctions act as high diffusivity paths. Technically, the model pans out as a system of coupled Fick-type diffusion equations to represent "regular" and "high" diffusivity paths with "source terms" accounting for the mass exchange between the two paths. The model remit was extended by analogy to describe flow in porous media with double porosity, as well as to model heat conduction in media with two nonequilibrium local temperature baths, e.g., ion and electron baths. Uncoupling of the two partial differential equations leads to a higher-ordered diffusion equation, solutions of which could be obtained in terms of classical diffusion equation solutions. Similar equations could also be derived within an "internal length" gradient (ILG) mechanics formulation applied to diffusion problems, i.e., by introducing nonlocal effects, together with inertia and viscosity, in a mechanics based formulation of diffusion theory. While being remarkably successful in studies related to various aspects of transport in inhomogeneous media with deterministic microstructures and nanostructures, its implications in the presence of stochasticity have not yet been considered. This issue becomes particularly important in the case of diffusion in nanopolycrystals whose deterministic ILG-based theoretical calculations predict a relaxation time that is only about one-tenth of the actual experimentally verified time scale. This article provides the "missing link" in this estimation by adding a vital element in the ILG structure, that of stochasticity, that takes into

The dynamics of Bertrand model with bounded rationality

International Nuclear Information System (INIS)

Zhang Jixiang; Da Qingli; Wang Yanhua

2009-01-01

The paper considers a Bertrand model with bounded rational. A duopoly game is modelled by two nonlinear difference equations. By using the theory of bifurcations of dynamical systems, the existence and stability for the equilibria of this system are obtained. Numerical simulations used to show bifurcations diagrams, phase portraits for various parameters and sensitive dependence on initial conditions. We observe that an increase of the speed of adjustment of bounded rational player may change the stability of Nash equilibrium point and cause bifurcation and chaos to occur. The analysis and results in this paper are interesting in mathematics and economics.

Lower Bounds in the Asymmetric External Memory Model

DEFF Research Database (Denmark)

Jacob, Riko; Sitchinava, Nodari

2017-01-01

Motivated by the asymmetric read and write costs of emerging non-volatile memory technologies, we study lower bounds for the problems of sorting, permuting and multiplying a sparse matrix by a dense vector in the asymmetric external memory model (AEM). Given an AEM with internal (symmetric) memory...... of size M, transfers between symmetric and asymmetric memory in blocks of size B and the ratio ω between write and read costs, we show Ω(min (N, ωN/B logω M/B N/B) lower bound for the cost of permuting N input elements. This lower bound also applies to the problem of sorting N elements. This proves...

Combinatorial bounds on the α-divergence of univariate mixture models

KAUST Repository

Nielsen, Frank

2017-06-20

We derive lower- and upper-bounds of α-divergence between univariate mixture models with components in the exponential family. Three pairs of bounds are presented in order with increasing quality and increasing computational cost. They are verified empirically through simulated Gaussian mixture models. The presented methodology generalizes to other divergence families relying on Hellinger-type integrals.

Models of bounded rationality under certainty

NARCIS (Netherlands)

Rasouli, S.; Timmermans, H.J.P.; Rasouli, S.; Timmermans, H.J.P.

2015-01-01

Purpose This chapter reviews models of decision-making and choice under conditions of certainty. It allows readers to position the contribution of the other chapters in this book in the historical development of the topic area. Theory Bounded rationality is defined in terms of a strategy to simplify

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

Science.gov (United States)

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

2010-12-01

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

Fractal diffusion equations: Microscopic models with anomalous diffusion and its generalizations

International Nuclear Information System (INIS)

Arkhincheev, V.E.

2001-04-01

To describe the ''anomalous'' diffusion the generalized diffusion equations of fractal order are deduced from microscopic models with anomalous diffusion as Comb model and Levy flights. It is shown that two types of equations are possible: with fractional temporal and fractional spatial derivatives. The solutions of these equations are obtained and the physical sense of these fractional equations is discussed. The relation between diffusion and conductivity is studied and the well-known Einstein relation is generalized for the anomalous diffusion case. It is shown that for Levy flight diffusion the Ohm's law is not applied and the current depends on electric field in a nonlinear way due to the anomalous character of Levy flights. The results of numerical simulations, which confirmed this conclusion, are also presented. (author)

Systematic assignment of Feshbach resonances via an asymptotic bound state model

NARCIS (Netherlands)

Goosen, M.; Kokkelmans, SJ.J.M.F.

2008-01-01

We present an Asymptotic Bound state Model (ABM), which is useful to predict Feshbach resonances. The model utilizes asymptotic properties of the interaction potentials to represent coupled molecular wavefunctions. The bound states of this system give rise to Feshbach resonances, localized at the

Improved rigorous upper bounds for transport due to passive advection described by simple models of bounded systems

International Nuclear Information System (INIS)

Kim, Chang-Bae; Krommes, J.A.

1988-08-01

The work of Krommes and Smith on rigorous upper bounds for the turbulent transport of a passively advected scalar [/ital Ann. Phys./ 177:246 (1987)] is extended in two directions: (1) For their ''reference model,'' improved upper bounds are obtained by utilizing more sophisticated two-time constraints which include the effects of cross-correlations up to fourth order. Numerical solutions of the model stochastic differential equation are also obtained; they show that the new bounds compare quite favorably with the exact results, even at large Reynolds and Kubo numbers. (2) The theory is extended to take account of a finite spatial autocorrelation length L/sub c/. As a reasonably generic example, the problem of particle transport due to statistically specified stochastic magnetic fields in a collisionless turbulent plasma is revisited. A bound is obtained which reduces for small L/sub c/ to the quasilinear limit and for large L/sub c/ to the strong turbulence limit, and which provides a reasonable and rigorous interpolation for intermediate values of L/sub c/. 18 refs., 6 figs

Take it NP-easy: Bounded model construction for duration calculus

DEFF Research Database (Denmark)

Fränzle, Martin

2002-01-01

Following the recent successes of bounded model-checking, we reconsider the problem of constructing models of discrete-time Duration Calculus formulae. While this problem is known to be non-elementary when arbitrary length models are considered [Hansen94], it turns out to be only NP-complete when...... constrained to bounded length. As a corollary we obtain that model construction is in NP for the formulae actually encountered in case studies using Duration Calculus, as these have a certain small-model property. First experiments with a prototype implementation of the procedures demonstrate a competitive...

Model of diffusers / permeators for hydrogen processing

International Nuclear Information System (INIS)

Jacobs, W. D.; Hang, T.

2008-01-01

Palladium-silver (Pd-Ag) diffusers are mainstays of hydrogen processing. Diffusers separate hydrogen from inert species such as nitrogen, argon or helium. The tubing becomes permeable to hydrogen when heated to more than 250 C and a differential pressure is created across the membrane. The hydrogen diffuses better at higher temperatures. Experimental or experiential results have been the basis for determining or predicting a diffuser's performance. However, the process can be mathematically modeled, and comparison to experimental or other operating data can be utilized to improve the fit of the model. A reliable model-based diffuser system design is the goal which will have impacts on tritium and hydrogen processing. A computer model has been developed to solve the differential equations for diffusion given the operating boundary conditions. The model was compared to operating data for a low pressure diffuser system. The modeling approach and the results are presented in this paper. (authors)

Modeling the diffusion of scientific publications

NARCIS (Netherlands)

D. Fok (Dennis); Ph.H.B.F. Franses (Philip Hans)

2005-01-01

textabstractThis paper illustrates that salient features of a panel of time series of annual citations can be captured by a Bass type diffusion model. We put forward an extended version of this diffusion model, where we consider the relation between key characteristics of the diffusion process and

Combinatorial bounds on the α-divergence of univariate mixture models

KAUST Repository

Nielsen, Frank; Sun, Ke

2017-01-01

We derive lower- and upper-bounds of α-divergence between univariate mixture models with components in the exponential family. Three pairs of bounds are presented in order with increasing quality and increasing computational cost. They are verified

Hyperon polarizabilities in the bound-state soliton model

International Nuclear Information System (INIS)

Gobbi, C.; Scoccola, N.N.

1996-01-01

A detailed calculation of electric and magnetic static polarizabilities of octet hyperons is presented in the framework of the bound-state soliton model. Both seagull and dispersive contributions are considered, and the results are compared with different model predictions. (orig.)

Convective transport of highly plasma protein bound drugs facilitates direct penetration into deep tissues after topical application

Science.gov (United States)

Dancik, Yuri; Anissimov, Yuri G; Jepps, Owen G; Roberts, Michael S

2012-01-01

AIMS To relate the varying dermal, subcutaneous and muscle microdialysate concentrations found in man after topical application to the nature of the drug applied and to the underlying physiology. METHODS We developed a physiologically based pharmacokinetic model in which transport to deeper tissues was determined by tissue diffusion, blood, lymphatic and intersitial flow transport and drug properties. The model was applied to interpret published human microdialysis data, estimated in vitro dermal diffusion and protein binding affinity of drugs that have been previously applied topically in vivo and measured in deep cutaneous tissues over time. RESULTS Deeper tissue microdialysis concentrations for various drugs in vivo vary widely. Here, we show that carriage by the blood to the deeper tissues below topical application sites facilitates the transport of highly plasma protein bound drugs that penetrate the skin, leading to rapid and significant concentrations in those tissues. Hence, the fractional concentration for the highly plasma protein bound diclofenac in deeper tissues is 0.79 times that in a probe 4.5 mm below a superficial probe whereas the corresponding fractional concentration for the poorly protein bound nicotine is 0.02. Their corresponding estimated in vivo lag times for appearance of the drugs in the deeper probes were 1.1 min for diclofenac and 30 min for nicotine. CONCLUSIONS Poorly plasma protein bound drugs are mainly transported to deeper tissues after topical application by tissue diffusion whereas the transport of highly plasma protein bound drugs is additionally facilitated by convective blood, lymphatic and interstitial transport to deep tissues. PMID:21999217

Exploring L1 model space in search of conductivity bounds for the MT problem

Science.gov (United States)

Wheelock, B. D.; Parker, R. L.

2013-12-01

Geophysical inverse problems of the type encountered in electromagnetic techniques are highly non-unique. As a result, any single inverted model, though feasible, is at best inconclusive and at worst misleading. In this paper, we use modified inversion methods to establish bounds on electrical conductivity within a model of the earth. Our method consists of two steps, each making use of the 1-norm in model regularization. Both 1-norm minimization problems are framed without approximation as non-negative least-squares (NNLS) problems. First, we must identify a parsimonious set of regions within the model for which upper and lower bounds on average conductivity will be sought. This is accomplished by minimizing the 1-norm of spatial variation, which produces a model with a limited number of homogeneous regions; in fact, the number of homogeneous regions will never be greater than the number of data, regardless of the number of free parameters supplied. The second step establishes bounds for each of these regions with pairs of inversions. The new suite of inversions also uses a 1-norm penalty, but applied to the conductivity values themselves, rather than the spatial variation thereof. In the bounding step we use the 1-norm of our model parameters because it is proportional to average conductivity. For a lower bound on average conductivity, the 1-norm within a bounding region is minimized. For an upper bound on average conductivity, the 1-norm everywhere outside a bounding region is minimized. The latter minimization has the effect of concentrating conductance into the bounding region. Taken together, these bounds are a measure of the uncertainty in the associated region of our model. Starting with a blocky inverse solution is key in the selection of the bounding regions. Of course, there is a tradeoff between resolution and uncertainty: an increase in resolution (smaller bounding regions), results in greater uncertainty (wider bounds). Minimization of the 1-norm of

On Uniform Decay of the Entropy for Reaction–Diffusion Systems

KAUST Repository

Mielke, Alexander; Haskovec, Jan; Markowich, Peter A.

2014-01-01

This work provides entropy decay estimates for classes of nonlinear reaction–diffusion systems modeling reversible chemical reactions under the detailed-balance condition. We obtain explicit bounds for the exponential decay of the relative

A discontinuous Galerkin method with a bound preserving limiter for the advection of non-diffusive fields in solid Earth geodynamics

Science.gov (United States)

He, Ying; Puckett, Elbridge Gerry; Billen, Magali I.

2017-02-01

Mineral composition has a strong effect on the properties of rocks and is an essentially non-diffusive property in the context of large-scale mantle convection. Due to the non-diffusive nature and the origin of compositionally distinct regions in the Earth the boundaries between distinct regions can be nearly discontinuous. While there are different methods for tracking rock composition in numerical simulations of mantle convection, one must consider trade-offs between computational cost, accuracy or ease of implementation when choosing an appropriate method. Existing methods can be computationally expensive, cause over-/undershoots, smear sharp boundaries, or are not easily adapted to tracking multiple compositional fields. Here we present a Discontinuous Galerkin method with a bound preserving limiter (abbreviated as DG-BP) using a second order Runge-Kutta, strong stability-preserving time discretization method for the advection of non-diffusive fields. First, we show that the method is bound-preserving for a point-wise divergence free flow (e.g., a prescribed circular flow in a box). However, using standard adaptive mesh refinement (AMR) there is an over-shoot error (2%) because the cell average is not preserved during mesh coarsening. The effectiveness of the algorithm for convection-dominated flows is demonstrated using the falling box problem. We find that the DG-BP method maintains sharper compositional boundaries (3-5 elements) as compared to an artificial entropy-viscosity method (6-15 elements), although the over-/undershoot errors are similar. When used with AMR the DG-BP method results in fewer degrees of freedom due to smaller regions of mesh refinement in the neighborhood of the discontinuity. However, using Taylor-Hood elements and a uniform mesh there is an over-/undershoot error on the order of 0.0001%, but this error increases to 0.01-0.10% when using AMR. Therefore, for research problems in which a continuous field method is desired the DG

Modelling uncertainties in the diffusion-advection equation for radon transport in soil using interval arithmetic.

Science.gov (United States)

Chakraverty, S; Sahoo, B K; Rao, T D; Karunakar, P; Sapra, B K

2018-02-01

Modelling radon transport in the earth crust is a useful tool to investigate the changes in the geo-physical processes prior to earthquake event. Radon transport is modeled generally through the deterministic advection-diffusion equation. However, in order to determine the magnitudes of parameters governing these processes from experimental measurements, it is necessary to investigate the role of uncertainties in these parameters. Present paper investigates this aspect by combining the concept of interval uncertainties in transport parameters such as soil diffusivity, advection velocity etc, occurring in the radon transport equation as applied to soil matrix. The predictions made with interval arithmetic have been compared and discussed with the results of classical deterministic model. The practical applicability of the model is demonstrated through a case study involving radon flux measurements at the soil surface with an accumulator deployed in steady-state mode. It is possible to detect the presence of very low levels of advection processes by applying uncertainty bounds on the variations in the observed concentration data in the accumulator. The results are further discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Universal bounds on current fluctuations.

Science.gov (United States)

Pietzonka, Patrick; Barato, Andre C; Seifert, Udo

2016-05-01

For current fluctuations in nonequilibrium steady states of Markovian processes, we derive four different universal bounds valid beyond the Gaussian regime. Different variants of these bounds apply to either the entropy change or any individual current, e.g., the rate of substrate consumption in a chemical reaction or the electron current in an electronic device. The bounds vary with respect to their degree of universality and tightness. A universal parabolic bound on the generating function of an arbitrary current depends solely on the average entropy production. A second, stronger bound requires knowledge both of the thermodynamic forces that drive the system and of the topology of the network of states. These two bounds are conjectures based on extensive numerics. An exponential bound that depends only on the average entropy production and the average number of transitions per time is rigorously proved. This bound has no obvious relation to the parabolic bound but it is typically tighter further away from equilibrium. An asymptotic bound that depends on the specific transition rates and becomes tight for large fluctuations is also derived. This bound allows for the prediction of the asymptotic growth of the generating function. Even though our results are restricted to networks with a finite number of states, we show that the parabolic bound is also valid for three paradigmatic examples of driven diffusive systems for which the generating function can be calculated using the additivity principle. Our bounds provide a general class of constraints for nonequilibrium systems.

Model-Independent Lower Bounds for $b \\to d$ Penguin Processes

CERN Document Server

Fleischer, Robert; Fleischer, Robert; Recksiegel, Stefan

2005-01-01

For the exploration of flavour physics, b -> d penguin processes are an important aspect, with the prominent example of \\bar B^0_d -> K^0 \\bar K^0. We recently derived lower bounds for the CP-averaged branching ratio of this channel in the Standard Model; they were found to be very close to the corresponding experimental upper limits, thereby suggesting that \\bar B^0_d -> K^0 \\bar K^0 should soon be observed. In fact, the BaBar collaboration subsequently announced the first signals of this transition. Here we point out that it is also possible to derive lower bounds for \\bar B -> \\rho \\gamma decays, which are again surprisingly close to the current experimental upper limits. We show that these bounds are realizations of a general bound that holds within the Standard Model for b -> d penguin processes, allowing further applications to decays of the kind B^\\pm -> K^{(\\ast)\\pm} K^{(\\ast)} and B^\\pm -> \\pi^\\pm \\ell^+ \\ell^-, \\rho^\\pm \\ell^+ \\ell^-.

Parameter estimation in fractional diffusion models

CERN Document Server

Kubilius, Kęstutis; Ralchenko, Kostiantyn

2017-01-01

This book is devoted to parameter estimation in diffusion models involving fractional Brownian motion and related processes. For many years now, standard Brownian motion has been (and still remains) a popular model of randomness used to investigate processes in the natural sciences, financial markets, and the economy. The substantial limitation in the use of stochastic diffusion models with Brownian motion is due to the fact that the motion has independent increments, and, therefore, the random noise it generates is “white,” i.e., uncorrelated. However, many processes in the natural sciences, computer networks and financial markets have long-term or short-term dependences, i.e., the correlations of random noise in these processes are non-zero, and slowly or rapidly decrease with time. In particular, models of financial markets demonstrate various kinds of memory and usually this memory is modeled by fractional Brownian diffusion. Therefore, the book constructs diffusion models with memory and provides s...

Accessing the dynamics of end-grafted flexible polymer chains by atomic force-electrochemical microscopy. Theoretical modeling of the approach curves by the elastic bounded diffusion model and Monte Carlo simulations. Evidence for compression-induced lateral chain escape.

Science.gov (United States)

Abbou, Jeremy; Anne, Agnès; Demaille, Christophe

2006-11-16

The dynamics of a molecular layer of linear poly(ethylene glycol) (PEG) chains of molecular weight 3400, bearing at one end a ferrocene (Fc) label and thiol end-grafted at a low surface coverage onto a gold substrate, is probed using combined atomic force-electrochemical microscopy (AFM-SECM), at the scale of approximately 100 molecules. Force and current approach curves are simultaneously recorded as a force-sensing microelectrode (tip) is inserted within the approximately 10 nm thick, redox labeled, PEG chain layer. Whereas the force approach curve gives access to the structure of the compressed PEG layer, the tip-current, resulting from tip-to-substrate redox cycling of the Fc head of the chain, is controlled by chain dynamics. The elastic bounded diffusion model, which considers the motion of the Fc head as diffusion in a conformational field, complemented by Monte Carlo (MC) simulations, from which the chain conformation can be derived for any degree of confinement, allows the theoretical tip-current approach curve to be calculated. The experimental current approach curve can then be very satisfyingly reproduced by theory, down to a tip-substrate separation of approximately 2 nm, using only one adjustable parameter characterizing the chain dynamics: the effective diffusion coefficient of the chain head. At closer tip-substrate separations, an unpredicted peak is observed in the experimental current approach curve, which is shown to find its origin in a compression-induced escape of the chain from within the narrowing tip-substrate gap. MC simulations provide quantitative support for lateral chain elongation as the escape mechanism.

Modeling dendrite density from magnetic resonance diffusion measurements

DEFF Research Database (Denmark)

Jespersen, Sune Nørhøj; Kroenke, CD; Østergaard, Leif

2007-01-01

in this model: (i) the dendrites and axons, which are modeled as long cylinders with two diffusion coefficients, parallel (DL) and perpendicular (DT) to the cylindrical axis, and (ii) an isotropic monoexponential diffusion component describing water diffusion within and across all other structures, i.......e., in extracellular space and glia cells. The model parameters are estimated from 153 diffusion-weighted images acquired from a formalin-fixed baboon brain. A close correspondence between the data and the signal model is found, with the model parameters consistent with literature values. The model provides......Diffusion-weighted imaging (DWI) provides a noninvasive tool to probe tissue microstructure. We propose a simplified model of neural cytoarchitecture intended to capture the essential features important for water diffusion as measured by NMR. Two components contribute to the NMR signal...

Cryptography In The Bounded Quantum-Storage Model

DEFF Research Database (Denmark)

Damgård, Ivan Bjerre; Salvail, Louis; Schaffner, Christian

2005-01-01

We initiate the study of two-party cryptographic primitives with unconditional security, assuming that the adversary's quantum memory is of bounded size. We show that oblivious transfer and bit commitment can be implemented in this model using protocols where honest parties need no quantum memory...

Cryptography in the Bounded Quantum-Storage Model

DEFF Research Database (Denmark)

Damgård, Ivan Bjerre; Serge, Fehr; Schaffner, Christian

2008-01-01

We initiate the study of two-party cryptographic primitives with unconditional security, assuming that the adversary's quantum memory is of bounded size. We show that oblivious transfer and bit commitment can be implemented in this model using protocols where honest parties need no quantum memory...

Tools for model-independent bounds in direct dark matter searches

DEFF Research Database (Denmark)

Cirelli, M.; Del Nobile, E.; Panci, P.

2013-01-01

We discuss a framework (based on non-relativistic operators) and a self-contained set of numerical tools to derive the bounds from some current direct detection experiments on virtually any arbitrary model of Dark Matter elastically scattering on nuclei.......We discuss a framework (based on non-relativistic operators) and a self-contained set of numerical tools to derive the bounds from some current direct detection experiments on virtually any arbitrary model of Dark Matter elastically scattering on nuclei....

Diffusion Influenced Adsorption Kinetics.

Science.gov (United States)

Miura, Toshiaki; Seki, Kazuhiko

2015-08-27

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

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

International Nuclear Information System (INIS)

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

1981-01-01

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

Two-vibron bound states in the β–Fermi–Pasta–Ulam model

International Nuclear Information System (INIS)

Hu Xinguang; Tang Yi

2008-01-01

This paper studies the two-vibron bound states in the β–Fermi–Pasta–Ulam model by means of the number conserving approximation combined with the number state method. The results indicate that on-site, adjacent-site and mixed two-vibron bound states may exist in the model. Specially, wave number has a significant effect on such bound states, which may be considered as the quantum effects of the localized states in quantum systems. (condensed matter: structure, thermal and mechanical properties)

A tracer diffusion model derived from microstructure

International Nuclear Information System (INIS)

Lehikoinen, Jarmo; Muurinen, Arto; Olin, Markus

2012-01-01

Document available in extended abstract form only. Full text of publication follows: Numerous attempts have been made to explain the tracer diffusion of various solutes in compacted clays. These attempts have commonly suffered from an inability to describe the diffusion of uncharged and charged solutes with a single unified model. Here, an internally consistent approach to describing the diffusion of solutes in a heterogeneous porous medium, such as compacted bentonite, in terms of its microstructure is presented. The microstructure is taken to be represented by a succession of unit cells, which consist of two consecutive regions (Do, 1996). In the first region, the diffusion is viewed to occur in two parallel paths: one through microcrystalline units (micropores) and the other through meso-pores between the microcrystalline units. Solutes exiting these two paths are then joined together to continue diffusing through the second, disordered, region, connecting the two adjacent microcrystalline units. Adsorption (incl. co-ion exclusion) is thought to occur in the micropores, whereas meso-pores and the disordered region accommodate free species alone. Co-ions are also assumed to experience transfer resistance into and out of the micropores, which is characterized in the model by a transmission coefficient. Although the model is not new per se, its application to compacted clays has never been attempted before. It is shown that in the limit of strong adsorption, the effective diffusivity is limited from above only by the microstructural parameters of the model porous medium. As intuitive and logical as this result may appear, it has not been proven before. In the limit of vanishing disordered region, the effective diffusivity is no longer explicitly constrained by any of the model parameters. The tortuosity of the diffusion path, i.e. the quotient of the actual diffusion path length in the porous-medium coordinates and the characteristic length of the laboratory frame

Modeling the reemergence of information diffusion in social network

Science.gov (United States)

Yang, Dingda; Liao, Xiangwen; Shen, Huawei; Cheng, Xueqi; Chen, Guolong

2018-01-01

Information diffusion in networks is an important research topic in various fields. Existing studies either focus on modeling the process of information diffusion, e.g., independent cascade model and linear threshold model, or investigate information diffusion in networks with certain structural characteristics such as scale-free networks and small world networks. However, there are still several phenomena that have not been captured by existing information diffusion models. One of the prominent phenomena is the reemergence of information diffusion, i.e., a piece of information reemerges after the completion of its initial diffusion process. In this paper, we propose an optimized information diffusion model by introducing a new informed state into traditional susceptible-infected-removed model. We verify the proposed model via simulations in real-world social networks, and the results indicate that the model can reproduce the reemergence of information during the diffusion process.

Optimization of source and detector configurations based on Cramer-Rao lower bound analysis

Science.gov (United States)

Chen, Ling; Chen, Nanguang

2011-03-01

Optimization of source and detector (SD) arrangements in a diffuse optical tomography system is helpful for improving measurements' sensitivity to localized changes in imaging domain and enhancing the capacity of noise resistance. We introduced a rigorous and computationally efficient methodology and adapt it into the diffuse optics field to realize the optimizations of SD arrangements. Our method is based on Cramer-Rao lower bound analysis, which combines the diffusion-forward model and a noise model together. This method can be used to investigate the performance of the SD arrangements through quantitative estimations of lower bounds of the standard variances of the reconstructed perturbation depths and values. More importantly, it provides direct estimations of parameters without solving the inverse problem. Simulations are conducted in the reflection geometry to validate the effectiveness of the method on selections of the optimized SD sets, with a fixed number of sources and detectors, from an SD group on a planar probe surface. The impacts of different noise levels and target perturbation depths are considered in the simulations. It is demonstrated that the SD sets selected by this method afford better reconstructed images. This methodology can be adapted to other probe surfaces and other imaging geometries.

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

International Nuclear Information System (INIS)

Okoya, S.S.

1992-11-01

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

Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions.

Science.gov (United States)

Zhang, Changzhe; Bu, Yuxiang

2016-09-14

Diffuse functions have been proved to be especially crucial for the accurate characterization of excess electrons which are usually bound weakly in intermolecular zones far away from the nuclei. To examine the effects of diffuse functions on the nature of the cavity-shaped excess electrons in water cluster surroundings, both the HOMO and LUMO distributions, vertical detachment energies (VDEs) and visible absorption spectra of two selected (H2O)24(-) isomers are investigated in the present work. Two main types of diffuse functions are considered in calculations including the Pople-style atom-centered diffuse functions and the ghost-atom-based floating diffuse functions. It is found that augmentation of atom-centered diffuse functions contributes to a better description of the HOMO (corresponding to the VDE convergence), in agreement with previous studies, but also leads to unreasonable diffuse characters of the LUMO with significant red-shifts in the visible spectra, which is against the conventional point of view that the more the diffuse functions, the better the results. The issue of designing extra floating functions for excess electrons has also been systematically discussed, which indicates that the floating diffuse functions are necessary not only for reducing the computational cost but also for improving both the HOMO and LUMO accuracy. Thus, the basis sets with a combination of partial atom-centered diffuse functions and floating diffuse functions are recommended for a reliable description of the weakly bound electrons. This work presents an efficient way for characterizing the electronic properties of weakly bound electrons accurately by balancing the addition of atom-centered diffuse functions and floating diffuse functions and also by balancing the computational cost and accuracy of the calculated results, and thus is very useful in the relevant calculations of various solvated electron systems and weakly bound anionic systems.

Diffusion coefficient adaptive correction in Lagrangian puff model

International Nuclear Information System (INIS)

Tan Wenji; Wang Dezhong; Ma Yuanwei; Ji Zhilong

2014-01-01

Lagrangian puff model is widely used in the decision support system for nuclear emergency management. The diffusion coefficient is one of the key parameters impacting puff model. An adaptive method was proposed in this paper, which could correct the diffusion coefficient in Lagrangian puff model, and it aimed to improve the accuracy of calculating the nuclide concentration distribution. This method used detected concentration data, meteorological data and source release data to estimate the actual diffusion coefficient with least square method. The diffusion coefficient adaptive correction method was evaluated by Kincaid data in MVK, and was compared with traditional Pasquill-Gifford (P-G) diffusion scheme method. The results indicate that this diffusion coefficient adaptive correction method can improve the accuracy of Lagrangian puff model. (authors)

Models for light QCD bound states

International Nuclear Information System (INIS)

LaCourse, D.P.

1992-01-01

After a brief overview of Regge, tower, and heavy-quark experimental data, this thesis examines two massless wave equations relevant to quark bound states. We establish general conditions on the Lorentz scalar and Lorentz vector potentials which yield arbitrary leading Regge trajectories for the case of circular classical motion. A semi-classical approximation which includes radial motion reproduces remarkably well the exact solutions. Conditions for tower structure are examined, and found to be incompatible with conditions which give a Nambu stringlike Regge slope. The author then proposes a generalization of the usual potential model of quark bound states in which the confining flux tube is a dynamical object carrying both angular momentum and energy. The Q bar Q-string system with spinless quarks is quantized using an implicit operator technique and the resulting relativistic wave equation is solved. For heavy quarks the usual Schroedinger valence-quark model is recovered. The Regge slope with light quarks agree with the classical rotating-string result and is significantly larger and the effects of short-range forces are also considered. A relativistic generalization of the quantized flux tube model predicts the glueball ground state mass to be √3/α' ≅ 1.9 GeV where α' is the normal Regge slope. The groundstate as well as excited levels like considerably above the expectations of previous models and also above various proposed experimental candidates. The glueball Regge slope is only about three-eighths that for valence quark hadrons. A semi-classical calculation of the Regge slope is in good agreement with a numerically exact value

Modelling Ca2+ bound Troponin in Excitation Contraction Coupling

Directory of Open Access Journals (Sweden)

Henry G. Zot

2016-09-01

Full Text Available To explain disparate decay rates of cytosolic Ca2+ and structural changes in the thin filaments during a twitch, we model the time course of Ca2+ bound troponin (Tn resulting from the free Ca2+ transient of fast skeletal muscle. In fibers stretched beyond overlap, the decay of Ca2+ as measured by a change in fluo 3 fluorescence is significantly slower than the intensity decay of the meridional 1/38.5 nm-1 reflection of Tn; this is not simply explained by considering only the Ca2+ binding properties of Tn alone (Matsuo, T., Iwamoto, H., and Yagi, N. (2010. Biophys. J. 99, 193-200. We apply a comprehensive model that includes the known Ca2+ binding properties of Tn in the context of the thin filament with and without cycling crossbridges. Calculations based on the model predict that the transient of Ca2+ bound Tn correlates with either the fluo 3 time course in muscle with overlapping thin and thick filaments or the intensity of the meridional 1/38.5 nm-1 reflection in overstretched muscle. Hence, cycling crossbridges delay the dissociation of Ca2+ from Tn. Correlation with the fluo 3 fluorescence change is not causal given that the transient of Ca2+ bound Tn depends on sarcomere length, whereas the fluo-3 fluorescence change does not. Transient positions of tropomyosin calculated from the time course of Ca2+ bound Tn are in reasonable agreement with the transient of measured perturbations of the Tn repeat in overlap and non-overlap muscle preparations.

A Weak Comparison Principle for Reaction-Diffusion Systems

Directory of Open Access Journals (Sweden)

José Valero

2012-01-01

Full Text Available We prove a weak comparison principle for a reaction-diffusion system without uniqueness of solutions. We apply the abstract results to the Lotka-Volterra system with diffusion, a generalized logistic equation, and to a model of fractional-order chemical autocatalysis with decay. Moreover, in the case of the Lotka-Volterra system a weak maximum principle is given, and a suitable estimate in the space of essentially bounded functions L∞ is proved for at least one solution of the problem.

A spatial structural derivative model for ultraslow diffusion

Directory of Open Access Journals (Sweden)

Xu Wei

2017-01-01

Full Text Available This study investigates the ultraslow diffusion by a spatial structural derivative, in which the exponential function ex is selected as the structural function to construct the local structural derivative diffusion equation model. The analytical solution of the diffusion equation is a form of Biexponential distribution. Its corresponding mean squared displacement is numerically calculated, and increases more slowly than the logarithmic function of time. The local structural derivative diffusion equation with the structural function ex in space is an alternative physical and mathematical modeling model to characterize a kind of ultraslow diffusion.

Generalized Skyrme model with the loosely bound potential

Science.gov (United States)

Gudnason, Sven Bjarke; Zhang, Baiyang; Ma, Nana

2016-12-01

We study a generalization of the loosely bound Skyrme model which consists of the Skyrme model with a sixth-order derivative term—motivated by its fluidlike properties—and the second-order loosely bound potential—motivated by lowering the classical binding energies of higher-charged Skyrmions. We use the rational map approximation for the Skyrmion of topological charge B =4 , calculate the binding energy of the latter, and estimate the systematic error in using this approximation. In the parameter space that we can explore within the rational map approximation, we find classical binding energies as low as 1.8%, and once taking into account the contribution from spin-isospin quantization, we obtain binding energies as low as 5.3%. We also calculate the contribution from the sixth-order derivative term to the electric charge density and axial coupling.

Modeling of immision from power plants using stream-diffusion model

International Nuclear Information System (INIS)

Kanevce, Lj.; Kanevce, G.; Markoski, A.

1996-01-01

Analyses of simple empirical and integral immision models, comparing with complex three dimensional differential models is given. Complex differential models needs huge computer power, so they can't be useful for practical engineering calculations. In this paper immision modeling, using stream-diffusion approach is presented. Process of dispersion is divided into two parts. First part is called stream part, it's near the source of the pollutants, and it's presented with defected turbulent jet in wind field. This part finished when the velocity of stream (jet) becomes equal with wind speed. Boundary conditions in the end of the first part, are initial for the second, called diffusion part, which is modeling with tri dimensional diffusion equation. Gradient of temperature, wind speed profile and coefficient of diffusion in this model must not be constants, they can change with the height. Presented model is much simpler than the complete meteorological differential models which calculates whole fields of meteorological parameters. Also, it is more complex and gives more valuable results for dispersion of pollutants from widely used integral and empirical models

Coupled reaction-diffusion equations to model the fission gas release in the irradiation of the uranium dioxide

International Nuclear Information System (INIS)

Moyano, Edgardo A.; Scarpettini, Alberto F.

2003-01-01

A semi linear model of weakly coupled parabolic p.d.e. with reaction-diffusion is investigated. The system describes fission gas transfer from grain interior of UO 2 to grain boundaries. The problem is studied in a bounded domain. Using the upper-lower solutions method, two monotone sequences for the finite differences equations are constructed. Reasons are mentioned that allow to affirm that in the proposed functional sector the algorithm converges to the unique solution of the differential system. (author)

Physical Uncertainty Bounds (PUB)

Energy Technology Data Exchange (ETDEWEB)

Vaughan, Diane Elizabeth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Preston, Dean L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-03-19

This paper introduces and motivates the need for a new methodology for determining upper bounds on the uncertainties in simulations of engineered systems due to limited fidelity in the composite continuum-level physics models needed to simulate the systems. We show that traditional uncertainty quantification methods provide, at best, a lower bound on this uncertainty. We propose to obtain bounds on the simulation uncertainties by first determining bounds on the physical quantities or processes relevant to system performance. By bounding these physics processes, as opposed to carrying out statistical analyses of the parameter sets of specific physics models or simply switching out the available physics models, one can obtain upper bounds on the uncertainties in simulated quantities of interest.

Minimal Z' models: present bounds and early LHC reach

International Nuclear Information System (INIS)

Salvioni, Ennio; Zwirner, Fabio; Villadoro, Giovanni

2009-01-01

We consider 'minimal' Z' models, whose phenomenology is controlled by only three parameters beyond the Standard Model ones: the Z' mass and two effective coupling constants. They encompass many popular models motivated by grand unification, as well as many arising in other theoretical contexts. This parameterization takes also into account both mass and kinetic mixing effects, which we show to be sizable in some cases. After discussing the interplay between the bounds from electroweak precision tests and recent direct searches at the Tevatron, we extend our analysis to estimate the early LHC discovery potential. We consider a center-of-mass energy from 7 towards 10 TeV and an integrated luminosity from 50 to several hundred pb -1 , taking all existing bounds into account. We find that the LHC will start exploring virgin land in parameter space for M Z' around 700 GeV, with lower masses still excluded by the Tevatron and higher masses still excluded by electroweak precision tests. Increasing the energy up to 10 TeV, the LHC will start probing a wider range of Z' masses and couplings, although several hundred pb -1 will be needed to explore the regions of couplings favored by grand unification and to overcome the Tevatron bounds in the mass region around 250 GeV.

Estimating Outer Zone Radial Diffusion Coefficients from Drift Scale Fluctuations in Van Allen Particle Data

Science.gov (United States)

O'Brien, T. P., III; Claudepierre, S. G.

2017-12-01

During geomagnetic storms, the Earth's outer radiation belt experiences enhanced radial transport. This transport occurs via phase-dependent radial displacements of particles, either by impulsive events or drift resonant waves. Because transport is phase dependent, it produces drift phase bunching, which can be observed with in situ particle detectors. We provide bounds on the radial diffusion coefficients derived from this drift phase structure as seen by NASA's Van Allen Probes. We compare these bounds to published radial diffusion coefficient models, particularly those derived independently from electromagnetic field observations.

TUNABLE TENSOR VOTING FOR REGULARIZING PUNCTATE PATTERNS OF MEMBRANE-BOUND PROTEIN SIGNALS

OpenAIRE

Loss, Leandro

2009-01-01

Membrane-bound protein, expressed in the basal-lateral region, is heterogeneous and an important endpoint for understanding biological processes. At the optical resolution, membrane-bound protein can be visualized as being diffused (e.g., E-cadherin), punctate (e.g., connexin), or simultaneously diffused and punctate as a result of sample preparation or conditioning. Furthermore, there is a significant amount of heterogeneity as a result of technical and biological variations. This paper aims...

Lagrangian-similarity diffusion-deposition model

International Nuclear Information System (INIS)

Horst, T.W.

1979-01-01

A Lagrangian-similarity diffusion model has been incorporated into the surface-depletion deposition model. This model predicts vertical concentration profiles far downwind of the source that agree with those of a one-dimensional gradient-transfer model

CROSS DIFFUSION AND NONLINEAR DIFFUSION PREVENTING BLOW UP IN THE KELLER–SEGEL MODEL

KAUST Repository

CARRILLO, JOSÉ ANTONIO; HITTMEIR, SABINE; JÜ NGEL, ANSGAR

2012-01-01

A parabolic-parabolic (Patlak-)Keller-Segel model in up to three space dimensions with nonlinear cell diffusion and an additional nonlinear cross-diffusion term is analyzed. The main feature of this model is that there exists a new entropy

Spreading Speed, Traveling Waves, and Minimal Domain Size in Impulsive Reaction–Diffusion Models

KAUST Repository

Lewis, Mark A.

2012-08-15

How growth, mortality, and dispersal in a species affect the species\\' spread and persistence constitutes a central problem in spatial ecology. We propose impulsive reaction-diffusion equation models for species with distinct reproductive and dispersal stages. These models can describe a seasonal birth pulse plus nonlinear mortality and dispersal throughout the year. Alternatively, they can describe seasonal harvesting, plus nonlinear birth and mortality as well as dispersal throughout the year. The population dynamics in the seasonal pulse is described by a discrete map that gives the density of the population at the end of a pulse as a possibly nonmonotone function of the density of the population at the beginning of the pulse. The dynamics in the dispersal stage is governed by a nonlinear reaction-diffusion equation in a bounded or unbounded domain. We develop a spatially explicit theoretical framework that links species vital rates (mortality or fecundity) and dispersal characteristics with species\\' spreading speeds, traveling wave speeds, as well as minimal domain size for species persistence. We provide an explicit formula for the spreading speed in terms of model parameters, and show that the spreading speed can be characterized as the slowest speed of a class of traveling wave solutions. We also give an explicit formula for the minimal domain size using model parameters. Our results show how the diffusion coefficient, and the combination of discrete- and continuous-time growth and mortality determine the spread and persistence dynamics of the population in a wide variety of ecological scenarios. Numerical simulations are presented to demonstrate the theoretical results. © 2012 Society for Mathematical Biology.

Model independent bounds on magnetic moments of Majorana neutrinos

International Nuclear Information System (INIS)

Bell, Nicole F.; Gorchtein, Mikhail; Ramsey-Musolf, Michael J.; Vogel, Petr; Wang, Peng

2006-01-01

We analyze the implications of neutrino masses for the magnitude of neutrino magnetic moments. By considering electroweak radiative corrections to the neutrino mass, we derive model-independent naturalness upper bounds on neutrino magnetic moments, μ ν , generated by physics above the electroweak scale. For Dirac neutrinos, the bound is several orders of magnitude more stringent than present experimental limits. However, for Majorana neutrinos the magnetic moment contribution to the mass is Yukawa suppressed. The bounds we derive for magnetic moments of Majorana neutrinos are weaker than present experimental limits if μ ν is generated by new physics at ∼1 TeV, and surpass current experimental sensitivity only for new physics scales >10-100 TeV. The discovery of a neutrino magnetic moment near present limits would thus signify that neutrinos are Majorana particles

Error assessment of biogeochemical models by lower bound methods (NOMMA-1.0

Directory of Open Access Journals (Sweden)

V. Sauerland

2018-03-01

Full Text Available Biogeochemical models, capturing the major feedbacks of the pelagic ecosystem of the world ocean, are today often embedded into Earth system models which are increasingly used for decision making regarding climate policies. These models contain poorly constrained parameters (e.g., maximum phytoplankton growth rate, which are typically adjusted until the model shows reasonable behavior. Systematic approaches determine these parameters by minimizing the misfit between the model and observational data. In most common model approaches, however, the underlying functions mimicking the biogeochemical processes are nonlinear and non-convex. Thus, systematic optimization algorithms are likely to get trapped in local minima and might lead to non-optimal results. To judge the quality of an obtained parameter estimate, we propose determining a preferably large lower bound for the global optimum that is relatively easy to obtain and that will help to assess the quality of an optimum, generated by an optimization algorithm. Due to the unavoidable noise component in all observations, such a lower bound is typically larger than zero. We suggest deriving such lower bounds based on typical properties of biogeochemical models (e.g., a limited number of extremes and a bounded time derivative. We illustrate the applicability of the method with two real-world examples. The first example uses real-world observations of the Baltic Sea in a box model setup. The second example considers a three-dimensional coupled ocean circulation model in combination with satellite chlorophyll a.

Error assessment of biogeochemical models by lower bound methods (NOMMA-1.0)

Science.gov (United States)

Sauerland, Volkmar; Löptien, Ulrike; Leonhard, Claudine; Oschlies, Andreas; Srivastav, Anand

2018-03-01

Biogeochemical models, capturing the major feedbacks of the pelagic ecosystem of the world ocean, are today often embedded into Earth system models which are increasingly used for decision making regarding climate policies. These models contain poorly constrained parameters (e.g., maximum phytoplankton growth rate), which are typically adjusted until the model shows reasonable behavior. Systematic approaches determine these parameters by minimizing the misfit between the model and observational data. In most common model approaches, however, the underlying functions mimicking the biogeochemical processes are nonlinear and non-convex. Thus, systematic optimization algorithms are likely to get trapped in local minima and might lead to non-optimal results. To judge the quality of an obtained parameter estimate, we propose determining a preferably large lower bound for the global optimum that is relatively easy to obtain and that will help to assess the quality of an optimum, generated by an optimization algorithm. Due to the unavoidable noise component in all observations, such a lower bound is typically larger than zero. We suggest deriving such lower bounds based on typical properties of biogeochemical models (e.g., a limited number of extremes and a bounded time derivative). We illustrate the applicability of the method with two real-world examples. The first example uses real-world observations of the Baltic Sea in a box model setup. The second example considers a three-dimensional coupled ocean circulation model in combination with satellite chlorophyll a.

Symmetries and modelling functions for diffusion processes

International Nuclear Information System (INIS)

Nikitin, A G; Spichak, S V; Vedula, Yu S; Naumovets, A G

2009-01-01

A constructive approach to the theory of diffusion processes is proposed, which is based on application of both symmetry analysis and the method of modelling functions. An algorithm for construction of the modelling functions is suggested. This algorithm is based on the error function expansion (ERFEX) of experimental concentration profiles. The high-accuracy analytical description of the profiles provided by ERFEX approximation allows a convenient extraction of the concentration dependence of diffusivity from experimental data and prediction of the diffusion process. Our analysis is exemplified by its employment in experimental results obtained for surface diffusion of lithium on the molybdenum (1 1 2) surface precovered with dysprosium. The ERFEX approximation can be directly extended to many other diffusion systems.

Re-derived overclosure bound for the inert doublet model

Science.gov (United States)

Biondini, S.; Laine, M.

2017-08-01

We apply a formalism accounting for thermal effects (such as modified Sommerfeld effect; Salpeter correction; decohering scatterings; dissociation of bound states), to one of the simplest WIMP-like dark matter models, associated with an "inert" Higgs doublet. A broad temperature range T ˜ M/20 . . . M/104 is considered, stressing the importance and less-understood nature of late annihilation stages. Even though only weak interactions play a role, we find that resummed real and virtual corrections increase the tree-level overclosure bound by 1 . . . 18%, depending on quartic couplings and mass splittings.

Stochastic Modelling of the Diffusion Coefficient for Concrete

DEFF Research Database (Denmark)

Thoft-Christensen, Palle

In the paper, a new stochastic modelling of the diffusion coefficient D is presented. The modelling is based on physical understanding of the diffusion process and on some recent experimental results. The diffusion coefficients D is strongly dependent on the w/c ratio and the temperature....

A diffusivity model for predicting VOC diffusion in porous building materials based on fractal theory

International Nuclear Information System (INIS)

Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping

2015-01-01

Highlights: • Fractal theory is introduced into the prediction of VOC diffusion coefficient. • MSFC model of the diffusion coefficient is developed for porous building materials. • The MSFC model contains detailed pore structure parameters. • The accuracy of the MSFC model is verified by independent experiments. - Abstract: Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber.

Effectiveness of a consistently formulated diffusion-synthetic acceleration differencing approach

International Nuclear Information System (INIS)

Khalil, H.

1988-01-01

A consistently formulated differencing approach is applied to the diffusion-synthetic acceleration of discrete ordinates calculations based on various spatial differencing schemes. The diffusion ''coupling'' equations derived for each scheme are contrasted to conventional coupling relations and are shown to permit derivation of either point- or box-centered diffusion difference equations. The resulting difference equations are shown to be mathematically equivalent, in slab geometry, to equations derived by applying Larsen's four-step procedure to the S/sub 2/ equations. Fourier stability analysis of the acceleration method applied to slab model problems is used to demonstrate that, for any S/sub n/ differencing scheme (a) the upper bound on the spectral radius of the method occurs in the fine-mesh limit and equals that of the spatially continuous case (0.22466), and (b) the spectral radius decreases with increasing mesh size to an asymptotic value <0.13135. This model problem performance is somewhat superior to that of Larsen's approach, for which the spectral radius is bounded by 0.25 in the wide-mesh limit. Numerical results of multidimensional, heterogeneous, scattering-dominated problems are also presented to demonstrate the rapid convergence of accelerated discrete ordinates calculations using various spatial differencing schemes

Fractional diffusion models of nonlocal transport

International Nuclear Information System (INIS)

Castillo-Negrete, D. del

2006-01-01

A class of nonlocal models based on the use of fractional derivatives (FDs) is proposed to describe nondiffusive transport in magnetically confined plasmas. FDs are integro-differential operators that incorporate in a unified framework asymmetric non-Fickian transport, non-Markovian ('memory') effects, and nondiffusive scaling. To overcome the limitations of fractional models in unbounded domains, we use regularized FDs that allow the incorporation of finite-size domain effects, boundary conditions, and variable diffusivities. We present an α-weighted explicit/implicit numerical integration scheme based on the Grunwald-Letnikov representation of the regularized fractional diffusion operator in flux conserving form. In sharp contrast with the standard diffusive model, the strong nonlocality of fractional diffusion leads to a linear in time response for a decaying pulse at short times. In addition, an anomalous fractional pinch is observed, accompanied by the development of an uphill transport region where the 'effective' diffusivity becomes negative. The fractional flux is in general asymmetric and, for steady states, it has a negative (toward the core) component that enhances confinement and a positive component that increases toward the edge and leads to poor confinement. The model exhibits the characteristic anomalous scaling of the confinement time, τ, with the system's size, L, τ∼L α , of low-confinement mode plasma where 1<α<2 is the order of the FD operator. Numerical solutions of the model with an off-axis source show that the fractional inward transport gives rise to profile peaking reminiscent of what is observed in tokamak discharges with auxiliary off-axis heating. Also, cold-pulse perturbations to steady sates in the model exhibit fast, nondiffusive propagation phenomena that resemble perturbative experiments

Upper Higgs boson mass bounds from a chirally invariant lattice Higgs-Yukawa Model

Energy Technology Data Exchange (ETDEWEB)

Gerhold, P. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; John von Neumann-Institut fuer Computing NIC/DESY, Zeuthen (Germany); Jansen, K. [John von Neumann-Institut fuer Computing NIC/DESY, Zeuthen (Germany)

2010-02-15

We establish the cutoff-dependent upper Higgs boson mass bound by means of direct lattice computations in the framework of a chirally invariant lattice Higgs-Yukawa model emulating the same chiral Yukawa coupling structure as in the Higgs-fermion sector of the Standard Model. As expected from the triviality picture of the Higgs sector, we observe the upper mass bound to decrease with rising cutoff parameter {lambda}. Moreover, the strength of the fermionic contribution to the upper mass bound is explored by comparing to the corresponding analysis in the pure {phi}{sup 4}-theory. (orig.)

Nonlinear diffusion problem arising in plasma physics

International Nuclear Information System (INIS)

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

1978-01-01

In earlier studies of plasma diffusion with Okuda-Dawson scaling (D approx. n/sup -1/2/), perturbation theory indicated that arbitrary initial data should evolve rapidly toward the separation solution of the relevant nonlinear diffusion equation. Now a Lyapunov functional has been found which is strictly decreasing in time and bounded below. The rigorous proof that arbitrary initial data evolve toeard the separable solution is summarized. Rigorous bounds on the decay time are also presented

Multiphase Microfluidics The Diffuse Interface Model

CERN Document Server

2012-01-01

Multiphase flows are typically described assuming that the different phases are separated by a sharp interface, with appropriate boundary conditions. This approach breaks down whenever the lengthscale of the phenomenon that is being studied is comparable with the real interface thickness, as it happens, for example, in the coalescence and breakup of bubbles and drops, the wetting and dewetting of solid surfaces and, in general, im micro-devices. The diffuse interface model resolves these probems by assuming that all quantities can vary continuously, so that interfaces have a non-zero thickness, i.e. they are "diffuse". The contributions in this book review the theory and describe some relevant applications of the diffuse interface model for one-component, two-phase fluids and for liquid binary mixtures, to model multiphase flows in confined geometries.

Local structure of Rb2Li4(SeO4)3·2H2O by the modeling of X-ray diffuse scattering — from average-structure to microdomain model

International Nuclear Information System (INIS)

Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam

2012-01-01

Local structure of dirubidium tetralithium tris(selenate(VI)) dihydrate — Rb 2 Li 4 (SeO 4 ) 3 · 2H 2 O has been determined basing on the modeling of X-ray diffuse scattering. The origin of observed structured diffuse streaks is SeO 4 tetrahedra switching between two alternative positions in two quasi-planar layers existing in each unit cell and formation of domains with specific SeO 4 tetrahedra configuration locally fulfilling condition for C-centering in the 2a×2b×c superstructure cell. The local structure solution is characterized by a uniform distribution of rather large domains (ca. thousand of unit cells) in two layers, but also monodomains can be taken into account. Inside a single domain SeO 4 tetrahedra are ordered along ab-diagonal forming two-string ribbons. Inside the ribbons SeO 4 and LiO 4 tetrahedra share the oxygen corners, whereas ribbons are bound to each other by a net of hydrogen bonds and fastened by corner sharing SeO 4 tetrahedra of the neighboring layers. - Graphical abstract: Experimental sections of the reciprocal space showing diffraction effects observed for RLSO. Bragg spots are visible on sections with integer indices (1 kl section — on the left), streaks — on sections with fractional ones (1.5 kl section — on the right). At the center: resulting local structure of the A package modeled as a microdomain: two-string ribbons of ordered oxygen-corners-sharing SeO 4 and LiO 4 terahedra extended along ab-diagonal are seen; ribbons are bound by hydrogen bonds (shown in pink); the multiplied 2a×2b unit cell is shown. Highlights: ► X-ray diffuse scattering in RLSO was registered and modeled. ► The origin of diffuse streaks is SeO 4 tetrahedra switching in two structure layers. ► The local structure is characterized by a uniform distribution of microdomains. ► Inside a single domain SeO 4 tetrahedra are ordered along ab-diagonal forming ribbons. ► The ribbons are bound to each other by a net of hydrogen bonds.

Gallium interstitial contributions to diffusion in gallium arsenide

Science.gov (United States)

Schick, Joseph T.; Morgan, Caroline G.

2011-09-01

A new diffusion path is identified for gallium interstitials, which involves lower barriers than the barriers for previously identified diffusion paths [K. Levasseur-Smith and N. Mousseau, J. Appl. Phys. 103, 113502 (2008), P. A. Schultz and O. A. von Lilienfeld, Modelling and Simulation in Materials Science and Engineering 17, 084007 (2009)] for the charge states which dominate diffusion over most of the available range of Fermi energies. This path passes through the ⟨110⟩ gallium-gallium split interstitial configuration, and has a particularly low diffusion barrier of 0.35 eV for diffusion in the neutral charge state. As a part of this work, the character of the charge states for the gallium interstitials which are most important for diffusion is investigated, and it is shown that the last electron bound to the neutral interstitial occupies a shallow hydrogenic bound state composed of conduction band states for the hexagonal interstitial and both tetrahedral interstitials. How to properly account for the contributions of such interstitials is discussed for density-functional calculations with a k-point mesh not including the conduction band edge point. Diffusion barriers for gallium interstitials are calculated in all the charge states which can be important for a Fermi level anywhere in the gap, q = 0, +1, +2, and +3, for diffusion via the ⟨110⟩ gallium-gallium split interstitial configuration and via the hexagonal interstitial configuration. The lowest activation enthalpies over most of the available range of Fermi energies are found to correspond to diffusion in the neutral or singly positive state via the ⟨110⟩ gallium-gallium split interstitial configuration. It is shown that several different charge states and diffusion paths contribute significantly for Fermi levels within 0.2 eV above the valence band edge, which may help to explain some of the difficulties [H. Bracht and S. Brotzmann, Phys. Rev. B 71, 115216 (2005)] which have been

Modelling of diffuse solar fraction with multiple predictors

Energy Technology Data Exchange (ETDEWEB)

Ridley, Barbara; Boland, John [Centre for Industrial and Applied Mathematics, University of South Australia, Mawson Lakes Boulevard, Mawson Lakes, SA 5095 (Australia); Lauret, Philippe [Laboratoire de Physique du Batiment et des Systemes, University of La Reunion, Reunion (France)

2010-02-15

For some locations both global and diffuse solar radiation are measured. However, for many locations, only global radiation is measured, or inferred from satellite data. For modelling solar energy applications, the amount of radiation on a tilted surface is needed. Since only the direct component on a tilted surface can be calculated from direct on some other plane using trigonometry, we need to have diffuse radiation on the horizontal plane available. There are regression relationships for estimating the diffuse on a tilted surface from diffuse on the horizontal. Models for estimating the diffuse on the horizontal from horizontal global that have been developed in Europe or North America have proved to be inadequate for Australia. Boland et al. developed a validated model for Australian conditions. Boland et al. detailed our recent advances in developing the theoretical framework for the use of the logistic function instead of piecewise linear or simple nonlinear functions and was the first step in identifying the means for developing a generic model for estimating diffuse from global and other predictors. We have developed a multiple predictor model, which is much simpler than previous models, and uses hourly clearness index, daily clearness index, solar altitude, apparent solar time and a measure of persistence of global radiation level as predictors. This model performs marginally better than currently used models for locations in the Northern Hemisphere and substantially better for Southern Hemisphere locations. We suggest it can be used as a universal model. (author)

Higgs mass bounds from a chirally invariant lattice Higgs-Yukawa model with overlap fermions

International Nuclear Information System (INIS)

Gerhold, Philipp; Kallarackal, Jim

2008-10-01

We study the parameter dependence of the Higgs mass in a chirally invariant lattice Higgs-Yukawa model emulating the same Higgs-fermion coupling structure as in the Higgs sector of the electroweak Standard Model. Eventually, the aim is to establish upper and lower Higgs mass bounds. Here we present our preliminary results on the lower Higgs mass bound at several selected values for the cutoff and give a brief outlook towards the upper Higgs mass bound. (orig.)

Fractional diffusion models of transport in magnetically confined plasmas

International Nuclear Information System (INIS)

Castillo-Negrete, D. del; Carreras, B. A.; Lynch, V. E.

2005-01-01

Experimental and theoretical evidence suggests that transport in magnetically confined fusion plasmas deviates from the standard diffusion paradigm. Some examples include the confinement time scaling in L-mode plasmas, rapid pulse propagation phenomena, and inward transport in off-axis fueling experiments. The limitations of the diffusion paradigm can be traced back to the restrictive assumptions in which it is based. In particular, Fick's law, one of the cornerstones of diffusive transport, assumes that the fluxes only depend on local quantities, i. e. the spatial gradient of the field (s). another key issue is the Markovian assumption that neglects memory effects. Also, at a microscopic level, standard diffusion assumes and underlying Gaussian, uncorrelated stochastic process (i. e. a Brownian random walk) with well defined characteristic spatio-temporal scales. Motivated by the need to develop models of non-diffusive transport, we discuss here a class of transport models base on the use of fractional derivative operators. The models incorporates in a unified way non-Fickian transport, non-Markovian processes or memory effects, and non-diffusive scaling. At a microscopic level, the models describe an underlying stochastic process without characteristic spatio-temporal scales that generalizes the Brownian random walk. As a concrete case study to motivate and test the model, we consider transport of tracers in three-dimensional, pressure-gradient-driven turbulence. We show that in this system transport is non-diffusive and cannot be described in the context of the standard diffusion parading. In particular, the probability density function (pdf) of the radial displacements of tracers is strongly non-Gaussian with algebraic decaying tails, and the moments of the tracer displacements exhibit super-diffusive scaling. there is quantitative agreement between the turbulence transport calculations and the proposed fractional diffusion model. In particular, the model

Lévy flight with absorption: A model for diffusing diffusivity with long tails

Science.gov (United States)

Jain, Rohit; Sebastian, K. L.

2017-03-01

We consider diffusion of a particle in rearranging environment, so that the diffusivity of the particle is a stochastic function of time. In our previous model of "diffusing diffusivity" [Jain and Sebastian, J. Phys. Chem. B 120, 3988 (2016), 10.1021/acs.jpcb.6b01527], it was shown that the mean square displacement of particle remains Fickian, i.e., ∝T at all times, but the probability distribution of particle displacement is not Gaussian at all times. It is exponential at short times and crosses over to become Gaussian only in a large time limit in the case where the distribution of D in that model has a steady state limit which is exponential, i.e., πe(D ) ˜e-D /D0 . In the present study, we model the diffusivity of a particle as a Lévy flight process so that D has a power-law tailed distribution, viz., πe(D ) ˜D-1 -α with 0 <α <1 . We find that in the short time limit, the width of displacement distribution is proportional to √{T }, implying that the diffusion is Fickian. But for long times, the width is proportional to T1 /2 α which is a characteristic of anomalous diffusion. The distribution function for the displacement of the particle is found to be a symmetric stable distribution with a stability index 2 α which preserves its shape at all times.

Marginal Consistency: Upper-Bounding Partition Functions over Commutative Semirings.

Science.gov (United States)

Werner, Tomás

2015-07-01

Many inference tasks in pattern recognition and artificial intelligence lead to partition functions in which addition and multiplication are abstract binary operations forming a commutative semiring. By generalizing max-sum diffusion (one of convergent message passing algorithms for approximate MAP inference in graphical models), we propose an iterative algorithm to upper bound such partition functions over commutative semirings. The iteration of the algorithm is remarkably simple: change any two factors of the partition function such that their product remains the same and their overlapping marginals become equal. In many commutative semirings, repeating this iteration for different pairs of factors converges to a fixed point when the overlapping marginals of every pair of factors coincide. We call this state marginal consistency. During that, an upper bound on the partition function monotonically decreases. This abstract algorithm unifies several existing algorithms, including max-sum diffusion and basic constraint propagation (or local consistency) algorithms in constraint programming. We further construct a hierarchy of marginal consistencies of increasingly higher levels and show than any such level can be enforced by adding identity factors of higher arity (order). Finally, we discuss instances of the framework for several semirings, including the distributive lattice and the max-sum and sum-product semirings.

Stieltjes electrostatic model interpretation for bound state problems

Indian Academy of Sciences (India)

In this paper, it is shown that Stieltjes electrostatic model and quantum Hamilton Jacobi formalism are analogous to each other. This analogy allows the bound state problem to mimic as unit moving imaginary charges i ℏ , which are placed in between the two fixed imaginary charges arising due to the classical turning ...

Diffusion-limited mixing by incompressible flows

Science.gov (United States)

Miles, Christopher J.; Doering, Charles R.

2018-05-01

Incompressible flows can be effective mixers by appropriately advecting a passive tracer to produce small filamentation length scales. In addition, diffusion is generally perceived as beneficial to mixing due to its ability to homogenize a passive tracer. However we provide numerical evidence that, in cases where advection and diffusion are both actively present, diffusion may produce negative effects by limiting the mixing effectiveness of incompressible optimal flows. This limitation appears to be due to the presence of a limiting length scale given by a generalised Batchelor length (Batchelor 1959 J. Fluid Mech. 5 113–33). This length scale limitation may in turn affect long-term mixing rates. More specifically, we consider local-in-time flow optimisation under energy and enstrophy flow constraints with the objective of maximising the mixing rate. We observe that, for enstrophy-bounded optimal flows, the strength of diffusion may not impact the long-term mixing rate. For energy-constrained optimal flows, however, an increase in the strength of diffusion can decrease the mixing rate. We provide analytical lower bounds on mixing rates and length scales achievable under related constraints (point-wise bounded speed and rate-of-strain) by extending the work of Lin et al (2011 J. Fluid Mech. 675 465–76) and Poon (1996 Commun. PDE 21 521–39).

A variable-order fractal derivative model for anomalous diffusion

Directory of Open Access Journals (Sweden)

Liu Xiaoting

2017-01-01

Full Text Available This paper pays attention to develop a variable-order fractal derivative model for anomalous diffusion. Previous investigations have indicated that the medium structure, fractal dimension or porosity may change with time or space during solute transport processes, results in time or spatial dependent anomalous diffusion phenomena. Hereby, this study makes an attempt to introduce a variable-order fractal derivative diffusion model, in which the index of fractal derivative depends on temporal moment or spatial position, to characterize the above mentioned anomalous diffusion (or transport processes. Compared with other models, the main advantages in description and the physical explanation of new model are explored by numerical simulation. Further discussions on the dissimilitude such as computational efficiency, diffusion behavior and heavy tail phenomena of the new model and variable-order fractional derivative model are also offered.

Verification of atmospheric diffusion models using data of long term atmospheric diffusion experiments

International Nuclear Information System (INIS)

Tamura, Junji; Kido, Hiroko; Hato, Shinji; Homma, Toshimitsu

2009-03-01

Straight-line or segmented plume models as atmospheric diffusion models are commonly used in probabilistic accident consequence assessment (PCA) codes due to cost and time savings. The PCA code, OSCAAR developed by Japan Atomic Energy Research Institute (Present; Japan Atomic Energy Agency) uses the variable puff trajectory model to calculate atmospheric transport and dispersion of released radionuclides. In order to investigate uncertainties involved with the structure of the atmospheric dispersion/deposition model in OSCAAR, we have introduced the more sophisticated computer codes that included regional meteorological models RAMS and atmospheric transport model HYPACT, which were developed by Colorado State University, and comparative analyses between OSCAAR and RAMS/HYPACT have been performed. In this study, model verification of OSCAAR and RAMS/HYPACT was conducted using data of long term atmospheric diffusion experiments, which were carried out in Tokai-mura, Ibaraki-ken. The predictions by models and the results of the atmospheric diffusion experiments indicated relatively good agreements. And it was shown that model performance of OSCAAR was the same degree as it of RAMS/HYPACT. (author)

Charge diffusion and the butterfly effect in striped holographic matter

Energy Technology Data Exchange (ETDEWEB)

Lucas, Andrew [Department of Physics, Harvard University,Cambridge, MA 02138 (United States); Department of Physics, Stanford University,Stanford, CA 94305 (United States); Steinberg, Julia [Department of Physics, Harvard University,Cambridge, MA 02138 (United States)

2016-10-26

Recently, it has been proposed that the butterfly velocity — a speed at which quantum information propagates — may provide a fundamental bound on diffusion constants in dirty incoherent metals. We analytically compute the charge diffusion constant and the butterfly velocity in charge-neutral holographic matter with long wavelength “hydrodynamic' disorder in a single spatial direction. In this limit, we find that the butterfly velocity does not set a sharp lower bound for the charge diffusion constant.

Charge diffusion and the butterfly effect in striped holographic matter

International Nuclear Information System (INIS)

Lucas, Andrew; Steinberg, Julia

2016-01-01

Recently, it has been proposed that the butterfly velocity — a speed at which quantum information propagates — may provide a fundamental bound on diffusion constants in dirty incoherent metals. We analytically compute the charge diffusion constant and the butterfly velocity in charge-neutral holographic matter with long wavelength “hydrodynamic' disorder in a single spatial direction. In this limit, we find that the butterfly velocity does not set a sharp lower bound for the charge diffusion constant.

Diffuse radiation models and monthly-average, daily, diffuse data for a wide latitude range

International Nuclear Information System (INIS)

Gopinathan, K.K.; Soler, A.

1995-01-01

Several years of measured data on global and diffuse radiation and sunshine duration for 40 widely spread locations in the latitude range 36° S to 60° N are used to develop and test models for estimating monthly-mean, daily, diffuse radiation on horizontal surfaces. Applicability of the clearness-index (K) and sunshine fraction (SSO) models for diffuse estimation and the effect of combining several variables into a single multilinear equation are tested. Correlations connecting the diffuse to global fraction (HdH) with K and SSO predict Hd values more accurately than their separate use. Among clearness-index and sunshine-fraction models, SSO models are found to have better accuracy if correlations are developed for wide latitude ranges. By including a term for declinations in the correlation, the accuracy of the estimated data can be marginally improved. The addition of latitude to the equation does not help to improve the accuracy further. (author)

Study of a diffusion flamelet model, with preferential diffusion effects included

NARCIS (Netherlands)

Delhaye, S.; Somers, L.M.T.; Bongers, H.; Oijen, van J.A.; Goey, de L.P.H.; Dias, V.

2005-01-01

The non-premixed flamelet model of Peters [1] (model1), which does not include preferential diffusion effects is investigated. Two similar models are presented, but without the assumption of unity Lewis numbers. One of these models was derived by Peters & Pitsch [2] (model2), while the other one was

A Model-Free No-arbitrage Price Bound for Variance Options

Energy Technology Data Exchange (ETDEWEB)

Bonnans, J. Frederic, E-mail: frederic.bonnans@inria.fr [Ecole Polytechnique, INRIA-Saclay (France); Tan Xiaolu, E-mail: xiaolu.tan@polytechnique.edu [Ecole Polytechnique, CMAP (France)

2013-08-01

We suggest a numerical approximation for an optimization problem, motivated by its applications in finance to find the model-free no-arbitrage bound of variance options given the marginal distributions of the underlying asset. A first approximation restricts the computation to a bounded domain. Then we propose a gradient projection algorithm together with the finite difference scheme to solve the optimization problem. We prove the general convergence, and derive some convergence rate estimates. Finally, we give some numerical examples to test the efficiency of the algorithm.

A new model of anomalous phosphorus diffusion in silicon

International Nuclear Information System (INIS)

Budil, M.; Poetzl, H.; Stingeder, G.; Grasserbauer, M.

1989-01-01

A model is presented to describe the 'kink and tail' diffusion of phosphorus. The diffusion behaviour of phosphorus is expplained by the motion of phosphorus-interstitial and phosphorus-vacancy pairs in different charge states. The model yields the enhancement of diffusion in the tail region depending on surface concentration. Furthermore it yields the same selfdiffusion coefficient for interstitials as the gold diffusion experiments. A transformation of the diffusion equation was found to reduce the number of simulation equations. (author) 7 refs., 5 figs

Anomalous Diffusion Approximation of Risk Processes in Operational Risk of Non-Financial Corporations

Science.gov (United States)

Magdziarz, M.; Mista, P.; Weron, A.

2007-05-01

We introduce an approximation of the risk processes by anomalous diffusion. In the paper we consider the case, where the waiting times between successive occurrences of the claims belong to the domain of attraction of alpha -stable distribution. The relationship between the obtained approximation and the celebrated fractional diffusion equation is emphasised. We also establish upper bounds for the ruin probability in the considered model and give some numerical examples.

Bounding uncertainty in volumetric geometric models for terrestrial lidar observations of ecosystems.

Science.gov (United States)

Paynter, Ian; Genest, Daniel; Peri, Francesco; Schaaf, Crystal

2018-04-06

Volumetric models with known biases are shown to provide bounds for the uncertainty in estimations of volume for ecologically interesting objects, observed with a terrestrial laser scanner (TLS) instrument. Bounding cuboids, three-dimensional convex hull polygons, voxels, the Outer Hull Model and Square Based Columns (SBCs) are considered for their ability to estimate the volume of temperate and tropical trees, as well as geomorphological features such as bluffs and saltmarsh creeks. For temperate trees, supplementary geometric models are evaluated for their ability to bound the uncertainty in cylinder-based reconstructions, finding that coarser volumetric methods do not currently constrain volume meaningfully, but may be helpful with further refinement, or in hybridized models. Three-dimensional convex hull polygons consistently overestimate object volume, and SBCs consistently underestimate volume. Voxel estimations vary in their bias, due to the point density of the TLS data, and occlusion, particularly in trees. The response of the models to parametrization is analysed, observing unexpected trends in the SBC estimates for the drumlin dataset. Establishing that this result is due to the resolution of the TLS observations being insufficient to support the resolution of the geometric model, it is suggested that geometric models with predictable outcomes can also highlight data quality issues when they produce illogical results.

A diffusivity model for predicting VOC diffusion in porous building materials based on fractal theory.

Science.gov (United States)

Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping

2015-12-15

Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber. Copyright © 2015 Elsevier B.V. All rights reserved.

Vulnerable Derivatives and Good Deal Bounds: A Structural Model

DEFF Research Database (Denmark)

Murgoci, Agatha

2013-01-01

We price vulnerable derivatives -- i.e. derivatives where the counterparty may default. These are basically the derivatives traded on the over-the-counter (OTC) markets. Default is modeled in a structural framework. The technique employed for pricing is good deal bounds (GDBs). The method imposes...

Finite state projection based bounds to compare chemical master equation models using single-cell data

Energy Technology Data Exchange (ETDEWEB)

Fox, Zachary [School of Biomedical Engineering, Colorado State University, Fort Collins, Colorado 80523 (United States); Neuert, Gregor [Department of Molecular Physiology and Biophysics, Vanderbilt University School of Medicine, Nashville, Tennessee 37232 (United States); Department of Pharmacology, School of Medicine, Vanderbilt University, Nashville, Tennessee 37232 (United States); Department of Biomedical Engineering, Vanderbilt University School of Engineering, Nashville, Tennessee 37232 (United States); Munsky, Brian [School of Biomedical Engineering, Colorado State University, Fort Collins, Colorado 80523 (United States); Department of Chemical and Biological Engineering, Colorado State University, Fort Collins, Colorado 80523 (United States)

2016-08-21

Emerging techniques now allow for precise quantification of distributions of biological molecules in single cells. These rapidly advancing experimental methods have created a need for more rigorous and efficient modeling tools. Here, we derive new bounds on the likelihood that observations of single-cell, single-molecule responses come from a discrete stochastic model, posed in the form of the chemical master equation. These strict upper and lower bounds are based on a finite state projection approach, and they converge monotonically to the exact likelihood value. These bounds allow one to discriminate rigorously between models and with a minimum level of computational effort. In practice, these bounds can be incorporated into stochastic model identification and parameter inference routines, which improve the accuracy and efficiency of endeavors to analyze and predict single-cell behavior. We demonstrate the applicability of our approach using simulated data for three example models as well as for experimental measurements of a time-varying stochastic transcriptional response in yeast.

Verification of atmospheric diffusion models with data of atmospheric diffusion experiments

International Nuclear Information System (INIS)

Hato, Shinji; Homma, Toshimitsu

2009-02-01

The atmospheric diffusion experiments were implemented by Japan Atomic Energy Research Institute (JAERI) around Mount Tsukuba in 1989 and 1990, and the tracer gas concentration were monitored. In this study, the Gauss Plume Model and RAMS/HYPACT that are meteorological forecast code and atmospheric diffusion code with detailed physical law are made a comparison between monitored concentration. In conclusion, the Gauss Plume Model is better than RAM/HYPACT even complex topography if the estimation is around tens of kilometer form release point and the change in weather is constant for short time. This reason is difference of wind between RAMS and observation. (author)

Diffuse-interface model for rapid phase transformations in nonequilibrium systems.

Science.gov (United States)

Galenko, Peter; Jou, David

2005-04-01

A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and the space of fast variables, we introduce finiteness of the heat and solute diffusive propagation at the finite speed of the interface advancing. To describe transformations within the diffuse interface, we use the phase-field model which allows us to follow steep but smooth changes of phase within the width of the diffuse interface. Governing equations of the phase-field model are derived for the hyperbolic model, a model with memory, and a model of nonlinear evolution of transformation within the diffuse interface. The consistency of the model is proved by the verification of the validity of the condition of positive entropy production and by outcomes of the fluctuation-dissipation theorem. A comparison with existing sharp-interface and diffuse-interface versions of the model is given.

Matrix diffusion model. In situ tests using natural analogues

International Nuclear Information System (INIS)

Rasilainen, K.

1997-11-01

Matrix diffusion is an important retarding and dispersing mechanism for substances carried by groundwater in fractured bedrock. Natural analogues provide, unlike laboratory or field experiments, a possibility to test the model of matrix diffusion in situ over long periods of time. This thesis documents quantitative model tests against in situ observations, done to support modelling of matrix diffusion in performance assessments of nuclear waste repositories

Bulk diffusion in a kinetically constrained lattice gas

Science.gov (United States)

Arita, Chikashi; Krapivsky, P. L.; Mallick, Kirone

2018-03-01

In the hydrodynamic regime, the evolution of a stochastic lattice gas with symmetric hopping rules is described by a diffusion equation with density-dependent diffusion coefficient encapsulating all microscopic details of the dynamics. This diffusion coefficient is, in principle, determined by a Green-Kubo formula. In practice, even when the equilibrium properties of a lattice gas are analytically known, the diffusion coefficient cannot be computed except when a lattice gas additionally satisfies the gradient condition. We develop a procedure to systematically obtain analytical approximations for the diffusion coefficient for non-gradient lattice gases with known equilibrium. The method relies on a variational formula found by Varadhan and Spohn which is a version of the Green-Kubo formula particularly suitable for diffusive lattice gases. Restricting the variational formula to finite-dimensional sub-spaces allows one to perform the minimization and gives upper bounds for the diffusion coefficient. We apply this approach to a kinetically constrained non-gradient lattice gas in two dimensions, viz. to the Kob-Andersen model on the square lattice.

Diffuse solar radiation estimation models for Turkey's big cities

International Nuclear Information System (INIS)

Ulgen, Koray; Hepbasli, Arif

2009-01-01

A reasonably accurate knowledge of the availability of the solar resource at any place is required by solar engineers, architects, agriculturists, and hydrologists in many applications of solar energy such as solar furnaces, concentrating collectors, and interior illumination of buildings. For this purpose, in the past, various empirical models (or correlations) have been developed in order to estimate the solar radiation around the world. This study deals with diffuse solar radiation estimation models along with statistical test methods used to statistically evaluate their performance. Models used to predict monthly average daily values of diffuse solar radiation are classified in four groups as follows: (i) From the diffuse fraction or cloudness index, function of the clearness index, (ii) From the diffuse fraction or cloudness index, function of the relative sunshine duration or sunshine fraction, (iii) From the diffuse coefficient, function of the clearness index, and (iv) From the diffuse coefficient, function of the relative sunshine duration or sunshine fraction. Empirical correlations are also developed to establish a relationship between the monthly average daily diffuse fraction or cloudness index (K d ) and monthly average daily diffuse coefficient (K dd ) with the monthly average daily clearness index (K T ) and monthly average daily sunshine fraction (S/S o ) for the three big cities by population in Turkey (Istanbul, Ankara and Izmir). Although the global solar radiation on a horizontal surface and sunshine duration has been measured by the Turkish State Meteorological Service (STMS) over all country since 1964, the diffuse solar radiation has not been measured. The eight new models for estimating the monthly average daily diffuse solar radiation on a horizontal surface in three big cites are validated, and thus, the most accurate model is selected for guiding future projects. The new models are then compared with the 32 models available in the

Symanzik approach in modeling of bound states of Dirac particle in singular background

Directory of Open Access Journals (Sweden)

Pismak Yu. M.

2017-01-01

Full Text Available In the model of interaction of spinor field with homogeneous isotropic material plane constructed in framework of Symanzik approach, the bound states are studied. For localized near plane Dirac particle the expression for current, charge and density are presented. For bound state with massless dispersion law the current, charge and density are calculated for simplified model with 2 parameter exactly.The model can find application to a wide class of phenomena arising by the interaction of fields of quantum electrodynamics with two-dimensional materials.

Use and abuse of diffusion

International Nuclear Information System (INIS)

Kwiotek, A.; Grzywna, Z.J.

2005-01-01

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

Asymmetric diffusion model for oblique-incidence reflectometry

Institute of Scientific and Technical Information of China (English)

Yaqin Chen; Liji Cao; Liqun Sun

2011-01-01

A diffusion theory model induced by a line source distribution is presented for oblique-incidence reflectom-etry. By fitting to this asymmetric diffusion model, the absorption and reduced scattering coefficients μa and μ's of the turbid medium can both be determined with accuracy of 10% from the absolute profile of the diffuse reflectance in the incident plane at the negative position -1.5 transport mean free path (mfp') away from the incident point; particularly, μ's can be estimated from the data at positive positions within 0-1.0 mfp' with 10% accuracy. The method is verified by Monte Carlo simulations and experimentally tested on a phantom.%A diffusion theory model induced by a line source distribution is presented for oblique-incidence reflectometry.By fitting to this asymmetric diffusion model,the absorption and reduced scattering coefficients μa and μ's of the turbid medium can both be determined with accuracy of 10％ from the absolute profile of the diffuse reflectance in the incident plane at the negative position -1.5 transport mean free path (mfp')away from the incident point;particularly,μ's can be estimated from the data at positive positions within 0-1.0 mfp' with 10％ accuracy.The method is verified by Monte Carlo simulations and experimentally tested on a phantom.Knowledge about the optical properties,including the absorption coefficient (μa) and the reduced scattering coefficient (μ's =μs(1-g)),where μs is the scattering coefficient and g is the anisotropy factor of scattering,of biological tissues plays an important role for optical therapeutic and diagnostic techniques in medicine.

Modeling 2D and 3D diffusion.

Science.gov (United States)

Saxton, Michael J

2007-01-01

Modeling obstructed diffusion is essential to the understanding of diffusion-mediated processes in the crowded cellular environment. Simple Monte Carlo techniques for modeling obstructed random walks are explained and related to Brownian dynamics and more complicated Monte Carlo methods. Random number generation is reviewed in the context of random walk simulations. Programming techniques and event-driven algorithms are discussed as ways to speed simulations.

Asymptotic solutions of diffusion models for risk reserves

Directory of Open Access Journals (Sweden)

S. Shao

2003-01-01

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

How to approximate the heat equation with Neumann boundary conditions by nonlocal diffusion problems

OpenAIRE

Cortazar, C.; Elgueta, M.; Rossi, J. D.; Wolanski, N.

2006-01-01

We present a model for nonlocal diffusion with Neumann boundary conditions in a bounded smooth domain prescribing the flux through the boundary. We study the limit of this family of nonlocal diffusion operators when a rescaling parameter related to the kernel of the nonlocal operator goes to zero. We prove that the solutions of this family of problems converge to a solution of the heat equation with Neumann boundary conditions.

Reflector modelization for neutronic diffusion and parameters identification

International Nuclear Information System (INIS)

Argaud, J.P.

1993-04-01

Physical parameters of neutronic diffusion equations can be adjusted to decrease calculations-measurements errors. The reflector being always difficult to modelize, we choose to elaborate a new reflector model and to use the parameters of this model as adjustment coefficients in the identification procedure. Using theoretical results, and also the physical behaviour of neutronic flux solutions, the reflector model consists then in its replacement by boundary conditions for the diffusion equations on the core only. This theoretical result of non-local operator relations leads then to some discrete approximations by taking into account the multiscaled behaviour, on the core-reflector interface, of neutronic diffusion solutions. The resulting model of this approach is then compared with previous reflector modelizations, and first results indicate that this new model gives the same representation of reflector for the core than previous. (author). 12 refs

Thermal diffusivity and butterfly velocity in anisotropic Q-lattice models

Science.gov (United States)

Jeong, Hyun-Sik; Ahn, Yongjun; Ahn, Dujin; Niu, Chao; Li, Wei-Jia; Kim, Keun-Young

2018-01-01

We study a relation between the thermal diffusivity ( D T ) and two quantum chaotic properties, Lyapunov time (τ L ) and butterfly velocity ( v B ) in strongly correlated systems by using a holographic method. Recently, it was shown that E_i:={D}_{T,i}/({v}{^{B,i}}^2{τ}_L)(i=x,y) is universal in the sense that it is determined only by some scaling exponents of the IR metric in the low temperature limit regardless of the matter fields and ultraviolet data. Inspired by this observation, by analyzing the anisotropic IR scaling geometry carefully, we find the concrete expressions for E_i in terms of the critical dynamical exponents z i in each direction, E_i={z}_i/2({z}_i-1) . Furthermore, we find the lower bound of E_i is always 1 /2, which is not affected by anisotropy, contrary to the η/s case. However, there may be an upper bound determined by given fixed anisotropy.

Wind Power in Europe. A Simultaneous Innovation-Diffusion Model

International Nuclear Information System (INIS)

Soederholm, P.; Klaassen, G.

2007-01-01

The purpose of this paper is to provide a quantitative analysis of innovation and diffusion in the European wind power sector. We derive a simultaneous model of wind power innovation and diffusion, which combines a rational choice model of technological diffusion and a learning curve model of dynamic cost reductions. These models are estimated using pooled annual time series data for four European countries (Denmark, Germany, Spain and the United Kingdom) over the time period 1986-2000. The empirical results indicate that reductions in investment costs have been important determinants of increased diffusion of wind power, and these cost reductions can in turn be explained by learning activities and public R and D support. Feed-in tariffs also play an important role in the innovation and diffusion processes. The higher the feed-in price the higher, ceteris paribus, the rate of diffusion, and we present some preliminary empirical support for the notion that the impact on diffusion of a marginal increase in the feed-in tariff will differ depending on the support system used. High feed-in tariffs, though, also have a negative effect on cost reductions as they induce wind generators to choose high-cost sites and provide fewer incentives for cost cuts. This illustrates the importance of designing an efficient wind energy support system, which not only promotes diffusion but also provides continuous incentives for cost-reducing innovations

Diffusion of hydrous species in model basaltic melt

Science.gov (United States)

Zhang, Li; Guo, Xuan; Wang, Qinxia; Ding, Jiale; Ni, Huaiwei

2017-10-01

Water diffusion in Fe-free model basaltic melt with up to 2 wt% H2O was investigated at 1658-1846 K and 1 GPa in piston-cylinder apparatus using both hydration and diffusion couple techniques. Diffusion profiles measured by FTIR are consistent with a model in which both molecular H2O (H2Om) and hydroxyl (OH) contribute to water diffusion. OH diffusivity is roughly 13% of H2Om diffusivity, showing little dependence on temperature or water concentration. Water diffusion is dominated by the motion of OH until total H2O (H2Ot) concentration reaches 1 wt%. The dependence of apparent H2Ot diffusivity on H2Ot concentration appears to be overestimated by a previous study on MORB melt, but H2Ot diffusivity at 1 wt% H2Ot in basaltic melt is still greater than those in rhyolitic to andesitic melts. The appreciable contribution of OH to water diffusion in basaltic melt can be explained by enhanced mobility of OH, probably associated with the development of free hydroxyl bonded with network-modifying cations, as well as higher OH concentration. Calculation based on the Nernst-Einstein equation demonstrates that OH may serve as an effective charge carrier in hydrous basaltic melt, which could partly account for the previously observed strong influence of water on electrical conductivity of basaltic melt.

Bioavailability of organically bound Fe to model phytoplankton of the Southern Ocean

Directory of Open Access Journals (Sweden)

C. S. Hassler

2009-10-01

Full Text Available Iron (Fe is known to be mostly bound to organic ligands and to limit primary productivity in the Southern Ocean. It is thus important to investigate the bioavailability of organically bound Fe. In this study, we used four phytoplankton species of the Southern Ocean (Phaeocystis sp., Chaetoceros sp., Fragilariopsis kerguelensis and Thalassiosira antarctica Comber to measure the influence of various organic ligands on Fe solubility and bioavailability. Short-term uptake Fe:C ratios were inversely related to the surface area to volume ratios of the phytoplankton. The ratio of extracellular to intracellular Fe is used to discuss the relative importance of diffusive supply and uptake to control Fe bioavailability. The effect of excess organic ligands on Fe bioavailability cannot be solely explained by their effect on Fe solubility. For most strains studied, the bioavailability of Fe can be enhanced relative to inorganic Fe in the presence of porphyrin, catecholate siderophore and saccharides whereas it was decreased in presence of hydroxamate siderophore and organic amine. For Thalassiosira, iron bioavailability was not affected by the presence of porphyrin, catecholate siderophore and saccharides. The enhancement of Fe bioavailability in presence of saccharides is presented as the result from both the formation of bioavailable (or chemically labile organic form of Fe and the stabilisation of Fe within the dissolved phase. Given the ubiquitous presence of saccharides in the ocean, these compounds might represent an important factor to control the basal level of soluble and bioavailable Fe. Results show that the use of model phytoplankton is promising to improve mechanistic understanding of Fe bioavailability and primary productivity in HNLC regions of the ocean.

Comparison of non-Gaussian and Gaussian diffusion models of diffusion weighted imaging of rectal cancer at 3.0 T MRI.

Science.gov (United States)

Zhang, Guangwen; Wang, Shuangshuang; Wen, Didi; Zhang, Jing; Wei, Xiaocheng; Ma, Wanling; Zhao, Weiwei; Wang, Mian; Wu, Guosheng; Zhang, Jinsong

2016-12-09

Water molecular diffusion in vivo tissue is much more complicated. We aimed to compare non-Gaussian diffusion models of diffusion-weighted imaging (DWI) including intra-voxel incoherent motion (IVIM), stretched-exponential model (SEM) and Gaussian diffusion model at 3.0 T MRI in patients with rectal cancer, and to determine the optimal model for investigating the water diffusion properties and characterization of rectal carcinoma. Fifty-nine consecutive patients with pathologically confirmed rectal adenocarcinoma underwent DWI with 16 b-values at a 3.0 T MRI system. DWI signals were fitted to the mono-exponential and non-Gaussian diffusion models (IVIM-mono, IVIM-bi and SEM) on primary tumor and adjacent normal rectal tissue. Parameters of standard apparent diffusion coefficient (ADC), slow- and fast-ADC, fraction of fast ADC (f), α value and distributed diffusion coefficient (DDC) were generated and compared between the tumor and normal tissues. The SEM exhibited the best fitting results of actual DWI signal in rectal cancer and the normal rectal wall (R 2  = 0.998, 0.999 respectively). The DDC achieved relatively high area under the curve (AUC = 0.980) in differentiating tumor from normal rectal wall. Non-Gaussian diffusion models could assess tissue properties more accurately than the ADC derived Gaussian diffusion model. SEM may be used as a potential optimal model for characterization of rectal cancer.

Turbulent vertical diffusivity in the sub-tropical stratosphere

Directory of Open Access Journals (Sweden)

I. Pisso

2008-02-01

Full Text Available Vertical (cross-isentropic mixing is produced by small-scale turbulent processes which are still poorly understood and paramaterized in numerical models. In this work we provide estimates of local equivalent diffusion in the lower stratosphere by comparing balloon borne high-resolution measurements of chemical tracers with reconstructed mixing ratio from large ensembles of random Lagrangian backward trajectories using European Centre for Medium-range Weather Forecasts analysed winds and a chemistry-transport model (REPROBUS. We focus on a case study in subtropical latitudes using data from HIBISCUS campaign. An upper bound on the vertical diffusivity is found in this case study to be of the order of 0.5 m² s⁻¹ in the subtropical region, which is larger than the estimates at higher latitudes. The relation between diffusion and dispersion is studied by estimating Lyapunov exponents and studying their variation according to the presence of active dynamical structures.

Modeling diffuse phosphorus emissions to assist in best management practice designing

Science.gov (United States)

Kovacs, Adam; Zessner, Matthias; Honti, Mark; Clement, Adrienne

2010-05-01

A diffuse emission modeling tool has been developed, which is appropriate to support decision-making in watershed management. The PhosFate (Phosphorus Fate) tool allows planning best management practices (BMPs) in catchments and simulating their possible impacts on the phosphorus (P) loads. PhosFate is a simple fate model to calculate diffuse P emissions and their transport within a catchment. The model is a semi-empirical, catchment scale, distributed parameter and long-term (annual) average model. It has two main parts: (a) the emission and (b) the transport model. The main input data of the model are digital maps (elevation, soil types and landuse categories), statistical data (crop yields, animal numbers, fertilizer amounts and precipitation distribution) and point information (precipitation, meteorology, soil humus content, point source emissions and reservoir data). The emission model calculates the diffuse P emissions at their source. It computes the basic elements of the hydrology as well as the soil loss. The model determines the accumulated P surplus of the topsoil and distinguishes the dissolved and the particulate P forms. Emissions are calculated according to the different pathways (surface runoff, erosion and leaching). The main outputs are the spatial distribution (cell values) of the runoff components, the soil loss and the P emissions within the catchment. The transport model joins the independent cells based on the flow tree and it follows the further fate of emitted P from each cell to the catchment outlets. Surface runoff and P fluxes are accumulated along the tree and the field and in-stream retention of the particulate forms are computed. In case of base flow and subsurface P loads only the channel transport is taken into account due to the less known hydrogeological conditions. During the channel transport, point sources and reservoirs are also considered. Main results of the transport algorithm are the discharge, dissolved and sediment-bounded

Matrix diffusion model. In situ tests using natural analogues

Energy Technology Data Exchange (ETDEWEB)

Rasilainen, K. [VTT Energy, Espoo (Finland)

1997-11-01

Matrix diffusion is an important retarding and dispersing mechanism for substances carried by groundwater in fractured bedrock. Natural analogues provide, unlike laboratory or field experiments, a possibility to test the model of matrix diffusion in situ over long periods of time. This thesis documents quantitative model tests against in situ observations, done to support modelling of matrix diffusion in performance assessments of nuclear waste repositories. 98 refs. The thesis includes also eight previous publications by author.

Leader's opinion priority bounded confidence model for network opinion evolution

Science.gov (United States)

Zhu, Meixia; Xie, Guangqiang

2017-08-01

Aiming at the weight of trust someone given to participate in the interaction in Hegselmann-Krause's type consensus model is the same and virtual social networks among individuals with different level of education, personal influence, etc. For differences between agents, a novelty bounded confidence model was proposed with leader's opinion considered priority. Interaction neighbors can be divided into two kinds. The first kind is made up of "opinion leaders" group, another kind is made up of ordinary people. For different groups to give different weights of trust. We also analyzed the related characteristics of the new model under the symmetrical bounded confidence parameters and combined with the classical HK model were analyzed. Simulation experiment results show that no matter the network size and initial view is subject to uniform distribution or discrete distribution. We can control the "opinion-leader" good change the number of views and values, and even improve the convergence speed. Experiment also found that the choice of "opinion leaders" is not the more the better, the model well explain how the "opinion leader" in the process of the evolution of the public opinion play the role of the leader.

Catchment Models and Management Tools for diffuse Contaminants (Sediment, Phosphorus and Pesticides): DIFFUSE Project

Science.gov (United States)

Mockler, Eva; Reaney, Simeon; Mellander, Per-Erik; Wade, Andrew; Collins, Adrian; Arheimer, Berit; Bruen, Michael

2017-04-01

The agricultural sector is the most common suspected source of nutrient pollution in Irish rivers. However, it is also often the most difficult source to characterise due to its predominantly diffuse nature. Particulate phosphorus in surface water and dissolved phosphorus in groundwater are of particular concern in Irish water bodies. Hence the further development of models and indices to assess diffuse sources of contaminants are required for use by the Irish Environmental Protection Agency (EPA) to provide support for river basin planning. Understanding connectivity in the landscape is a vital component of characterising the source-pathway-receptor relationships for water-borne contaminants, and hence is a priority in this research. The DIFFUSE Project will focus on connectivity modelling and incorporation of connectivity into sediment, nutrient and pesticide risk mapping. The Irish approach to understanding and managing natural water bodies has developed substantially in recent years assisted by outputs from multiple research projects, including modelling and analysis tools developed during the Pathways and CatchmentTools projects. These include the Pollution Impact Potential (PIP) maps, which are an example of research output that is used by the EPA to support catchment management. The PIP maps integrate an understanding of the pollution pressures and mobilisation pathways and, using the source-pathways-receptor model, provide a scientific basis for evaluation of mitigation measures. These maps indicate the potential risk posed by nitrate and phosphate from diffuse agricultural sources to surface and groundwater receptors and delineate critical source areas (CSAs) as a means of facilitating the targeting of mitigation measures. Building on this previous research, the DIFFUSE Project will develop revised and new catchment managements tools focused on connectivity, sediment, phosphorus and pesticides. The DIFFUSE project will strive to identify the state

Metabolism of organically bound tritium

International Nuclear Information System (INIS)

Travis, C.C.

1984-01-01

The classic methodology for estimating dose to man from environmental tritium ignores the fact that organically bound tritium in foodstuffs may be directly assimilated in the bound compartment of tissues without previous oxidation. We propose a four-compartment model consisting of a free body water compartment, two organic compartments, and a small, rapidly metabolizing compartment. The utility of this model lies in the ability to input organically bound tritium in foodstuffs directly into the organic compartments of the model. We found that organically bound tritium in foodstuffs can increase cumulative total body dose by a factor of 1.7 to 4.5 times the free body water dose alone, depending on the bound-to-loose ratio of tritium in the diet. Model predictions are compared with empirical measurements of tritium in human urine and tissue samples, and appear to be in close agreement. 10 references, 4 figures, 3 tables

Bounded Model Checking and Inductive Verification of Hybrid Discrete-Continuous Systems

DEFF Research Database (Denmark)

Becker, Bernd; Behle, Markus; Eisenbrand, Fritz

2004-01-01

We present a concept to signicantly advance the state of the art for bounded model checking (BMC) and inductive verication (IV) of hybrid discrete-continuous systems. Our approach combines the expertise of partners coming from dierent domains, like hybrid systems modeling and digital circuit veri...

Boson bound states in the β-Fermi–Pasta–Ulam model

Indian Academy of Sciences (India)

The bound states of four bosons in the quantum -Fermi–Pasta–Ulam model are investigated and some interesting results are presented using the number conserving approximation combined ... Proceedings of the International Workshop/Conference on Computational Condensed Matter Physics and Materials Science

Behavioral Consistency of C and Verilog Programs Using Bounded Model Checking

National Research Council Canada - National Science Library

Clarke, Edmund; Kroening, Daniel; Yorav, Karen

2003-01-01

.... We describe experimental results on various reactive present an algorithm that checks behavioral consistency between an ANSI-C program and a circuit given in Verilog using Bounded Model Checking...

The EZ diffusion model provides a powerful test of simple empirical effects.

Science.gov (United States)

van Ravenzwaaij, Don; Donkin, Chris; Vandekerckhove, Joachim

2017-04-01

Over the last four decades, sequential accumulation models for choice response times have spread through cognitive psychology like wildfire. The most popular style of accumulator model is the diffusion model (Ratcliff Psychological Review, 85, 59-108, 1978), which has been shown to account for data from a wide range of paradigms, including perceptual discrimination, letter identification, lexical decision, recognition memory, and signal detection. Since its original inception, the model has become increasingly complex in order to account for subtle, but reliable, data patterns. The additional complexity of the diffusion model renders it a tool that is only for experts. In response, Wagenmakers et al. (Psychonomic Bulletin & Review, 14, 3-22, 2007) proposed that researchers could use a more basic version of the diffusion model, the EZ diffusion. Here, we simulate experimental effects on data generated from the full diffusion model and compare the power of the full diffusion model and EZ diffusion to detect those effects. We show that the EZ diffusion model, by virtue of its relative simplicity, will be sometimes better able to detect experimental effects than the data-generating full diffusion model.

Turbulent eddy diffusion models in exposure assessment - Determination of the eddy diffusion coefficient.

Science.gov (United States)

Shao, Yuan; Ramachandran, Sandhya; Arnold, Susan; Ramachandran, Gurumurthy

2017-03-01

The use of the turbulent eddy diffusion model and its variants in exposure assessment is limited due to the lack of knowledge regarding the isotropic eddy diffusion coefficient, D T . But some studies have suggested a possible relationship between D T and the air changes per hour (ACH) through a room. The main goal of this study was to accurately estimate D T for a range of ACH values by minimizing the difference between the concentrations measured and predicted by eddy diffusion model. We constructed an experimental chamber with a spatial concentration gradient away from the contaminant source, and conducted 27 3-hr long experiments using toluene and acetone under different air flow conditions (0.43-2.89 ACHs). An eddy diffusion model accounting for chamber boundary, general ventilation, and advection was developed. A mathematical expression for the slope based on the geometrical parameters of the ventilation system was also derived. There is a strong linear relationship between D T and ACH, providing a surrogate parameter for estimating D T in real-life settings. For the first time, a mathematical expression for the relationship between D T and ACH has been derived that also corrects for non-ideal conditions, and the calculated value of the slope between these two parameters is very close to the experimentally determined value. The values of D T obtained from the experiments are generally consistent with values reported in the literature. They are also independent of averaging time of measurements, allowing for comparison of values obtained from different measurement settings. These findings make the use of turbulent eddy diffusion models for exposure assessment in workplace/indoor environments more practical.

Bounded Gaussian process regression

DEFF Research Database (Denmark)

Jensen, Bjørn Sand; Nielsen, Jens Brehm; Larsen, Jan

2013-01-01

We extend the Gaussian process (GP) framework for bounded regression by introducing two bounded likelihood functions that model the noise on the dependent variable explicitly. This is fundamentally different from the implicit noise assumption in the previously suggested warped GP framework. We...... with the proposed explicit noise-model extension....

Weak diffusion limits of dynamic conditional correlation models

DEFF Research Database (Denmark)

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

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

SC lipid model membranes designed for studying impact of ceramide species on drug diffusion and permeation--part II: diffusion and permeation of model drugs.

Science.gov (United States)

Ochalek, M; Podhaisky, H; Ruettinger, H-H; Wohlrab, J; Neubert, R H H

2012-10-01

The barrier function of two quaternary stratum corneum (SC) lipid model membranes, which were previously characterized with regard to the lipid organization, was investigated based on diffusion studies of model drugs with varying lipophilicities. Diffusion experiments of a hydrophilic drug, urea, and more lipophilic drugs than urea (i.e. caffeine, diclofenac sodium) were conducted using Franz-type diffusion cells. The amount of permeated drug was analyzed using either HPLC or CE technique. The subjects of interest in the present study were the investigation of the influence of physicochemical properties of model drugs on their diffusion and permeation through SC lipid model membranes, as well as the study of the impact of the constituents of these artificial systems (particularly ceramide species) on their barrier properties. The diffusion through both SC lipid model membranes and the human SC of the most hydrophilic model drug, urea, was faster than the permeation of the more lipophilic drugs. The slowest rate of permeation through SC lipid systems occurred in the case of caffeine. The composition of SC lipid model membranes has a significant impact on their barrier function. Model drugs diffused and permeated faster through Membrane II (presence of Cer [EOS]). In terms of the barrier properties, Membrane II is much more similar to the human SC than Membrane I. Copyright © 2012 Elsevier B.V. All rights reserved.

Homogenization of non-uniformly bounded periodic diffusion energies in dimension two

International Nuclear Information System (INIS)

Braides, Andrea; Briane, Marc; Casado-Díaz, Juan

2009-01-01

This paper deals with the homogenization of two-dimensional oscillating convex functionals, the densities of which are equicoercive but not uniformly bounded from above. Using a uniform-convergence result for the minimizers, which holds for this type of scalar problems in dimension two, we prove in particular that the limit energy is local and recover the validity of the analogue of the well-known periodic homogenization formula in this degenerate case. However, in the present context the classical argument leading to integral representation based on the use of cut-off functions is useless due to the unboundedness of the densities. In its place we build sequences with bounded energy, which converge uniformly to piecewise-affine functions, taking point-wise extrema of recovery sequences for affine functions

Stochastic models for surface diffusion of molecules

Energy Technology Data Exchange (ETDEWEB)

Shea, Patrick, E-mail: patrick.shea@dal.ca; Kreuzer, Hans Jürgen [Department of Physics and Atmospheric Science, Dalhousie University, Halifax, Nova Scotia B3H 3J5 (Canada)

2014-07-28

We derive a stochastic model for the surface diffusion of molecules, starting from the classical equations of motion for an N-atom molecule on a surface. The equation of motion becomes a generalized Langevin equation for the center of mass of the molecule, with a non-Markovian friction kernel. In the Markov approximation, a standard Langevin equation is recovered, and the effect of the molecular vibrations on the diffusion is seen to lead to an increase in the friction for center of mass motion. This effective friction has a simple form that depends on the curvature of the lowest energy diffusion path in the 3N-dimensional coordinate space. We also find that so long as the intramolecular forces are sufficiently strong, memory effects are usually not significant and the Markov approximation can be employed, resulting in a simple one-dimensional model that can account for the effect of the dynamics of the molecular vibrations on the diffusive motion.

A consistent transported PDF model for treating differential molecular diffusion

Science.gov (United States)

Wang, Haifeng; Zhang, Pei

2016-11-01

Differential molecular diffusion is a fundamentally significant phenomenon in all multi-component turbulent reacting or non-reacting flows caused by the different rates of molecular diffusion of energy and species concentrations. In the transported probability density function (PDF) method, the differential molecular diffusion can be treated by using a mean drift model developed by McDermott and Pope. This model correctly accounts for the differential molecular diffusion in the scalar mean transport and yields a correct DNS limit of the scalar variance production. The model, however, misses the molecular diffusion term in the scalar variance transport equation, which yields an inconsistent prediction of the scalar variance in the transported PDF method. In this work, a new model is introduced to remedy this problem that can yield a consistent scalar variance prediction. The model formulation along with its numerical implementation is discussed, and the model validation is conducted in a turbulent mixing layer problem.

Strongest model-independent bound on the lifetime of Dark Matter

CERN Document Server

Audren, Benjamin; Mangano, Gianpiero; Serpico, Pasquale Dario; Tram, Thomas

2014-01-01

Dark Matter is essential for structure formation in the late Universe so it must be stable on cosmological time scales. But how stable exactly? Only assuming decays into relativistic particles, we report an otherwise model independent bound on the lifetime of Dark Matter using current cosmological data. Since these decays affect only the low-$\\ell$ multipoles of the CMB, the Dark Matter lifetime is expected to correlate with the tensor-to-scalar ratio $r$ as well as curvature $\\Omega_k$. We consider two models, including $r$ and $r+\\Omega_k$ respectively, versus data from Planck, WMAP, WiggleZ and Baryon Acoustic Oscillations, with or without the BICEP2 data (if interpreted in terms of primordial gravitational waves). This results in a lower bound on the lifetime of CDM given by 160Gyr (without BICEP2) or 200Gyr (with BICEP2) at 95% confidence level.

Diffusion in condensed matter methods, materials, models

CERN Document Server

Kärger, Jörg

2005-01-01

Diffusion as the process of particle transport due to stochastic movement is a phenomenon of crucial relevance for a large variety of processes and materials. This comprehensive, handbook- style survey of diffusion in condensed matter gives detailed insight into diffusion as the process of particle transport due to stochastic movement. Leading experts in the field describe in 23 chapters the different aspects of diffusion, covering microscopic and macroscopic experimental techniques and exemplary results for various classes of solids, liquids and interfaces as well as several theoretical concepts and models. Students and scientists in physics, chemistry, materials science, and biology will benefit from this detailed compilation.

Anomalous diffusion in a lattice-gas wind-tree model

International Nuclear Information System (INIS)

Kong, X.P.; Cohen, E.G.D.

1989-01-01

Two new strictly deterministic lattice-gas automata derived from Ehrenfest's wind-tree model are studied. While in one model normal diffusion occurs, the other model exhibits abnormal diffusion in that the distribution function of the displacements of the wind particle is non-Gaussian, but its second moment, the mean-square displacement, is proportional to the time, so that a diffusion coefficient can be defined. A connection with the percolation problem and a self-avoiding random walk for the case in which the lattice is completely covered with trees is discussed

Modeling bioluminescent photon transport in tissue based on Radiosity-diffusion model

Science.gov (United States)

Sun, Li; Wang, Pu; Tian, Jie; Zhang, Bo; Han, Dong; Yang, Xin

2010-03-01

Bioluminescence tomography (BLT) is one of the most important non-invasive optical molecular imaging modalities. The model for the bioluminescent photon propagation plays a significant role in the bioluminescence tomography study. Due to the high computational efficiency, diffusion approximation (DA) is generally applied in the bioluminescence tomography. But the diffusion equation is valid only in highly scattering and weakly absorbing regions and fails in non-scattering or low-scattering tissues, such as a cyst in the breast, the cerebrospinal fluid (CSF) layer of the brain and synovial fluid layer in the joints. A hybrid Radiosity-diffusion model is proposed for dealing with the non-scattering regions within diffusing domains in this paper. This hybrid method incorporates a priori information of the geometry of non-scattering regions, which can be acquired by magnetic resonance imaging (MRI) or x-ray computed tomography (CT). Then the model is implemented using a finite element method (FEM) to ensure the high computational efficiency. Finally, we demonstrate that the method is comparable with Mont Carlo (MC) method which is regarded as a 'gold standard' for photon transportation simulation.

Upper bounds on superpartner masses from upper bounds on the Higgs boson mass.

Science.gov (United States)

Cabrera, M E; Casas, J A; Delgado, A

2012-01-13

The LHC is putting bounds on the Higgs boson mass. In this Letter we use those bounds to constrain the minimal supersymmetric standard model (MSSM) parameter space using the fact that, in supersymmetry, the Higgs mass is a function of the masses of sparticles, and therefore an upper bound on the Higgs mass translates into an upper bound for the masses for superpartners. We show that, although current bounds do not constrain the MSSM parameter space from above, once the Higgs mass bound improves big regions of this parameter space will be excluded, putting upper bounds on supersymmetry (SUSY) masses. On the other hand, for the case of split-SUSY we show that, for moderate or large tanβ, the present bounds on the Higgs mass imply that the common mass for scalars cannot be greater than 10(11)  GeV. We show how these bounds will evolve as LHC continues to improve the limits on the Higgs mass.

Radon diffusion through multilayer earthen covers: models and simulations

International Nuclear Information System (INIS)

Mayer, D.W.; Oster, C.A.; Nelson, R.W.; Gee, G.W.

1981-09-01

A capability to model and analyze the fundamental interactions that influence the diffusion of radon gas through uranium mill tailings and cover systems has been investigated. The purpose of this study is to develop the theoretical basis for modeling radon diffusion and to develop an understanding of the fundamental interactions that influence radon diffusion. This study develops the theoretical basis for modeling radon diffusion in one, two and three dimensions. The theory has been incorporated into three computer models that are used to analyze several tailings and cover configurations. This report contains a discussion of the theoretical basis for modeling radon diffusion, a discussion of the computer models used to analyze uranium mill tailings and multilayered cover systems, and presents the results that have been obtained. The study has been conducted using a four-phase approach. The first phase develops the solution to the steady-state radon-diffusion equation in one-dimensieered barriers; disposal charge analysis; analysis of spent fuel policy implementation; spent f water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Uranium concentrations in the sediments which were above detection limits ranged from 0.10 t 51.2 ppM. The mean of the logarithms of the uranium concentrations was 0.53. A group of high uranium concentrations occurs near the junctions of quadrangles AB, AC, BB, a 200 mK. In case 2), x-ray studies of isotopic phase separation in 3 He-- 4 He bcc solids were carried out by B. A. Fraass

Macromolecular diffusion in crowded media beyond the hard-sphere model.

Science.gov (United States)

Blanco, Pablo M; Garcés, Josep Lluís; Madurga, Sergio; Mas, Francesc

2018-04-25

The effect of macromolecular crowding on diffusion beyond the hard-core sphere model is studied. A new coarse-grained model is presented, the Chain Entanglement Softened Potential (CESP) model, which takes into account the macromolecular flexibility and chain entanglement. The CESP model uses a shoulder-shaped interaction potential that is implemented in the Brownian Dynamics (BD) computations. The interaction potential contains only one parameter associated with the chain entanglement energetic cost (Ur). The hydrodynamic interactions are included in the BD computations via Tokuyama mean-field equations. The model is used to analyze the diffusion of a streptavidin protein among different sized dextran obstacles. For this system, Ur is obtained by fitting the streptavidin experimental long-time diffusion coefficient Dlongversus the macromolecular concentration for D50 (indicating their molecular weight in kg mol-1) dextran obstacles. The obtained Dlong values show better quantitative agreement with experiments than those obtained with hard-core spheres. Moreover, once parametrized, the CESP model is also able to quantitatively predict Dlong and the anomalous exponent (α) for streptavidin diffusion among D10, D400 and D700 dextran obstacles. Dlong, the short-time diffusion coefficient (Dshort) and α are obtained from the BD simulations by using a new empirical expression, able to describe the full temporal evolution of the diffusion coefficient.

Diffusion models in metamorphic thermo chronology: philosophy and methods

International Nuclear Information System (INIS)

Munha, Jose Manuel; Tassinari, Colombo Celso Gaeta

1999-01-01

Understanding kinetics of diffusion is of major importance to the interpretation of isotopic ages in metamorphic rocks. This paper provides a review of concepts and methodologies involved on the various diffusion models that can be applied to radiogenic systems in cooling rocks. The central concept of closure temperature is critically discussed and quantitative estimates for the various diffusion models are evaluated, in order to illustrate the controlling factors and the limits of their practical application. (author)

Preisach hysteresis model for non-linear 2D heat diffusion

International Nuclear Information System (INIS)

Jancskar, Ildiko; Ivanyi, Amalia

2006-01-01

This paper analyzes a non-linear heat diffusion process when the thermal diffusivity behaviour is a hysteretic function of the temperature. Modelling this temperature dependence, the discrete Preisach algorithm as general hysteresis model has been integrated into a non-linear multigrid solver. The hysteretic diffusion shows a heating-cooling asymmetry in character. The presented type of hysteresis speeds up the thermal processes in the modelled systems by a very interesting non-linear way

Effect of measurement on the ballistic-diffusive transition in turbid media.

Science.gov (United States)

Glasser, Ziv; Yaroshevsky, Andre; Barak, Bavat; Granot, Er'el; Sternklar, Shmuel

2013-10-01

The dependence of the transition between the ballistic and the diffusive regimes of turbid media on the experimental solid angle of the detection system is analyzed theoretically and experimentally. A simple model is developed which shows the significance of experimental conditions on the location of the ballistic-diffusive transition. It is demonstrated that decreasing the solid angle expands the ballistic regime; however, this benefit is bounded by the initial Gaussian beam diffraction. In addition, choosing the appropriate wavelength according to the model's principles provides another means of expanding the ballistic regime. Consequently, by optimizing the experimental conditions, it should be possible to extract the ballistic image of a tissue with a thickness of 1 cm.

Pricing Participating Products under a Generalized Jump-Diffusion Model

Directory of Open Access Journals (Sweden)

Tak Kuen Siu

2008-01-01

Full Text Available We propose a model for valuing participating life insurance products under a generalized jump-diffusion model with a Markov-switching compensator. It also nests a number of important and popular models in finance, including the classes of jump-diffusion models and Markovian regime-switching models. The Esscher transform is employed to determine an equivalent martingale measure. Simulation experiments are conducted to illustrate the practical implementation of the model and to highlight some features that can be obtained from our model.

Efficient Multi-Valued Bounded Model Checking for LTL over Quasi-Boolean Algebras

Science.gov (United States)

Andrade, Jefferson O.; Kameyama, Yukiyoshi

Multi-valued Model Checking extends classical, two-valued model checking to multi-valued logic such as Quasi-Boolean logic. The added expressivity is useful in dealing with such concepts as incompleteness and uncertainty in target systems, while it comes with the cost of time and space. Chechik and others proposed an efficient reduction from multi-valued model checking problems to two-valued ones, but to the authors' knowledge, no study was done for multi-valued bounded model checking. In this paper, we propose a novel, efficient algorithm for multi-valued bounded model checking. A notable feature of our algorithm is that it is not based on reduction of multi-values into two-values; instead, it generates a single formula which represents multi-valuedness by a suitable encoding, and asks a standard SAT solver to check its satisfiability. Our experimental results show a significant improvement in the number of variables and clauses and also in execution time compared with the reduction-based one.

Quantum-corrected drift-diffusion models for transport in semiconductor devices

International Nuclear Information System (INIS)

De Falco, Carlo; Gatti, Emilio; Lacaita, Andrea L.; Sacco, Riccardo

2005-01-01

In this paper, we propose a unified framework for Quantum-corrected drift-diffusion (QCDD) models in nanoscale semiconductor device simulation. QCDD models are presented as a suitable generalization of the classical drift-diffusion (DD) system, each particular model being identified by the constitutive relation for the quantum-correction to the electric potential. We examine two special, and relevant, examples of QCDD models; the first one is the modified DD model named Schroedinger-Poisson-drift-diffusion, and the second one is the quantum-drift-diffusion (QDD) model. For the decoupled solution of the two models, we introduce a functional iteration technique that extends the classical Gummel algorithm widely used in the iterative solution of the DD system. We discuss the finite element discretization of the various differential subsystems, with special emphasis on their stability properties, and illustrate the performance of the proposed algorithms and models on the numerical simulation of nanoscale devices in two spatial dimensions

Agent-based modelling of cholera diffusion

NARCIS (Netherlands)

Augustijn-Beckers, Petronella; Doldersum, Tom; Useya, Juliana; Augustijn, Dionysius C.M.

2016-01-01

This paper introduces a spatially explicit agent-based simulation model for micro-scale cholera diffusion. The model simulates both an environmental reservoir of naturally occurring V.cholerae bacteria and hyperinfectious V. cholerae. Objective of the research is to test if runoff from open refuse

Fuzzy upper bounds and their applications

Energy Technology Data Exchange (ETDEWEB)

Soleimani-damaneh, M. [Department of Mathematics, Faculty of Mathematical Science and Computer Engineering, Teacher Training University, 599 Taleghani Avenue, Tehran 15618 (Iran, Islamic Republic of)], E-mail: soleimani_d@yahoo.com

2008-04-15

This paper considers the concept of fuzzy upper bounds and provides some relevant applications. Considering a fuzzy DEA model, the existence of a fuzzy upper bound for the objective function of the model is shown and an effective approach to solve that model is introduced. Some dual interpretations are provided, which are useful for practical purposes. Applications of the concept of fuzzy upper bounds in two physical problems are pointed out.

Flux-limited diffusion models in radiation hydrodynamics

International Nuclear Information System (INIS)

Pomraning, G.C.; Szilard, R.H.

1993-01-01

The authors discuss certain flux-limited diffusion theories which approximately describe radiative transfer in the presence of steep spatial gradients. A new formulation is presented which generalizes a flux-limited description currently in widespread use for large radiation hydrodynamic calculations. This new formation allows more than one Case discrete mode to be described by a flux-limited diffusion equation. Such behavior is not extant in existing formulations. Numerical results predicted by these flux-limited diffusion models are presented for radiation penetration into an initially cold halfspace. 37 refs., 5 figs

Local Model Checking of Weighted CTL with Upper-Bound Constraints

DEFF Research Database (Denmark)

Jensen, Jonas Finnemann; Larsen, Kim Guldstrand; Srba, Jiri

2013-01-01

We present a symbolic extension of dependency graphs by Liu and Smolka in order to model-check weighted Kripke structures against the logic CTL with upper-bound weight constraints. Our extension introduces a new type of edges into dependency graphs and lifts the computation of fixed-points from...

Non-probabilistic solutions of imprecisely defined fractional-order diffusion equations

International Nuclear Information System (INIS)

Chakraverty, S.; Tapaswini, Smita

2014-01-01

The fractional diffusion equation is one of the most important partial differential equations (PDEs) to model problems in mathematical physics. These PDEs are more practical when those are combined with uncertainties. Accordingly, this paper investigates the numerical solution of a non-probabilistic viz. fuzzy fractional-order diffusion equation subjected to various external forces. A fuzzy diffusion equation having fractional order 0 < α ≤ 1 with fuzzy initial condition is taken into consideration. Fuzziness appearing in the initial conditions is modelled through convex normalized triangular and Gaussian fuzzy numbers. A new computational technique is proposed based on double parametric form of fuzzy numbers to handle the fuzzy fractional diffusion equation. Using the single parametric form of fuzzy numbers, the original fuzzy diffusion equation is converted first into an interval-based fuzzy differential equation. Next, this equation is transformed into crisp form by using the proposed double parametric form of fuzzy numbers. Finally, the same is solved by Adomian decomposition method (ADM) symbolically to obtain the uncertain bounds of the solution. Computed results are depicted in terms of plots. Results obtained by the proposed method are compared with the existing results in special cases. (general)

Establishing the existence of a distance-based upper bound for a fuzzy DEA model using duality

International Nuclear Information System (INIS)

Soleimani-damaneh, M.

2009-01-01

In a recent paper [Soleimani-damaneh M. Fuzzy upper bounds and their applications. Chaos, Solitons and Fractals 2008;36:217-25.], I established the existence of a distance-based fuzzy upper bound for the objective function of a fuzzy DEA model, using the properties of a discussed signed distance, and provided an effective approach to solve that model. In this paper a new dual-based proof for the existence of the above-mentioned upper bound is provided which gives a useful insight into the theory of fuzzy DEA.

Rapid innovation diffusion in social networks.

Science.gov (United States)

Kreindler, Gabriel E; Young, H Peyton

2014-07-22

Social and technological innovations often spread through social networks as people respond to what their neighbors are doing. Previous research has identified specific network structures, such as local clustering, that promote rapid diffusion. Here we derive bounds that are independent of network structure and size, such that diffusion is fast whenever the payoff gain from the innovation is sufficiently high and the agents' responses are sufficiently noisy. We also provide a simple method for computing an upper bound on the expected time it takes for the innovation to become established in any finite network. For example, if agents choose log-linear responses to what their neighbors are doing, it takes on average less than 80 revision periods for the innovation to diffuse widely in any network, provided that the error rate is at least 5% and the payoff gain (relative to the status quo) is at least 150%. Qualitatively similar results hold for other smoothed best-response functions and populations that experience heterogeneous payoff shocks.

Bag-model analyses of proton-antiproton scattering and atomic bound states

International Nuclear Information System (INIS)

Alberg, M.A.; Freedman, R.A.; Henley, E.M.; Hwang, W.P.; Seckel, D.; Wilets, L.

1983-01-01

We study proton-antiproton (pp-bar ) scattering using the static real potential of Bryan and Phillips outside a cutoff radius rsub0 and two different shapes for the imaginary potential inside a radius R*. These forms, motivated by bag models, are a one-gluon-annihilation potential and a simple geometric-overlap form. In both cases there are three adjustable parameters: the effective bag radius R*, the effective strong coupling constant αsubssup*, and rsub0. There is also a choice for the form of the real potential inside the cutoff radius rsub0. Analysis of the pp-bar scattering data in the laboratory-momentum region 0.4--0.7 GeV/c yields an effective nucleon bag radius R* in the range 0.6--1.1 fm, with the best fit obtained for R* = 0.86 fm. Arguments are presented that the deduced value of R* is likely to be an upper bound on the isolated nucleon bag radius. The present results are consistent with the range of bag radii in current bag models. We have also used the resultant optical potential to calculate the shifts and widths of the sup3Ssub1 and sup1Ssub0 atomic bound states of the pp-bar system. For both states we find upward (repulsive) shifts and widths of about 1 keV. We find no evidence for narrow, strongly bound pp-bar states in our potential model

Modeling and Analysis of Epidemic Diffusion within Small-World Network

Directory of Open Access Journals (Sweden)

Ming Liu

2012-01-01

Full Text Available To depict the rule of epidemic diffusion, two different models, the Susceptible-Exposure-Infected-Recovered-Susceptible (SEIRS model and the Susceptible-Exposure-Infected-Quarantine-Recovered-Susceptible (SEIQRS model, are proposed and analyzed within small-world network in this paper. Firstly, the epidemic diffusion models are constructed with mean-filed theory, and condition for the occurrence of disease diffusion is explored. Then, the existence and global stability of the disease-free equilibrium and the endemic equilibrium for these two complex epidemic systems are proved by differential equations knowledge and Routh-Hurwiz theory. At last, a numerical example which includes key parameters analysis and critical topic discussion is presented to test how well the proposed two models may be applied in practice. These works may provide some guidelines for decision makers when coping with epidemic diffusion controlling problems.

Efficient Proof Engines for Bounded Model Checking of Hybrid Systems

DEFF Research Database (Denmark)

Fränzle, Martin; Herde, Christian

2005-01-01

In this paper we present HySat, a new bounded model checker for linear hybrid systems, incorporating a tight integration of a DPLL-based pseudo-Boolean SAT solver and a linear programming routine as core engine. In contrast to related tools like MathSAT, ICS, or CVC, our tool exploits all...

The Kadanoff lower-bound variational renormalization group applied to an SU(2) lattice spin model

International Nuclear Information System (INIS)

Thorleifsson, G.; Damgaard, P.H.

1990-07-01

We apply the variational lower-bound Renormalization Group transformation of Kadanoff to an SU(2) lattice spin model in 2 and 3 dimensions. Even in the one-hypercube framework of this renormalization group transformation the present model is characterised by having an infinite basis of fundamental operators. We investigate whether the lower-bound variational renormalization group transformation yields results stable under truncations of this operator basis. Our results show that for this particular spin model this is not the case. (orig.)

Regularity and mass conservation for discrete coagulation–fragmentation equations with diffusion

KAUST Repository

Cañizo, J.A.

2010-03-01

We present a new a priori estimate for discrete coagulation-fragmentation systems with size-dependent diffusion within a bounded, regular domain confined by homogeneous Neumann boundary conditions. Following from a duality argument, this a priori estimate provides a global L2 bound on the mass density and was previously used, for instance, in the context of reaction-diffusion equations. In this paper we demonstrate two lines of applications for such an estimate: On the one hand, it enables to simplify parts of the known existence theory and allows to show existence of solutions for generalised models involving collision-induced, quadratic fragmentation terms for which the previous existence theory seems difficult to apply. On the other hand and most prominently, it proves mass conservation (and thus the absence of gelation) for almost all the coagulation coefficients for which mass conservation is known to hold true in the space homogeneous case. © 2009 Elsevier Masson SAS. All rights reserved.

A diffuse radar scattering model from Martian surface rocks

Science.gov (United States)

Calvin, W. M.; Jakosky, B. M.; Christensen, P. R.

1987-01-01

Remote sensing of Mars has been done with a variety of instrumentation at various wavelengths. Many of these data sets can be reconciled with a surface model of bonded fines (or duricrust) which varies widely across the surface and a surface rock distribution which varies less so. A surface rock distribution map from -60 to +60 deg latitude has been generated by Christensen. Our objective is to model the diffuse component of radar reflection based on this surface distribution of rocks. The diffuse, rather than specular, scattering is modeled because the diffuse component arises due to scattering from rocks with sizes on the order of the wavelength of the radar beam. Scattering for radio waves of 12.5 cm is then indicative of the meter scale and smaller structure of the surface. The specular term is indicative of large scale surface undulations and should not be causally related to other surface physical properties. A simplified model of diffuse scattering is described along with two rock distribution models. The results of applying the models to a planet of uniform fractional rock coverage with values ranging from 5 to 20% are discussed.

Bounds on dark matter interpretation of Fermi-LAT GeV excess

Directory of Open Access Journals (Sweden)

Kyoungchul Kong

2014-11-01

Full Text Available Annihilation of light dark matter of mDM≈(10–40 GeV into the Standard Model fermions has been suggested as a possible origin of the gamma-ray excess at GeV energies in the Fermi-LAT data. In this paper, we examine possible model-independent signatures of such dark matter models in other experiments such as AMS-02, colliders, and cosmic microwave background (CMB measurements. We point out that first generation of fermion final states is disfavored by the existing experimental data. Currently AMS-02 positron measurements provide stringent bounds on cross sections of dark matter annihilation into leptonic final states, and e+e− final state is in severe tension with this constraint, if not ruled out. The e+e− channel will be complementarily verified in an early stage of ILC and future CMB measurements. Light quark final states (qq¯ are relatively strongly constrained by the LHC and dark matter direct detection experiments even though these bounds are model-dependent. Dark matter signals from annihilations into qq¯ channels would be constrained by AMS-02 antiproton data which will be released in very near future. In optimistic case, diffuse radio emission from nearby galaxy (clusters and the galactic center might provide another hint or limit on dark matter annihilation.

Innovative Adolescent Chemical Dependency Treatment and Its Outcome: A Model Based on Outward Bound Programming.

Science.gov (United States)

McPeake, John D.; And Others

1991-01-01

Describes adolescent chemical dependency treatment model developed at Beech Hill Hospital (New Hampshire) which integrated Twelve Step-oriented alcohol and drug rehabilitation program with experiential education school, Hurricane Island Outward Bound School. Describes Beech Hill Hurricane Island Outward Bound School Adolescent Chemical Dependency…

Entropy production of stationary diffusions on non-compact Riemannian manifolds

Institute of Scientific and Technical Information of China (English)

龚光鲁; 钱敏平

1997-01-01

The closed form of the entropy production of stationary diffusion processes with bounded Nelson’s current velocity is given.The limit of the entropy productions of a sequence of reflecting diffusions is also discussed.

FEM for time-fractional diffusion equations, novel optimal error analyses

OpenAIRE

Mustapha, Kassem

2016-01-01

A semidiscrete Galerkin finite element method applied to time-fractional diffusion equations with time-space dependent diffusivity on bounded convex spatial domains will be studied. The main focus is on achieving optimal error results with respect to both the convergence order of the approximate solution and the regularity of the initial data. By using novel energy arguments, for each fixed time $t$, optimal error bounds in the spatial $L^2$- and $H^1$-norms are derived for both cases: smooth...

Time-Dependent Diffusion MRI in Cancer: Tissue Modeling and Applications

Directory of Open Access Journals (Sweden)

Olivier Reynaud

2017-11-01

Full Text Available In diffusion weighted imaging (DWI, the apparent diffusion coefficient (ADC has been recognized as a useful and sensitive surrogate for cell density, paving the way for non-invasive tumor staging, and characterization of treatment efficacy in cancer. However, microstructural parameters, such as cell size, density and/or compartmental diffusivities affect diffusion in various fashions, making of conventional DWI a sensitive but non-specific probe into changes happening at cellular level. Alternatively, tissue complexity can be probed and quantified using the time dependence of diffusion metrics, sometimes also referred to as temporal diffusion spectroscopy when only using oscillating diffusion gradients. Time-dependent diffusion (TDD is emerging as a strong candidate for specific and non-invasive tumor characterization. Despite the lack of a general analytical solution for all diffusion times/frequencies, TDD can be probed in various regimes where systems simplify in order to extract relevant information about tissue microstructure. The fundamentals of TDD are first reviewed (a in the short time regime, disentangling structural and diffusive tissue properties, and (b near the tortuosity limit, assuming weakly heterogeneous media near infinitely long diffusion times. Focusing on cell bodies (as opposed to neuronal tracts, a simple but realistic model for intracellular diffusion can offer precious insight on diffusion inside biological systems, at all times. Based on this approach, the main three geometrical models implemented so far (IMPULSED, POMACE, VERDICT are reviewed. Their suitability to quantify cell size, intra- and extracellular spaces (ICS and ECS and diffusivities are assessed. The proper modeling of tissue membrane permeability—hardly a newcomer in the field, but lacking applications—and its impact on microstructural estimates are also considered. After discussing general issues with tissue modeling and microstructural parameter

Time-dependent diffusion MRI in cancer: tissue modeling and applications

Science.gov (United States)

Reynaud, Olivier

2017-11-01

In diffusion weighted imaging (DWI), the apparent diffusion coefficient has been recognized as a useful and sensitive surrogate for cell density, paving the way for non-invasive tumor staging, and characterization of treatment efficacy in cancer. However, microstructural parameters, such as cell size, density and/or compartmental diffusivities affect diffusion in various fashions, making of conventional DWI a sensitive but non-specific probe into changes happening at cellular level. Alternatively, tissue complexity can be probed and quantified using the time dependence of diffusion metrics, sometimes also referred to as temporal diffusion spectroscopy when only using oscillating diffusion gradients. Time-dependent diffusion (TDD) is emerging as a strong candidate for specific and non-invasive tumor characterization. Despite the lack of a general analytical solution for all diffusion times / frequencies, TDD can be probed in various regimes where systems simplify in order to extract relevant information about tissue microstructure. The fundamentals of TDD are first reviewed (a) in the short time regime, disentangling structural and diffusive tissue properties, and (b) near the tortuosity limit, assuming weakly heterogeneous media near infinitely long diffusion times. Focusing on cell bodies (as opposed to neuronal tracts), a simple but realistic model for intracellular diffusion can offer precious insight on diffusion inside biological systems, at all times. Based on this approach, the main three geometrical models implemented so far (IMPULSED, POMACE, VERDICT) are reviewed. Their suitability to quantify cell size, intra- and extracellular spaces (ICS and ECS) and diffusivities are assessed. The proper modeling of tissue membrane permeability – hardly a newcomer in the field, but lacking applications - and its impact on microstructural estimates are also considered. After discussing general issues with tissue modeling and microstructural parameter estimation (i

On Uniform Decay of the Entropy for Reaction–Diffusion Systems

KAUST Repository

Mielke, Alexander

2014-09-10

This work provides entropy decay estimates for classes of nonlinear reaction–diffusion systems modeling reversible chemical reactions under the detailed-balance condition. We obtain explicit bounds for the exponential decay of the relative logarithmic entropy, being based essentially on the application of the Log-Sobolev estimate and a convexification argument only, making it quite robust to model variations. An important feature of our analysis is the interaction of the two different dissipative mechanisms: pure diffusion, forcing the system asymptotically to the homogeneous state, and pure reaction, forcing the solution to the (possibly inhomogeneous) chemical equilibrium. Only the interaction of both mechanisms provides the convergence to the homogeneous equilibrium. Moreover, we introduce two generalizations of the main result: (i) vanishing diffusion constants in some chemical components and (ii) usage of different entropy functionals. We provide a few examples to highlight the usability of our approach and shortly discuss possible further applications and open questions.

Extrinsic Isoperimetric Analysis on Submanifolds with Curvatures bounded from below

DEFF Research Database (Denmark)

Markvorsen, Steen; Palmer, Vicente

2010-01-01

and on the radial part of the intrinsic unit normals at the boundaries of the extrinsic spheres, respectively. In the same vein we also establish lower bounds on the mean exit time for Brownian motions in the extrinsic balls, i.e. lower bounds for the time it takes (on average) for Brownian particles to diffuse......We obtain upper bounds for the isoperimetric quotients of extrinsic balls of submanifolds in ambient spaces which have a lower bound on their radial sectional curvatures. The submanifolds are themselves only assumed to have lower bounds on the radial part of the mean curvature vector field...... within the extrinsic ball from a given starting point before they hit the boundary of the extrinsic ball. In those cases, where we may extend our analysis to hold all the way to infinity, we apply a capacity comparison technique to obtain a sufficient condition for the submanifolds to be parabolic, i...

Membrane-based ethylene/ethane separation: The upper bound and beyond

KAUST Repository

Rungta, Meha

2013-08-02

Ethylene/ethane separation via cryogenic distillation is extremely energy-intensive, and membrane separation may provide an attractive alternative. In this paper, ethylene/ethane separation performance using polymeric membranes is summarized, and an experimental ethylene/ethane polymeric upper bound based on literature data is presented. A theoretical prediction of the ethylene/ethane upper bound is also presented, and shows good agreement with the experimental upper bound. Further, two ways to overcome the ethylene/ethane upper bound, based on increasing the sorption or diffusion selectivity, is also discussed, and a review on advanced membrane types such as facilitated transport membranes, zeolite and metal organic framework based membranes, and carbon molecular sieve membranes is presented. Of these, carbon membranes have shown the potential to surpass the polymeric ethylene/ethane upper bound performance. Furthermore, a convenient, potentially scalable method for tailoring the performance of carbon membranes for ethylene/ethane separation based on tuning the pyrolysis conditions has also been demonstrated. © 2013 American Institute of Chemical Engineers.

What Can the Diffusion Model Tell Us About Prospective Memory?

Science.gov (United States)

Horn, Sebastian S.; Bayen, Ute J.; Smith, Rebekah E.

2011-01-01

Cognitive process models, such as Ratcliff’s (1978) diffusion model, are useful tools for examining cost- or interference effects in event-based prospective memory (PM). The diffusion model includes several parameters that provide insight into how and why ongoing-task performance may be affected by a PM task and is ideally suited to analyze performance because both reaction time and accuracy are taken into account. Separate analyses of these measures can easily yield misleading interpretations in cases of speed-accuracy tradeoffs. The diffusion model allows us to measure possible criterion shifts and is thus an important methodological improvement over standard analyses. Performance in an ongoing lexical decision task (Smith, 2003) was analyzed with the diffusion model. The results suggest that criterion shifts play an important role when a PM task is added, but do not fully explain the cost effect on RT. PMID:21443332

Discrete random walk models for space-time fractional diffusion

International Nuclear Information System (INIS)

Gorenflo, Rudolf; Mainardi, Francesco; Moretti, Daniele; Pagnini, Gianni; Paradisi, Paolo

2002-01-01

A physical-mathematical approach to anomalous diffusion may be based on generalized diffusion equations (containing derivatives of fractional order in space or/and time) and related random walk models. By space-time fractional diffusion equation we mean an evolution equation obtained from the standard linear diffusion equation by replacing the second-order space derivative with a Riesz-Feller derivative of order α is part of (0,2] and skewness θ (moduleθ≤{α,2-α}), and the first-order time derivative with a Caputo derivative of order β is part of (0,1]. Such evolution equation implies for the flux a fractional Fick's law which accounts for spatial and temporal non-locality. The fundamental solution (for the Cauchy problem) of the fractional diffusion equation can be interpreted as a probability density evolving in time of a peculiar self-similar stochastic process that we view as a generalized diffusion process. By adopting appropriate finite-difference schemes of solution, we generate models of random walk discrete in space and time suitable for simulating random variables whose spatial probability density evolves in time according to this fractional diffusion equation

Improved bounds on the epidemic threshold of exact SIS models on complex networks

KAUST Repository

Ruhi, Navid Azizan; Thrampoulidis, Christos; Hassibi, Babak

2017-01-01

The SIS (susceptible-infected-susceptible) epidemic model on an arbitrary network, without making approximations, is a 2n-state Markov chain with a unique absorbing state (the all-healthy state). This makes analysis of the SIS model and, in particular, determining the threshold of epidemic spread quite challenging. It has been shown that the exact marginal probabilities of infection can be upper bounded by an n-dimensional linear time-invariant system, a consequence of which is that the Markov chain is “fast-mixing” when the LTI system is stable, i.e. when equation (where β is the infection rate per link, δ is the recovery rate, and λmax(A) is the largest eigenvalue of the network's adjacency matrix). This well-known threshold has been recently shown not to be tight in several cases, such as in a star network. In this paper, we provide tighter upper bounds on the exact marginal probabilities of infection, by also taking pairwise infection probabilities into account. Based on this improved bound, we derive tighter eigenvalue conditions that guarantee fast mixing (i.e., logarithmic mixing time) of the chain. We demonstrate the improvement of the threshold condition by comparing the new bound with the known one on various networks with various epidemic parameters.

Improved bounds on the epidemic threshold of exact SIS models on complex networks

KAUST Repository

Ruhi, Navid Azizan

2017-01-05

The SIS (susceptible-infected-susceptible) epidemic model on an arbitrary network, without making approximations, is a 2n-state Markov chain with a unique absorbing state (the all-healthy state). This makes analysis of the SIS model and, in particular, determining the threshold of epidemic spread quite challenging. It has been shown that the exact marginal probabilities of infection can be upper bounded by an n-dimensional linear time-invariant system, a consequence of which is that the Markov chain is “fast-mixing” when the LTI system is stable, i.e. when equation (where β is the infection rate per link, δ is the recovery rate, and λmax(A) is the largest eigenvalue of the network\\'s adjacency matrix). This well-known threshold has been recently shown not to be tight in several cases, such as in a star network. In this paper, we provide tighter upper bounds on the exact marginal probabilities of infection, by also taking pairwise infection probabilities into account. Based on this improved bound, we derive tighter eigenvalue conditions that guarantee fast mixing (i.e., logarithmic mixing time) of the chain. We demonstrate the improvement of the threshold condition by comparing the new bound with the known one on various networks with various epidemic parameters.

Estimation and prediction under local volatility jump-diffusion model

Science.gov (United States)

Kim, Namhyoung; Lee, Younhee

2018-02-01

Volatility is an important factor in operating a company and managing risk. In the portfolio optimization and risk hedging using the option, the value of the option is evaluated using the volatility model. Various attempts have been made to predict option value. Recent studies have shown that stochastic volatility models and jump-diffusion models reflect stock price movements accurately. However, these models have practical limitations. Combining them with the local volatility model, which is widely used among practitioners, may lead to better performance. In this study, we propose a more effective and efficient method of estimating option prices by combining the local volatility model with the jump-diffusion model and apply it using both artificial and actual market data to evaluate its performance. The calibration process for estimating the jump parameters and local volatility surfaces is divided into three stages. We apply the local volatility model, stochastic volatility model, and local volatility jump-diffusion model estimated by the proposed method to KOSPI 200 index option pricing. The proposed method displays good estimation and prediction performance.

Differences in Gaussian diffusion tensor imaging and non-Gaussian diffusion kurtosis imaging model-based estimates of diffusion tensor invariants in the human brain.

Science.gov (United States)

Lanzafame, S; Giannelli, M; Garaci, F; Floris, R; Duggento, A; Guerrisi, M; Toschi, N

2016-05-01

An increasing number of studies have aimed to compare diffusion tensor imaging (DTI)-related parameters [e.g., mean diffusivity (MD), fractional anisotropy (FA), radial diffusivity (RD), and axial diffusivity (AD)] to complementary new indexes [e.g., mean kurtosis (MK)/radial kurtosis (RK)/axial kurtosis (AK)] derived through diffusion kurtosis imaging (DKI) in terms of their discriminative potential about tissue disease-related microstructural alterations. Given that the DTI and DKI models provide conceptually and quantitatively different estimates of the diffusion tensor, which can also depend on fitting routine, the aim of this study was to investigate model- and algorithm-dependent differences in MD/FA/RD/AD and anisotropy mode (MO) estimates in diffusion-weighted imaging of human brain white matter. The authors employed (a) data collected from 33 healthy subjects (20-59 yr, F: 15, M: 18) within the Human Connectome Project (HCP) on a customized 3 T scanner, and (b) data from 34 healthy subjects (26-61 yr, F: 5, M: 29) acquired on a clinical 3 T scanner. The DTI model was fitted to b-value =0 and b-value =1000 s/mm(2) data while the DKI model was fitted to data comprising b-value =0, 1000 and 3000/2500 s/mm(2) [for dataset (a)/(b), respectively] through nonlinear and weighted linear least squares algorithms. In addition to MK/RK/AK maps, MD/FA/MO/RD/AD maps were estimated from both models and both algorithms. Using tract-based spatial statistics, the authors tested the null hypothesis of zero difference between the two MD/FA/MO/RD/AD estimates in brain white matter for both datasets and both algorithms. DKI-derived MD/FA/RD/AD and MO estimates were significantly higher and lower, respectively, than corresponding DTI-derived estimates. All voxelwise differences extended over most of the white matter skeleton. Fractional differences between the two estimates [(DKI - DTI)/DTI] of most invariants were seen to vary with the invariant value itself as well as with MK

Size dependent diffusive parameters and tensorial diffusion equations in neutronic models for optically small nuclear systems

International Nuclear Information System (INIS)

Premuda, F.

1983-01-01

Two lines in improved neutron diffusion theory extending the efficiency of finite-difference diffusion codes to the field of optically small systems, are here reviewed. The firs involves the nodal solution for tensorial diffusion equation in slab geometry and tensorial formulation in parallelepiped and cylindrical gemometry; the dependence of critical eigenvalue from small slab thicknesses is also analitically investigated and finally a regularized tensorial diffusion equation is derived for slab. The other line refer to diffusion models formally unchanged with respect to the classical one, but where new size-dependent RTGB definitions for diffusion parameters are adopted, requiring that they allow to reproduce, in diffusion approach, the terms of neutron transport global balance; the trascendental equation for the buckling, arising in slab, sphere and parallelepiped geometry from the above requirement, are reported and the sizedependence of the new diffusion coefficient and extrapolated end point is investigated

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.

Science.gov (United States)

Bardhan, Jaydeep P; Knepley, Matthew G; Anitescu, Mihai

2009-03-14

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.

Energy Technology Data Exchange (ETDEWEB)

Bardhan, J. P.; Knepley, M. G.; Anitescu, M. (Biosciences Division); ( MCS); (Rush Univ.)

2009-03-01

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Numerical solution of a reaction-diffusion equation

International Nuclear Information System (INIS)

Moyano, Edgardo A.; Scarpettini, Alberto F.

2000-01-01

The purpose of the present work to continue the observations and the numerical experiences on a reaction-diffusion model, that is a simplified form of the neutronic flux equation. The model is parabolic, nonlinear, with Dirichlet boundary conditions. The purpose is to approximate non trivial solutions, asymptotically stables for t → ∞, that is solutions that tend to the elliptic problem, in the Lyapunov sense. It belongs to the so-called reaction-diffusion equations of semi linear kind, that is, linear equations in the heat operator and they have a nonlinear reaction function, in this case f (u, a, b) = u (a - b u), being u concentration, a and b parameters. The study of the incidence of these parameters take an interest to the neutronic flux physics. So that we search non trivial, positive and bounded solutions. The used algorithm is based on the concept of monotone and ordered sequences, and on the existence theorem of Amann and Sattinger. (author)

Anomalous Transport of Cosmic Rays in a Nonlinear Diffusion Model

Energy Technology Data Exchange (ETDEWEB)

Litvinenko, Yuri E. [Department of Mathematics, University of Waikato, P. B. 3105, Hamilton 3240 (New Zealand); Fichtner, Horst; Walter, Dominik [Institut für Theoretische Physik IV, Ruhr-Universität Bochum, Universitätsstrasse 150, D-44780 Bochum (Germany)

2017-05-20

We investigate analytically and numerically the transport of cosmic rays following their escape from a shock or another localized acceleration site. Observed cosmic-ray distributions in the vicinity of heliospheric and astrophysical shocks imply that anomalous, superdiffusive transport plays a role in the evolution of the energetic particles. Several authors have quantitatively described the anomalous diffusion scalings, implied by the data, by solutions of a formal transport equation with fractional derivatives. Yet the physical basis of the fractional diffusion model remains uncertain. We explore an alternative model of the cosmic-ray transport: a nonlinear diffusion equation that follows from a self-consistent treatment of the resonantly interacting cosmic-ray particles and their self-generated turbulence. The nonlinear model naturally leads to superdiffusive scalings. In the presence of convection, the model yields a power-law dependence of the particle density on the distance upstream of the shock. Although the results do not refute the use of a fractional advection–diffusion equation, they indicate a viable alternative to explain the anomalous diffusion scalings of cosmic-ray particles.

Improved Range Searching Lower Bounds

DEFF Research Database (Denmark)

Larsen, Kasper Green; Nguyen, Huy L.

2012-01-01

by constructing a hard input set and query set, and then invoking Chazelle and Rosenberg's [CGTA'96] general theorem on the complexity of navigation in the pointer machine. For the group model, we show that input sets and query sets that are hard for range reporting in the pointer machine (i.e. by Chazelle...... and Rosenberg's theorem), are also hard for dynamic range searching in the group model. This theorem allows us to reuse decades of research on range reporting lower bounds to immediately obtain a range of new group model lower bounds. Amongst others, this includes an improved lower bound for the fundamental...

A fractional motion diffusion model for grading pediatric brain tumors.

Science.gov (United States)

Karaman, M Muge; Wang, He; Sui, Yi; Engelhard, Herbert H; Li, Yuhua; Zhou, Xiaohong Joe

2016-01-01

To demonstrate the feasibility of a novel fractional motion (FM) diffusion model for distinguishing low- versus high-grade pediatric brain tumors; and to investigate its possible advantage over apparent diffusion coefficient (ADC) and/or a previously reported continuous-time random-walk (CTRW) diffusion model. With approval from the institutional review board and written informed consents from the legal guardians of all participating patients, this study involved 70 children with histopathologically-proven brain tumors (30 low-grade and 40 high-grade). Multi- b -value diffusion images were acquired and analyzed using the FM, CTRW, and mono-exponential diffusion models. The FM parameters, D fm , φ , ψ (non-Gaussian diffusion statistical measures), and the CTRW parameters, D m , α , β (non-Gaussian temporal and spatial diffusion heterogeneity measures) were compared between the low- and high-grade tumor groups by using a Mann-Whitney-Wilcoxon U test. The performance of the FM model for differentiating between low- and high-grade tumors was evaluated and compared with that of the CTRW and the mono-exponential models using a receiver operating characteristic (ROC) analysis. The FM parameters were significantly lower ( p  < 0.0001) in the high-grade ( D fm : 0.81 ± 0.26, φ : 1.40 ± 0.10, ψ : 0.42 ± 0.11) than in the low-grade ( D fm : 1.52 ± 0.52, φ : 1.64 ± 0.13, ψ : 0.67 ± 0.13) tumor groups. The ROC analysis showed that the FM parameters offered better specificity (88% versus 73%), sensitivity (90% versus 82%), accuracy (88% versus 78%), and area under the curve (AUC, 93% versus 80%) in discriminating tumor malignancy compared to the conventional ADC. The performance of the FM model was similar to that of the CTRW model. Similar to the CTRW model, the FM model can improve differentiation between low- and high-grade pediatric brain tumors over ADC.

Modeling of Reaction Processes Controlled by Diffusion

International Nuclear Information System (INIS)

Revelli, Jorge

2003-01-01

Stochastic modeling is quite powerful in science and technology.The technics derived from this process have been used with great success in laser theory, biological systems and chemical reactions.Besides, they provide a theoretical framework for the analysis of experimental results on the field of particle's diffusion in ordered and disordered materials.In this work we analyze transport processes in one-dimensional fluctuating media, which are media that change their state in time.This fact induces changes in the movements of the particles giving rise to different phenomena and dynamics that will be described and analyzed in this work.We present some random walk models to describe these fluctuating media.These models include state transitions governed by different dynamical processes.We also analyze the trapping problem in a lattice by means of a simple model which predicts a resonance-like phenomenon.Also we study effective diffusion processes over surfaces due to random walks in the bulk.We consider different boundary conditions and transitions movements.We derive expressions that describe diffusion behaviors constrained to bulk restrictions and the dynamic of the particles.Finally it is important to mention that the theoretical results obtained from the models proposed in this work are compared with Monte Carlo simulations.We find, in general, excellent agreements between the theory and the simulations

A point particle model of lightly bound skyrmions

Directory of Open Access Journals (Sweden)

Mike Gillard

2017-04-01

Full Text Available A simple model of the dynamics of lightly bound skyrmions is developed in which skyrmions are replaced by point particles, each carrying an internal orientation. The model accounts well for the static energy minimizers of baryon number 1≤B≤8 obtained by numerical simulation of the full field theory. For 9≤B≤23, a large number of static solutions of the point particle model are found, all closely resembling size B subsets of a face centred cubic lattice, with the particle orientations dictated by a simple colouring rule. Rigid body quantization of these solutions is performed, and the spin and isospin of the corresponding ground states extracted. As part of the quantization scheme, an algorithm to compute the symmetry group of an oriented point cloud, and to determine its corresponding Finkelstein–Rubinstein constraints, is devised.

Modeling intragranular diffusion in low-connectivity granular media

Science.gov (United States)

Ewing, Robert P.; Liu, Chongxuan; Hu, Qinhong

2012-03-01

Characterizing the diffusive exchange of solutes between bulk water in an aquifer and water in the intragranular pores of the solid phase is still challenging despite decades of study. Many disparities between observation and theory could be attributed to low connectivity of the intragranular pores. The presence of low connectivity indicates that a useful conceptual framework is percolation theory. The present study was initiated to develop a percolation-based finite difference (FD) model, and to test it rigorously against both random walk (RW) simulations of diffusion starting from nonequilibrium, and data on Borden sand published by Ball and Roberts (1991a,b) and subsequently reanalyzed by Haggerty and Gorelick (1995) using a multirate mass transfer (MRMT) approach. The percolation-theoretical model is simple and readily incorporated into existing FD models. The FD model closely matches the RW results using only a single fitting parameter, across a wide range of pore connectivities. Simulation of the Borden sand experiment without pore connectivity effects reproduced the MRMT analysis, but including low pore connectivity effects improved the fit. Overall, the theory and simulation results show that low intragranular pore connectivity can produce diffusive behavior that appears as if the solute had undergone slow sorption, despite the absence of any sorption process, thereby explaining some hitherto confusing aspects of intragranular diffusion.

Convergence of surface diffusion parameters with model crystal size

Science.gov (United States)

Cohen, Jennifer M.; Voter, Arthur F.

1994-07-01

A study of the variation in the calculated quantities for adatom diffusion with respect to the size of the model crystal is presented. The reported quantities include surface diffusion barrier heights, pre-exponential factors, and dynamical correction factors. Embedded atom method (EAM) potentials were used throughout this effort. Both the layer size and the depth of the crystal were found to influence the values of the Arrhenius factors significantly. In particular, exchange type mechanisms required a significantly larger model than standard hopping mechanisms to determine adatom diffusion barriers of equivalent accuracy. The dynamical events that govern the corrections to transition state theory (TST) did not appear to be as sensitive to crystal depth. Suitable criteria for the convergence of the diffusion parameters with regard to the rate properties are illustrated.

Fragment-based modelling of single stranded RNA bound to RNA recognition motif containing proteins

Science.gov (United States)

de Beauchene, Isaure Chauvot; de Vries, Sjoerd J.; Zacharias, Martin

2016-01-01

Abstract Protein-RNA complexes are important for many biological processes. However, structural modeling of such complexes is hampered by the high flexibility of RNA. Particularly challenging is the docking of single-stranded RNA (ssRNA). We have developed a fragment-based approach to model the structure of ssRNA bound to a protein, based on only the protein structure, the RNA sequence and conserved contacts. The conformational diversity of each RNA fragment is sampled by an exhaustive library of trinucleotides extracted from all known experimental protein–RNA complexes. The method was applied to ssRNA with up to 12 nucleotides which bind to dimers of the RNA recognition motifs (RRMs), a highly abundant eukaryotic RNA-binding domain. The fragment based docking allows a precise de novo atomic modeling of protein-bound ssRNA chains. On a benchmark of seven experimental ssRNA–RRM complexes, near-native models (with a mean heavy-atom deviation of <3 Å from experiment) were generated for six out of seven bound RNA chains, and even more precise models (deviation < 2 Å) were obtained for five out of seven cases, a significant improvement compared to the state of the art. The method is not restricted to RRMs but was also successfully applied to Pumilio RNA binding proteins. PMID:27131381

Recent advances in modelling diffuse radiation

Energy Technology Data Exchange (ETDEWEB)

Boland, John; Ridley, Barbara [Centre for Industrial and Applied Mathematics, Univ. of South Australia, Mawson Lakes, SA (Australia)

2008-07-01

Boland et al (2001) developed a validated model for Australian conditions, using a logistic function instead of piecewise linear or simple nonlinear functions. Recently, Jacovides et al (2006) have verified that this model performs well for locations in Cyprus. Their analysis includes using moving average techniques to demonstrate the form of the relationship, which corresponds well to a logistic relationship. We have made significant advances in both the intuitive and theoretical justification of the use of the logistic function. In the theoretical development of the model utilising advanced non-parametric statistical methods. We have also constructed a method of identifying values that are likely to be erroneous. Using quadratic programming, we can eliminate outliers in diffuse radiation values, the data most prone to errors in measurement. Additionally, this is a first step in identifying the means for developing a generic model for estimating diffuse from global and other predictors (see Boland and Ridley 2007). Our more recent investigations focus on examining the effects of adding additional explanatory variables to enhance the predictability of the model. Examples for Australian and other locations will be presented. (orig.)

Upper and lower Higgs boson mass bounds from a chirally invariant lattice Higgs-Yukawa model

International Nuclear Information System (INIS)

Gerhold, Philipp Frederik Clemens

2009-01-01

Motivated by the advent of the Large Hadron Collider (LHC) the aim of the present work is the non-perturbative determination of the cutoff-dependent upper and lower mass bounds of the Standard Model Higgs boson based on first principle calculations, in particular not relying on additional information such as the triviality property of the Higgs- Yukawa sector or indirect arguments like vacuum stability considerations. For that purpose the lattice approach is employed to allow for a non-perturbative investigation of a chirally invariant lattice Higgs-Yukawa model, serving here as a reasonable simplification of the full Standard Model, containing only those fields and interactions which are most essential for the intended Higgs boson mass determination. These are the complex Higgs doublet as well as the top and bottom quark fields and their mutual interactions. To maintain the chiral character of the Standard Model Higgs-fermion coupling also on the lattice, the latter model is constructed on the basis of the Neuberger overlap operator, obeying then an exact global lattice chiral symmetry. Respecting the fermionic degrees of freedom in a fully dynamical manner by virtue of a PHMC algorithm appropriately adapted to the here intended lattice calculations, such mass bounds can indeed be established with the aforementioned approach. Supported by analytical calculations performed in the framework of the constraint effective potential, the lower bound is found to be approximately m low H (Λ)=80 GeV at a cutoff of Λ=1000 GeV. The emergence of a lower Higgs boson mass bound is thus a manifest property of the pure Higgs-Yukawa sector that evolves directly from the Higgs-fermion interaction for a given set of Yukawa coupling constants. Its quantitative size, however, turns out to be non-universal in the sense, that it depends on the specific form, for instance, of the Higgs boson self-interaction. The upper Higgs boson mass bound is then established in the strong coupling

Stochastic diffusion models for substitutable technological innovations

NARCIS (Netherlands)

Wang, L.; Hu, B.; Yu, X.

2004-01-01

Based on the analysis of firms' stochastic adoption behaviour, this paper first points out the necessity to build more practical stochastic models. And then, stochastic evolutionary models are built for substitutable innovation diffusion system. Finally, through the computer simulation of the

A strongly nonlinear reaction-diffusion model for a deterministic diffusive epidemic

International Nuclear Information System (INIS)

Kirane, M.; Kouachi, S.

1992-10-01

In the present paper the mathematical validity of a model on the spread of an infectious disease is proved. This model was proposed by Bailey. The mathematical validity is proved by means of a positivity, uniqueness and existence theorem. In spite of the apparent simplicity of the problem, the solution requires a delicate set of techniques. It seems very difficult to extend these techniques to a model in more than one dimension without imposing conditions on the diffusivities. (author). 7 refs

Modeling Simple Driving Tasks with a One-Boundary Diffusion Model

Science.gov (United States)

Ratcliff, Roger; Strayer, David

2014-01-01

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

Models for the estimation of diffuse solar radiation for typical cities in Turkey

International Nuclear Information System (INIS)

Bakirci, Kadir

2015-01-01

In solar energy applications, diffuse solar radiation component is required. Solar radiation data particularly in terms of diffuse component are not readily affordable, because of high price of measurements as well as difficulties in their maintenance and calibration. In this study, new empirical models for predicting the monthly mean diffuse solar radiation on a horizontal surface for typical cities in Turkey are established. Therefore, fifteen empirical models from studies in the literature are used. Also, eighteen diffuse solar radiation models are developed using long term sunshine duration and global solar radiation data. The accuracy of the developed models is evaluated in terms of different statistical indicators. It is found that the best performance is achieved for the third-order polynomial model based on sunshine duration and clearness index. - Highlights: • Diffuse radiation is given as a function of clearness index and sunshine fraction. • The diffuse radiation is an important parameter in solar energy applications. • The diffuse radiation measurement is for limited periods and it is very rare. • The new models can be used to estimate monthly average diffuse solar radiation. • The accuracy of the models is evaluated on the basis of statistical indicators

Triviality bound on lightest Higgs mass in next to minimal supersymmetric model

International Nuclear Information System (INIS)

Choudhury, S.R.; Mamta; Dutta, Sukanta

1998-01-01

We study the implication of triviality on Higgs sector in next to minimal supersymmetric model (NMSSM) using variational field theory. It is shown that the mass of the lightest Higgs boson in NMSSM has an upper bound ∼ 10 M w which is of the same order as that in the standard model. (author)

Modelling of multicomponent diffusion in a two-phase oxide-metal corium pool by a diffuse interface method

International Nuclear Information System (INIS)

Cardon, Clement

2016-01-01

This Ph.D. topic is focused on the modelling of stratification kinetics for an oxide-metal corium pool (U-O-Zr-steel system) in terms of multicomponent and multiphase diffusion. This work is part of a larger research effort for the development of a detailed corium pool modelling based on a CFD approach for thermal hydraulics. The overall goal is to improve the understanding of the involved phenomena and obtain closure laws for integral macroscopic models. The phase-field method coupled with an energy functional using the CALPHAD method appears to be relevant for this purpose. In a first part, we have developed a diffuse interface model in order to describe the diffusion process in the U-O system. This model has been coupled with a CALPHAD thermodynamic database and its parameterization has been developed with, in particular, an up-scaling procedure related to the interface thickness. Then, within the framework of a modelling for the U-O-Zr ternary system, we have proposed a generalization of the diffuse interface model through an assumption of local equilibrium for redox mechanisms. A particular attention was paid to the model analysis by 1D numerical simulations with a special focus on the steady state composition profiles. Finally we have applied this model to the U-O-Zr-Fe system. For that purpose, we have considered a configuration close to small-scale experimental tests of oxide-metal corium pool stratification. (author) [fr

Organically bound tritium

International Nuclear Information System (INIS)

Diabate, S.; Strack, S.

1993-01-01

Tritium released into the environment may be incorporated into organic matter. Organically bound tritium in that case will show retention times in organisms that are considerably longer than those of tritiated water which has significant consequences on dose estimates. This article reviews the most important processes of organically bound tritium production and transport through food networks. Metabolic reactions in plant and animal organisms with tritiated water as a reaction partner are of great importance in this respect. The most important production process, in quantitative terms, is photosynthesis in green plants. The translocation of organically bound tritium from the leaves to edible parts of crop plants should be considered in models of organically bound tritium behavior. Organically bound tritium enters the human body on several pathways, either from the primary producers (vegetable food) or at a higher tropic level (animal food). Animal experiments have shown that the dose due to ingestion of organically bound tritium can be up to twice as high as a comparable intake of tritiated water in gaseous or liquid form. In the environment, organically bound tritium in plants and animals is often found to have higher specific tritium concentrations than tissue water. This is not due to some tritium enrichment effects but to the fact that no equilibrium conditions are reached under natural conditions. 66 refs

An evolutionary model of bounded rationality and intelligence.

Directory of Open Access Journals (Sweden)

Thomas J Brennan

Full Text Available BACKGROUND: Most economic theories are based on the premise that individuals maximize their own self-interest and correctly incorporate the structure of their environment into all decisions, thanks to human intelligence. The influence of this paradigm goes far beyond academia-it underlies current macroeconomic and monetary policies, and is also an integral part of existing financial regulations. However, there is mounting empirical and experimental evidence, including the recent financial crisis, suggesting that humans do not always behave rationally, but often make seemingly random and suboptimal decisions. METHODS AND FINDINGS: Here we propose to reconcile these contradictory perspectives by developing a simple binary-choice model that takes evolutionary consequences of decisions into account as well as the role of intelligence, which we define as any ability of an individual to increase its genetic success. If no intelligence is present, our model produces results consistent with prior literature and shows that risks that are independent across individuals in a generation generally lead to risk-neutral behaviors, but that risks that are correlated across a generation can lead to behaviors such as risk aversion, loss aversion, probability matching, and randomization. When intelligence is present the nature of risk also matters, and we show that even when risks are independent, either risk-neutral behavior or probability matching will occur depending upon the cost of intelligence in terms of reproductive success. In the case of correlated risks, we derive an implicit formula that shows how intelligence can emerge via selection, why it may be bounded, and how such bounds typically imply the coexistence of multiple levels and types of intelligence as a reflection of varying environmental conditions. CONCLUSIONS: Rational economic behavior in which individuals maximize their own self interest is only one of many possible types of behavior that

An evolutionary model of bounded rationality and intelligence.

Science.gov (United States)

Brennan, Thomas J; Lo, Andrew W

2012-01-01

Most economic theories are based on the premise that individuals maximize their own self-interest and correctly incorporate the structure of their environment into all decisions, thanks to human intelligence. The influence of this paradigm goes far beyond academia-it underlies current macroeconomic and monetary policies, and is also an integral part of existing financial regulations. However, there is mounting empirical and experimental evidence, including the recent financial crisis, suggesting that humans do not always behave rationally, but often make seemingly random and suboptimal decisions. Here we propose to reconcile these contradictory perspectives by developing a simple binary-choice model that takes evolutionary consequences of decisions into account as well as the role of intelligence, which we define as any ability of an individual to increase its genetic success. If no intelligence is present, our model produces results consistent with prior literature and shows that risks that are independent across individuals in a generation generally lead to risk-neutral behaviors, but that risks that are correlated across a generation can lead to behaviors such as risk aversion, loss aversion, probability matching, and randomization. When intelligence is present the nature of risk also matters, and we show that even when risks are independent, either risk-neutral behavior or probability matching will occur depending upon the cost of intelligence in terms of reproductive success. In the case of correlated risks, we derive an implicit formula that shows how intelligence can emerge via selection, why it may be bounded, and how such bounds typically imply the coexistence of multiple levels and types of intelligence as a reflection of varying environmental conditions. Rational economic behavior in which individuals maximize their own self interest is only one of many possible types of behavior that arise from natural selection. The key to understanding which types of

Computing diffuse fraction of global horizontal solar radiation: A model comparison.

Science.gov (United States)

Dervishi, Sokol; Mahdavi, Ardeshir

2012-06-01

For simulation-based prediction of buildings' energy use or expected gains from building-integrated solar energy systems, information on both direct and diffuse component of solar radiation is necessary. Available measured data are, however, typically restricted to global horizontal irradiance. There have been thus many efforts in the past to develop algorithms for the derivation of the diffuse fraction of solar irradiance. In this context, the present paper compares eight models for estimating diffuse fraction of irradiance based on a database of measured irradiance from Vienna, Austria. These models generally involve mathematical formulations with multiple coefficients whose values are typically valid for a specific location. Subsequent to a first comparison of these eight models, three better performing models were selected for a more detailed analysis. Thereby, the coefficients of the models were modified to account for Vienna data. The results suggest that some models can provide relatively reliable estimations of the diffuse fractions of the global irradiance. The calibration procedure could only slightly improve the models' performance.

The Preisach hysteresis model: Error bounds for numerical identification and inversion

Czech Academy of Sciences Publication Activity Database

Krejčí, Pavel

2013-01-01

Roč. 6, č. 1 (2013), s. 101-119 ISSN 1937-1632 R&D Projects: GA ČR GAP201/10/2315 Institutional support: RVO:67985840 Keywords : hysteresis * Preisach model * error bounds Subject RIV: BA - General Mathematics http://www.aimsciences.org/journals/displayArticlesnew.jsp?paperID=7779

Fast electron current density profile and diffusion studies during LHCD in PBX-M

International Nuclear Information System (INIS)

Jones, S.E.; Kesner, J.; Luckhardt, S.; Paoletti, F.

1993-08-01

Successful current profile control experiments using lower hybrid current drive (LCHD) clearly require knowledge of (1) the location of the driven fast electrons and (2) the ability to maintain that location from spreading due to radial diffusion. These issues can be addressed by examining the data from the hard x-ray camera on PBX-M, a unique diagnostic producing two-dimensional, time resolved tangential images of fast electron bremsstrahlung. Using modeling, these line-of-sight images are inverted to extract a radial fast electron current density profile. We note that ''hollow'' profiles have been observed, indicative of off-axis current drive. These profiles can then be used to calculate an upper bound for an effective fast electron diffusion constant: assuming an extremely radially narrow lower hybrid absorption profile and a transport model based on Rax and Moreau, a model fast electron current density profile is calculated and compared to the experimentally derived profile. The model diffusion constant is adjusted until a good match is found. Applied to steady-state quiescent modes on PBX-M, we obtain an upper limit for an effective diffusion constant of about D*=1.1 m 2 /sec

Modelling and simulation of diffusive processes methods and applications

CERN Document Server

Basu, SK

2014-01-01

This book addresses the key issues in the modeling and simulation of diffusive processes from a wide spectrum of different applications across a broad range of disciplines. Features: discusses diffusion and molecular transport in living cells and suspended sediment in open channels; examines the modeling of peristaltic transport of nanofluids, and isotachophoretic separation of ionic samples in microfluidics; reviews thermal characterization of non-homogeneous media and scale-dependent porous dispersion resulting from velocity fluctuations; describes the modeling of nitrogen fate and transport

Effects of amantadine on the dynamics of membrane-bound influenza A M2 transmembrane peptide studied by NMR relaxation

Energy Technology Data Exchange (ETDEWEB)

Cady, Sarah D.; Hong Mei [Iowa State University, Department of Chemistry (United States)], E-mail: mhong@iastate.edu

2009-09-15

The molecular motions of membrane proteins in liquid-crystalline lipid bilayers lie at the interface between motions in isotropic liquids and in solids. Specifically, membrane proteins can undergo whole-body uniaxial diffusion on the microsecond time scale. In this work, we investigate the {sup 1}H rotating-frame spin-lattice relaxation (T{sub 1{rho}}) caused by the uniaxial diffusion of the influenza A M2 transmembrane peptide (M2TMP), which forms a tetrameric proton channel in lipid bilayers. This uniaxial diffusion was proved before by {sup 2}H, {sup 15}N and {sup 13}C NMR lineshapes of M2TMP in DLPC bilayers. When bound to an inhibitor, amantadine, the protein exhibits significantly narrower linewidths at physiological temperature. We now investigate the origin of this line narrowing through temperature-dependent {sup 1}H T{sub 1{rho}} relaxation times in the absence and presence of amantadine. Analysis of the temperature dependence indicates that amantadine decreases the correlation time of motion from 2.8 {+-} 0.9 {mu}s for the apo peptide to 0.89 {+-} 0.41 {mu}s for the bound peptide at 313 K. Thus the line narrowing of the bound peptide is due to better avoidance of the NMR time scale and suppression of intermediate time scale broadening. The faster diffusion of the bound peptide is due to the higher attempt rate of motion, suggesting that amantadine creates better-packed and more cohesive helical bundles. Analysis of the temperature dependence of ln (T{sub 1{rho}}{sup -1}) indicates that the activation energy of motion increased from 14.0 {+-} 4.0 kJ/mol for the apo peptide to 23.3 {+-} 6.2 kJ/mol for the bound peptide. This higher activation energy indicates that excess amantadine outside the protein channel in the lipid bilayer increases the membrane viscosity. Thus, the protein-bound amantadine speeds up the diffusion of the helical bundles while the excess amantadine in the bilayer increases the membrane viscosity.

Integrating Models of Diffusion and Behavior to Predict Innovation Adoption, Maintenance, and Social Diffusion.

Science.gov (United States)

Smith, Rachel A; Kim, Youllee; Zhu, Xun; Doudou, Dimi Théodore; Sternberg, Eleanore D; Thomas, Matthew B

2018-01-01

This study documents an investigation into the adoption and diffusion of eave tubes, a novel mosquito vector control, during a large-scale scientific field trial in West Africa. The diffusion of innovations (DOI) and the integrated model of behavior (IMB) were integrated (i.e., innovation attributes with attitudes and social pressures with norms) to predict participants' (N = 329) diffusion intentions. The findings showed that positive attitudes about the innovation's attributes were a consistent positive predictor of diffusion intentions: adopting it, maintaining it, and talking with others about it. As expected by the DOI and the IMB, the social pressure created by a descriptive norm positively predicted intentions to adopt and maintain the innovation. Drawing upon sharing research, we argued that the descriptive norm may dampen future talk about the innovation, because it may no longer be seen as a novel, useful topic to discuss. As predicted, the results showed that as the descriptive norm increased, the intention to talk about the innovation decreased. These results provide broad support for integrating the DOI and the IMB to predict diffusion and for efforts to draw on other research to understand motivations for social diffusion.

A Diffusion Model for Two-sided Service Systems

Science.gov (United States)

Homma, Koichi; Yano, Koujin; Funabashi, Motohisa

A diffusion model is proposed for two-sided service systems. ‘Two-sided’ refers to the existence of an economic network effect between two different and interrelated groups, e.g., card holders and merchants in an electronic money service. The service benefit for a member of one side depends on the number and quality of the members on the other side. A mathematical model by J. H. Rohlfs explains the network (or bandwagon) effect of communications services. In Rohlfs' model, only the users' group exists and the model is one-sided. This paper extends Rohlfs' model to a two-sided model. We propose, first, a micro model that explains individual behavior in regard to service subscription of both sides and a computational method that drives the proposed model. Second, we develop macro models with two diffusion-rate variables by simplifying the micro model. As a case study, we apply the models to an electronic money service and discuss the simulation results and actual statistics.

A comparison between skeleton and bounding box models for falling direction recognition

Science.gov (United States)

Narupiyakul, Lalita; Srisrisawang, Nitikorn

2017-12-01

Falling is an injury that can lead to a serious medical condition in every range of the age of people. However, in the case of elderly, the risk of serious injury is much higher. Due to the fact that one way of preventing serious injury is to treat the fallen person as soon as possible, several works attempted to implement different algorithms to recognize the fall. Our work compares the performance of two models based on features extraction: (i) Body joint data (Skeleton Data) which are the joint's positions in 3 axes and (ii) Bounding box (Box-size Data) covering all body joints. Machine learning algorithms that were chosen are Decision Tree (DT), Naïve Bayes (NB), K-nearest neighbors (KNN), Linear discriminant analysis (LDA), Voting Classification (VC), and Gradient boosting (GB). The results illustrate that the models trained with Skeleton data are performed far better than those trained with Box-size data (with an average accuracy of 94-81% and 80-75%, respectively). KNN shows the best performance in both Body joint model and Bounding box model. In conclusion, KNN with Body joint model performs the best among the others.

Probabilistic error bounds for reduced order modeling

Energy Technology Data Exchange (ETDEWEB)

Abdo, M.G.; Wang, C.; Abdel-Khalik, H.S., E-mail: abdo@purdue.edu, E-mail: wang1730@purdue.edu, E-mail: abdelkhalik@purdue.edu [Purdue Univ., School of Nuclear Engineering, West Lafayette, IN (United States)

2015-07-01

Reduced order modeling has proven to be an effective tool when repeated execution of reactor analysis codes is required. ROM operates on the assumption that the intrinsic dimensionality of the associated reactor physics models is sufficiently small when compared to the nominal dimensionality of the input and output data streams. By employing a truncation technique with roots in linear algebra matrix decomposition theory, ROM effectively discards all components of the input and output data that have negligible impact on reactor attributes of interest. This manuscript introduces a mathematical approach to quantify the errors resulting from the discarded ROM components. As supported by numerical experiments, the introduced analysis proves that the contribution of the discarded components could be upper-bounded with an overwhelmingly high probability. The reverse of this statement implies that the ROM algorithm can self-adapt to determine the level of the reduction needed such that the maximum resulting reduction error is below a given tolerance limit that is set by the user. (author)

Bounds on the number of bound states in the transfer matrix spectrum for some weakly correlated lattice models

International Nuclear Information System (INIS)

O’Carroll, Michael

2012-01-01

We consider the interaction of particles in weakly correlated lattice quantum field theories. In the imaginary time functional integral formulation of these theories there is a relative coordinate lattice Schroedinger operator H which approximately describes the interaction of these particles. Scalar and vector spin, QCD and Gross-Neveu models are included in these theories. In the weakly correlated regime H=H o +W where H o =−γΔ l , 0 l is the d-dimensional lattice Laplacian: γ=β, the inverse temperature for spin systems and γ=κ 3 where κ is the hopping parameter for QCD. W is a self-adjoint potential operator which may have non-local contributions but obeys the bound ‖W(x, y)‖⩽cexp ( −a(‖x‖+‖y‖)), a large: exp−a=β/β o (1/2) (κ/κ o ) for spin (QCD) models. H o , W, and H act in l 2 (Z d ), d⩾ 1. The spectrum of H below zero is known to be discrete and we obtain bounds on the number of states below zero. This number depends on the short range properties of W, i.e., the long range tail does not increase the number of states.

Tunable Tensor Voting Improves Grouping of Membrane-Bound Macromolecules

Energy Technology Data Exchange (ETDEWEB)

Loss, Leandro A.; Bebis, George; Parvin, Bahram

2009-04-15

Membrane-bound macromolecules are responsible for structural support and mediation of cell-cell adhesion in tissues. Quantitative analysis of these macromolecules provides morphological indices for damage or loss of tissue, for example as a result of exogenous stimuli. From an optical point of view, a membrane signal may have nonuniform intensity around the cell boundary, be punctate or diffused, and may even be perceptual at certain locations along the boundary. In this paper, a method for the detection and grouping of punctate, diffuse curvilinear signals is proposed. Our work builds upon the tensor voting and the iterative voting frameworks to propose an efficient method to detect and refine perceptually interesting curvilinear structures in images. The novelty of our method lies on the idea of iteratively tuning the tensor voting fields, which allows the concentration of the votes only over areas of interest. We validate the utility of our system with synthetic and annotated real data. The effectiveness of the tunable tensor voting is demonstrated on complex phenotypic signals that are representative of membrane-bound macromolecular structures.

Dipole-bound states as doorways in (dissociative) electron attachment

International Nuclear Information System (INIS)

Sommerfeld, Thomas

2005-01-01

This communication starts with a comparison of dissociative recombination and dissociative attachment placing emphasis on the role of resonances as reactive intermediates. The main focus is then the mechanism of electron attachment to polar molecules at very low energies (100 meV). The scheme considered consists of two steps: First, an electron is captured in a diffuse dipole-bound state depositing its energy in the vibrational degrees of freedom, in other words, a vibrational Feshbach resonance is formed. Then, owing to the coupling with a valence state, the electron is transferred into a compact valence orbital, and depending on the electron affinities of the valence state and possible dissociation products, as well as on the details of the intramolecular redistribution of vibrational energy, long-lived anions can be generated or dissociation reactions can be initiated. The key property in this context is the electronic coupling strength between the diffuse dipole-bound and the compact valence states. We describe how the coupling strength can be extracted from ab initio data, and present results for Nitromethane, Uracil and Cyanoacetylene

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

International Nuclear Information System (INIS)

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

1998-01-01

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

A generalized diffusion model for growth of nanoparticles synthesized by colloidal methods.

Science.gov (United States)

Wen, Tianlong; Brush, Lucien N; Krishnan, Kannan M

2014-04-01

A nanoparticle growth model is developed to predict and guide the syntheses of monodisperse colloidal nanoparticles in the liquid phase. The model, without any a priori assumptions, is based on the Fick's law of diffusion, conservation of mass and the Gibbs-Thomson equation for crystal growth. In the limiting case, this model reduces to the same expression as the currently accepted model that requires the assumption of a diffusion layer around each nanoparticle. The present growth model bridges the two limiting cases of the previous model i.e. complete diffusion controlled and adsorption controlled growth of nanoparticles. Specifically, the results show that a monodispersion of nanoparticles can be obtained both with fast monomer diffusion and with surface reaction under conditions of small diffusivity to surface reaction constant ratio that results is growth 'focusing'. This comprehensive description of nanoparticle growth provides new insights and establishes the required conditions for fabricating monodisperse nanoparticles critical for a wide range of applications. Copyright © 2013 Elsevier Inc. All rights reserved.

Random variability in mesoscale wind observations and implications for diffusion models

Energy Technology Data Exchange (ETDEWEB)

Hanna, S.R. [Sigma Research Corp., Concord, MA (United States)

1994-12-31

The investigation reported in this paper grew out of a preliminary analysis of methods by which regional air quality models such as the Regional Oxidant Model account for horizontal transport and diffusion. It was discovered that there is a variety of often inconsistent methods used to parameterize horizontal diffusion at meso- and regional scales, and the time seemed ripe to review and compare and contrast these schemes. This paper provides a brief overview of the major issues that were uncovered and lists a few specific examples of the technical approaches that are used. Subsequent sections cover the basic physics of horizontal diffusion, the characteristics of observed wind fields, and methods of parameterizing horizontal diffusion in air quality models.

Spontaneous reverse movement of mRNA-bound tRNA through the ribosome.

Science.gov (United States)

Konevega, Andrey L; Fischer, Niels; Semenkov, Yuri P; Stark, Holger; Wintermeyer, Wolfgang; Rodnina, Marina V

2007-04-01

During the translocation step of protein synthesis, a complex of two transfer RNAs bound to messenger RNA (tRNA-mRNA) moves through the ribosome. The reaction is promoted by an elongation factor, called EF-G in bacteria, which, powered by GTP hydrolysis, induces an open, unlocked conformation of the ribosome that allows for spontaneous tRNA-mRNA movement. Here we show that, in the absence of EF-G, there is spontaneous backward movement, or retrotranslocation, of two tRNAs bound to mRNA. Retrotranslocation is driven by the gain in affinity when a cognate E-site tRNA moves into the P site, which compensates the affinity loss accompanying the movement of peptidyl-tRNA from the P to the A site. These results lend support to the diffusion model of tRNA movement during translocation. In the cell, tRNA movement is biased in the forward direction by EF-G, which acts as a Brownian ratchet and prevents backward movement.

Bound and rebound states

International Nuclear Information System (INIS)

Orzalesi, C.A.

1979-01-01

In relativistic quantum theory, bound states generate forces in the crossed channel; such forces can affect the binding and self-consistent solutions should be sought for the bound-state problem. The author investigates how self-consistency can be achieved by successive approximations, in a simple scalar model and with successive relativistic eikonal approximations (EAs). Within the generalized ladder approximation, some exact properties of the resulting ''first generation'' bound states are discussed. The binding energies in this approximation are rather small even for rather large values of the primary coupling constant. The coupling of the constituent particles to the first-generation reggeon is determined by a suitable EA and a new generalized ladder amplitude is constructed with rungs given either by the primary gluons or by the first-generation reggeons. The resulting new (second-generation) bound states are found in a reggeized EA. The size of the corrections to the binding energies due to the rebinding effects is surprisingly large. The procedure is then iterated, so as to find - again in an EA - the third-generation bound states. The procedure is found to be self-consistent already at this stage: the third-generation bound states coincide with those of second generation, and no further rebinding takes place in the higher iterations of the approximation method. Features - good and bad - of the model are discussed, as well as the possible relevance of rebinding mechanisms in hadron dynamics. (author)

Dense-gas dispersion advection-diffusion model

International Nuclear Information System (INIS)

Ermak, D.L.

1992-07-01

A dense-gas version of the ADPIC particle-in-cell, advection- diffusion model was developed to simulate the atmospheric dispersion of denser-than-air releases. In developing the model, it was assumed that the dense-gas effects could be described in terms of the vertically-averaged thermodynamic properties and the local height of the cloud. The dense-gas effects were treated as a perturbation to the ambient thermodynamic properties (density and temperature), ground level heat flux, turbulence level (diffusivity), and windfield (gravity flow) within the local region of the dense-gas cloud. These perturbations were calculated from conservation of energy and conservation of momentum principles along with the ideal gas law equation of state for a mixture of gases. ADPIC, which is generally run in conjunction with a mass-conserving wind flow model to provide the advection field, contains all the dense-gas modifications within it. This feature provides the versatility of coupling the new dense-gas ADPIC with alternative wind flow models. The new dense-gas ADPIC has been used to simulate the atmospheric dispersion of ground-level, colder-than-ambient, denser-than-air releases and has compared favorably with the results of field-scale experiments

Optimizing the Diffusion Welding Process for Alloy 800H: Thermodynamic, Diffusion Modeling, and Experimental Work

International Nuclear Information System (INIS)

Mizia, R.E.; Clark, D.E.; Glazoff, M.V.; Lister, Tedd E.; Trowbridge, T.L.

2011-01-01

A research effort was made to evaluate the usefulness of modern thermodynamic and diffusion computational tools, Thermo-Calc(copyright) and Dictra(copyright), in optimizing the parameters for diffusion welding of Alloy 800H. This would achieve a substantial reduction in the overall number of experiments required to achieve optimal welding and post-weld heat treatment conditions. This problem is important because diffusion welded components of Alloy 800H are being evaluated for use in assembling compact, micro-channel heat exchangers that are being proposed in the design of a high temperature gas-cooled reactor by the US Department of Energy. The modeling was done in close contact with experimental work. The latter included using the Gleeble 3500 System(reg sign) for welding simulation, mechanical property measurement, and light optical and Scanning Electron Microscopy. The modeling efforts suggested a temperature of 1150 C for 1 hour with an applied pressure of 5 MPa using a 15 μm Ni foil as a joint filler to reduce chromium oxidation on the welded surfaces. Good agreement between modeled and experimentally determined concentration gradients was achieved, and model refinements to account for the complexity of actual alloy materials are suggested.

Validation of a mixture-averaged thermal diffusion model for premixed lean hydrogen flames

Science.gov (United States)

Schlup, Jason; Blanquart, Guillaume

2018-03-01

The mixture-averaged thermal diffusion model originally proposed by Chapman and Cowling is validated using multiple flame configurations. Simulations using detailed hydrogen chemistry are done on one-, two-, and three-dimensional flames. The analysis spans flat and stretched, steady and unsteady, and laminar and turbulent flames. Quantitative and qualitative results using the thermal diffusion model compare very well with the more complex multicomponent diffusion model. Comparisons are made using flame speeds, surface areas, species profiles, and chemical source terms. Once validated, this model is applied to three-dimensional laminar and turbulent flames. For these cases, thermal diffusion causes an increase in the propagation speed of the flames as well as increased product chemical source terms in regions of high positive curvature. The results illustrate the necessity for including thermal diffusion, and the accuracy and computational efficiency of the mixture-averaged thermal diffusion model.

An innovation diffusion model for new mobile technologies acceptance

Directory of Open Access Journals (Sweden)

Barkoczia Nadi

2017-01-01

Full Text Available This paper aims to approach the diffusion model developed in 1960 by Frank Bass has been utilized to study the distribution of different types of new products and services. The Bass Model helps by describing the process in which new products are adopted in a market. This model is a useful tool for predicting the first purchase of an innovative product for which there are competing alternatives on the market. It also provides the innovator with information regarding the size of customers and the adoption time for the product. The second part of the paper is dedicated to a monographic study of specific conceptual correlations between the diffusion of technology and marketing management that emphasizes technological uncertainty and market uncertainty as major risks to innovative projects. In the final section, the results of empirical research conducted in Baia-Mare, Romania will be presented in a way that uses diffusion Bass model to estimate the adoption period for new mobile technologies.

Some Improved Nonperturbative Bounds for Fermionic Expansions

Energy Technology Data Exchange (ETDEWEB)

Lohmann, Martin, E-mail: marlohmann@gmail.com [Universita di Roma Tre, Dipartimento di Matematica (Italy)

2016-06-15

We reconsider the Gram-Hadamard bound as it is used in constructive quantum field theory and many body physics to prove convergence of Fermionic perturbative expansions. Our approach uses a recursion for the amplitudes of the expansion, discovered in a model problem by Djokic (2013). It explains the standard way to bound the expansion from a new point of view, and for some of the amplitudes provides new bounds, which avoid the use of Fourier transform, and are therefore superior to the standard bounds for models like the cold interacting Fermi gas.

MODEL OF THE TOKAMAK EDGE DENSITY PEDESTAL INCLUDING DIFFUSIVE NEUTRALS

International Nuclear Information System (INIS)

BURRELL, K.H.

2003-01-01

OAK-B135 Several previous analytic models of the tokamak edge density pedestal have been based on diffusive transport of plasma plus free-streaming of neutrals. This latter neutral model includes only the effect of ionization and neglects charge exchange. The present work models the edge density pedestal using diffusive transport for both the plasma and the neutrals. In contrast to the free-streaming model, a diffusion model for the neutrals includes the effect of both charge exchange and ionization and is valid when charge exchange is the dominant interaction. Surprisingly, the functional forms for the electron and neutral density profiles from the present calculation are identical to the results of the previous analytic models. There are some differences in the detailed definition of various parameters in the solution. For experimentally relevant cases where ionization and charge exchange rate are comparable, both models predict approximately the same width for the edge density pedestal

Fractional Heat Conduction Models and Thermal Diffusivity Determination

Directory of Open Access Journals (Sweden)

Monika Žecová

2015-01-01

Full Text Available The contribution deals with the fractional heat conduction models and their use for determining thermal diffusivity. A brief historical overview of the authors who have dealt with the heat conduction equation is described in the introduction of the paper. The one-dimensional heat conduction models with using integer- and fractional-order derivatives are listed. Analytical and numerical methods of solution of the heat conduction models with using integer- and fractional-order derivatives are described. Individual methods have been implemented in MATLAB and the examples of simulations are listed. The proposal and experimental verification of the methods for determining thermal diffusivity using half-order derivative of temperature by time are listed at the conclusion of the paper.

Boundedly rational learning and heterogeneous trading strategies with hybrid neuro-fuzzy models

NARCIS (Netherlands)

Bekiros, S.D.

2009-01-01

The present study deals with heterogeneous learning rules in speculative markets where heuristic strategies reflect the rules-of-thumb of boundedly rational investors. The major challenge for "chartists" is the development of new models that would enhance forecasting ability particularly for time

Liver fibrosis: stretched exponential model outperforms mono-exponential and bi-exponential models of diffusion-weighted MRI.

Science.gov (United States)

Seo, Nieun; Chung, Yong Eun; Park, Yung Nyun; Kim, Eunju; Hwang, Jinwoo; Kim, Myeong-Jin

2018-07-01

To compare the ability of diffusion-weighted imaging (DWI) parameters acquired from three different models for the diagnosis of hepatic fibrosis (HF). Ninety-five patients underwent DWI using nine b values at 3 T magnetic resonance. The hepatic apparent diffusion coefficient (ADC) from a mono-exponential model, the true diffusion coefficient (D t ), pseudo-diffusion coefficient (D p ) and perfusion fraction (f) from a biexponential model, and the distributed diffusion coefficient (DDC) and intravoxel heterogeneity index (α) from a stretched exponential model were compared with the pathological HF stage. For the stretched exponential model, parameters were also obtained using a dataset of six b values (DDC # , α # ). The diagnostic performances of the parameters for HF staging were evaluated with Obuchowski measures and receiver operating characteristics (ROC) analysis. The measurement variability of DWI parameters was evaluated using the coefficient of variation (CoV). Diagnostic accuracy for HF staging was highest for DDC # (Obuchowski measures, 0.770 ± 0.03), and it was significantly higher than that of ADC (0.597 ± 0.05, p bi-exponential DWI model • Acquisition of six b values is sufficient to obtain accurate DDC and α.

Efficient Multi-Valued Bounded Model Checking for LTL over Quasi-Boolean Algebras

OpenAIRE

Andrade, Jefferson O.; Kameyama, Yukiyoshi

2012-01-01

Multi-valued Model Checking extends classical, two-valued model checking to multi-valued logic such as Quasi-Boolean logic. The added expressivity is useful in dealing with such concepts as incompleteness and uncertainty in target systems, while it comes with the cost of time and space. Chechik and others proposed an efficient reduction from multi-valued model checking problems to two-valued ones, but to the authors' knowledge, no study was done for multi-valued bounded model checking. In thi...

Technological diffusion in the Ramsey model

Czech Academy of Sciences Publication Activity Database

Duczynski, Petr

2002-01-01

Roč. 1, č. 3 (2002), s. 243-250 ISSN 1607-0704 Institutional research plan: CEZ:AV0Z7085904 Keywords : neoclassical growth model * technological diffusion Subject RIV: AH - Economics http://www.ijbe.org/table%20of%20content/pdf/vol1-3/06.pdf

Modeling convection-diffusion-reaction systems for microfluidic molecular communications with surface-based receivers in Internet of Bio-Nano Things.

Directory of Open Access Journals (Sweden)

Murat Kuscu

Full Text Available We consider a microfluidic molecular communication (MC system, where the concentration-encoded molecular messages are transported via fluid flow-induced convection and diffusion, and detected by a surface-based MC receiver with ligand receptors placed at the bottom of the microfluidic channel. The overall system is a convection-diffusion-reaction system that can only be solved by numerical methods, e.g., finite element analysis (FEA. However, analytical models are key for the information and communication technology (ICT, as they enable an optimisation framework to develop advanced communication techniques, such as optimum detection methods and reliable transmission schemes. In this direction, we develop an analytical model to approximate the expected time course of bound receptor concentration, i.e., the received signal used to decode the transmitted messages. The model obviates the need for computationally expensive numerical methods by capturing the nonlinearities caused by laminar flow resulting in parabolic velocity profile, and finite number of ligand receptors leading to receiver saturation. The model also captures the effects of reactive surface depletion layer resulting from the mass transport limitations and moving reaction boundary originated from the passage of finite-duration molecular concentration pulse over the receiver surface. Based on the proposed model, we derive closed form analytical expressions that approximate the received pulse width, pulse delay and pulse amplitude, which can be used to optimize the system from an ICT perspective. We evaluate the accuracy of the proposed model by comparing model-based analytical results to the numerical results obtained by solving the exact system model with COMSOL Multiphysics.

Modeling convection-diffusion-reaction systems for microfluidic molecular communications with surface-based receivers in Internet of Bio-Nano Things.

Science.gov (United States)

Kuscu, Murat; Akan, Ozgur B

2018-01-01

We consider a microfluidic molecular communication (MC) system, where the concentration-encoded molecular messages are transported via fluid flow-induced convection and diffusion, and detected by a surface-based MC receiver with ligand receptors placed at the bottom of the microfluidic channel. The overall system is a convection-diffusion-reaction system that can only be solved by numerical methods, e.g., finite element analysis (FEA). However, analytical models are key for the information and communication technology (ICT), as they enable an optimisation framework to develop advanced communication techniques, such as optimum detection methods and reliable transmission schemes. In this direction, we develop an analytical model to approximate the expected time course of bound receptor concentration, i.e., the received signal used to decode the transmitted messages. The model obviates the need for computationally expensive numerical methods by capturing the nonlinearities caused by laminar flow resulting in parabolic velocity profile, and finite number of ligand receptors leading to receiver saturation. The model also captures the effects of reactive surface depletion layer resulting from the mass transport limitations and moving reaction boundary originated from the passage of finite-duration molecular concentration pulse over the receiver surface. Based on the proposed model, we derive closed form analytical expressions that approximate the received pulse width, pulse delay and pulse amplitude, which can be used to optimize the system from an ICT perspective. We evaluate the accuracy of the proposed model by comparing model-based analytical results to the numerical results obtained by solving the exact system model with COMSOL Multiphysics.

Curvature bound from gravitational catalysis

Science.gov (United States)

Gies, Holger; Martini, Riccardo

2018-04-01

We determine bounds on the curvature of local patches of spacetime from the requirement of intact long-range chiral symmetry. The bounds arise from a scale-dependent analysis of gravitational catalysis and its influence on the effective potential for the chiral order parameter, as induced by fermionic fluctuations on a curved spacetime with local hyperbolic properties. The bound is expressed in terms of the local curvature scalar measured in units of a gauge-invariant coarse-graining scale. We argue that any effective field theory of quantum gravity obeying this curvature bound is safe from chiral symmetry breaking through gravitational catalysis and thus compatible with the simultaneous existence of chiral fermions in the low-energy spectrum. With increasing number of dimensions, the curvature bound in terms of the hyperbolic scale parameter becomes stronger. Applying the curvature bound to the asymptotic safety scenario for quantum gravity in four spacetime dimensions translates into bounds on the matter content of particle physics models.

A mathematical model in charactering chloride diffusivity in unsaturated cementitious material

NARCIS (Netherlands)

Zhang, Y.; Ye, G.; Pecur, I.B.; Baricevic, A.; Stirmer, N; Bjegovic, D.

2017-01-01

In this paper, a new analytic model for predicting chloride diffusivity in unsaturated cementitious materials is developed based on conductivity theory and Nernst-Einstein equation. The model specifies that chloride diffusivity in unsaturated cementitious materials can be mathematically described as

Information diffusion, Facebook clusters, and the simplicial model of social aggregation: a computational simulation of simplicial diffusers for community health interventions.

Science.gov (United States)

Kee, Kerk F; Sparks, Lisa; Struppa, Daniele C; Mannucci, Mirco A; Damiano, Alberto

2016-01-01

By integrating the simplicial model of social aggregation with existing research on opinion leadership and diffusion networks, this article introduces the constructs of simplicial diffusers (mathematically defined as nodes embedded in simplexes; a simplex is a socially bonded cluster) and simplicial diffusing sets (mathematically defined as minimal covers of a simplicial complex; a simplicial complex is a social aggregation in which socially bonded clusters are embedded) to propose a strategic approach for information diffusion of cancer screenings as a health intervention on Facebook for community cancer prevention and control. This approach is novel in its incorporation of interpersonally bonded clusters, culturally distinct subgroups, and different united social entities that coexist within a larger community into a computational simulation to select sets of simplicial diffusers with the highest degree of information diffusion for health intervention dissemination. The unique contributions of the article also include seven propositions and five algorithmic steps for computationally modeling the simplicial model with Facebook data.

Uncertainty Quantification of Turbulence Model Closure Coefficients for Transonic Wall-Bounded Flows

Science.gov (United States)

Schaefer, John; West, Thomas; Hosder, Serhat; Rumsey, Christopher; Carlson, Jan-Renee; Kleb, William

2015-01-01

The goal of this work was to quantify the uncertainty and sensitivity of commonly used turbulence models in Reynolds-Averaged Navier-Stokes codes due to uncertainty in the values of closure coefficients for transonic, wall-bounded flows and to rank the contribution of each coefficient to uncertainty in various output flow quantities of interest. Specifically, uncertainty quantification of turbulence model closure coefficients was performed for transonic flow over an axisymmetric bump at zero degrees angle of attack and the RAE 2822 transonic airfoil at a lift coefficient of 0.744. Three turbulence models were considered: the Spalart-Allmaras Model, Wilcox (2006) k-w Model, and the Menter Shear-Stress Trans- port Model. The FUN3D code developed by NASA Langley Research Center was used as the flow solver. The uncertainty quantification analysis employed stochastic expansions based on non-intrusive polynomial chaos as an efficient means of uncertainty propagation. Several integrated and point-quantities are considered as uncertain outputs for both CFD problems. All closure coefficients were treated as epistemic uncertain variables represented with intervals. Sobol indices were used to rank the relative contributions of each closure coefficient to the total uncertainty in the output quantities of interest. This study identified a number of closure coefficients for each turbulence model for which more information will reduce the amount of uncertainty in the output significantly for transonic, wall-bounded flows.

On Diffusive Climatological Models.

Science.gov (United States)

Griffel, D. H.; Drazin, P. G.

1981-11-01

A simple, zonally and annually averaged, energy-balance climatological model with diffusive heat transport and nonlinear albedo feedback is solved numerically. Some parameters of the model are varied, one by one, to find the resultant effects on the steady solution representing the climate. In particular, the outward radiation flux, the insulation distribution and the albedo parameterization are varied. We have found an accurate yet simple analytic expression for the mean annual insolation as a function of latitude and the obliquity of the Earth's rotation axis; this has enabled us to consider the effects of the oscillation of the obliquity. We have used a continuous albedo function which fits the observed values; it considerably reduces the sensitivity of the model. Climatic cycles, calculated by solving the time-dependent equation when parameters change slowly and periodically, are compared qualitatively with paleoclimatic records.

Spin-diffusions and diffusive molecular dynamics

Science.gov (United States)

Farmer, Brittan; Luskin, Mitchell; Plecháč, Petr; Simpson, Gideon

2017-12-01

Metastable configurations in condensed matter typically fluctuate about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of classical molecular dynamics (MD) methods and has spurned the development of a host of approximate algorithms. One recently proposed method is diffusive MD which aims at integrating a system of ordinary differential equations describing the likelihood of occupancy by one of two species, in the case of a binary alloy, while quasistatically evolving the locations of the atoms. While diffusive MD has shown itself to be efficient and provide agreement with observations, it is fundamentally a model, with unclear connections to classical MD. In this work, we formulate a spin-diffusion stochastic process and show how it can be connected to diffusive MD. The spin-diffusion model couples a classical overdamped Langevin equation to a kinetic Monte Carlo model for exchange amongst the species of a binary alloy. Under suitable assumptions and approximations, spin-diffusion can be shown to lead to diffusive MD type models. The key assumptions and approximations include a well-defined time scale separation, a choice of spin-exchange rates, a low temperature approximation, and a mean field type approximation. We derive several models from different assumptions and show their relationship to diffusive MD. Differences and similarities amongst the models are explored in a simple test problem.

Modeling the oxygen diffusion of nanocomposite-based food packaging films.

Science.gov (United States)

Bhunia, Kanishka; Dhawan, Sumeet; Sablani, Shyam S

2012-07-01

Polymer-layered silicate nanocomposites have been shown to improve the gas barrier properties of food packaging polymers. This study developed a computer simulation model using the commercial software, COMSOL Multiphysics to analyze changes in oxygen barrier properties in terms of relative diffusivity, as influenced by configuration and structural parameters that include volume fraction (φ), aspect ratio (α), intercalation width (W), and orientation angle (θ) of nanoparticles. The simulation was performed at different φ (1%, 3%, 5%, and 7%), α (50, 100, 500, and 1000), and W (1, 3, 5, and 7 nm). The θ value was varied from 0° to 85°. Results show that diffusivity decreases with increasing volume fraction, but beyond φ = 5% and α = 500, diffusivity remained almost constant at W values of 1 and 3 nm. Higher relative diffusivity coincided with increasing W and decreasing α value for the same volume fraction of nanoparticles. Diffusivity increased as the rotational angle increased, gradually diminishing the influence of nanoparticles. Diffusivity increased drastically as θ changed from 15° to 30° (relative increment in relative diffusivity was almost 3.5 times). Nanoparticles with exfoliation configuration exhibited better oxygen barrier properties compared to intercalation. The finite element model developed in this study provides insight into oxygen barrier properties for nanocomposite with a wide range of structural parameters. This model can be used to design and manufacture an ideal nanocomposite-based food packaging film with improved gas barrier properties for industrial applications. The model will assist in designing nanocomposite polymeric structures of desired gas barrier properties for food packaging applications. In addition, this study will be helpful in formulating a combination of nanoparticle structural parameters for designing nanocomposite membranes with selective permeability for the industrial applications including membrane

When mechanism matters: Bayesian forecasting using models of ecological diffusion

Science.gov (United States)

Hefley, Trevor J.; Hooten, Mevin B.; Russell, Robin E.; Walsh, Daniel P.; Powell, James A.

2017-01-01

Ecological diffusion is a theory that can be used to understand and forecast spatio-temporal processes such as dispersal, invasion, and the spread of disease. Hierarchical Bayesian modelling provides a framework to make statistical inference and probabilistic forecasts, using mechanistic ecological models. To illustrate, we show how hierarchical Bayesian models of ecological diffusion can be implemented for large data sets that are distributed densely across space and time. The hierarchical Bayesian approach is used to understand and forecast the growth and geographic spread in the prevalence of chronic wasting disease in white-tailed deer (Odocoileus virginianus). We compare statistical inference and forecasts from our hierarchical Bayesian model to phenomenological regression-based methods that are commonly used to analyse spatial occurrence data. The mechanistic statistical model based on ecological diffusion led to important ecological insights, obviated a commonly ignored type of collinearity, and was the most accurate method for forecasting.

Modeling pedestrian shopping behavior using principles of bounded rationality: model comparison and validation

Science.gov (United States)

Zhu, Wei; Timmermans, Harry

2011-06-01

Models of geographical choice behavior have been dominantly based on rational choice models, which assume that decision makers are utility-maximizers. Rational choice models may be less appropriate as behavioral models when modeling decisions in complex environments in which decision makers may simplify the decision problem using heuristics. Pedestrian behavior in shopping streets is an example. We therefore propose a modeling framework for pedestrian shopping behavior incorporating principles of bounded rationality. We extend three classical heuristic rules (conjunctive, disjunctive and lexicographic rule) by introducing threshold heterogeneity. The proposed models are implemented using data on pedestrian behavior in Wang Fujing Street, the city center of Beijing, China. The models are estimated and compared with multinomial logit models and mixed logit models. Results show that the heuristic models are the best for all the decisions that are modeled. Validation tests are carried out through multi-agent simulation by comparing simulated spatio-temporal agent behavior with the observed pedestrian behavior. The predictions of heuristic models are slightly better than those of the multinomial logit models.

Emergent low-energy bound states in the two-orbital Hubbard model

Science.gov (United States)

Núñez-Fernández, Y.; Kotliar, G.; Hallberg, K.

2018-03-01

A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the nonhybridized two-orbital Hubbard model with intra- (inter)orbital interaction U (U12) and different bandwidths using an improved dynamical mean-field theory numerical technique which leads to reliable spectra on the real energy axis directly at zero temperature. We find that a finite density of states at the Fermi energy in one band is correlated with the emergence of well-defined quasiparticle states at excited energies Δ =U -U12 in the other band. These excitations are interband holon-doublon bound states. At the symmetric point U =U12 , the quasiparticle peaks are located at the Fermi energy, leading to a simultaneous and continuous Mott transition settling a long-standing controversy.

Charge–mass ratio bound and optimization in the Parikh–Wilczek tunneling model of Hawking radiation

International Nuclear Information System (INIS)

Kim, Kyung Kiu; Wen, Wen-Yu

2014-01-01

In this Letter, we study the mutual information hidden in the Parikh–Wilczek tunneling model of Hawking radiation for Reissner–Nordström black holes. We argue that the condition of nonnegativity of mutual information suggests bound(s) for charge–mass ratio of emitted particles. We further view the radiation as an optimization process and discuss its effect on time evolution of a charged black hole.

Information-Theoretic Bounded Rationality and ε-Optimality

Directory of Open Access Journals (Sweden)

Daniel A. Braun

2014-08-01

Full Text Available Bounded rationality concerns the study of decision makers with limited information processing resources. Previously, the free energy difference functional has been suggested to model bounded rational decision making, as it provides a natural trade-off between an energy or utility function that is to be optimized and information processing costs that are measured by entropic search costs. The main question of this article is how the information-theoretic free energy model relates to simple ε-optimality models of bounded rational decision making, where the decision maker is satisfied with any action in an ε-neighborhood of the optimal utility. We find that the stochastic policies that optimize the free energy trade-off comply with the notion of ε-optimality. Moreover, this optimality criterion even holds when the environment is adversarial. We conclude that the study of bounded rationality based on ε-optimality criteria that abstract away from the particulars of the information processing constraints is compatible with the information-theoretic free energy model of bounded rationality.

Modeling information diffusion in time-varying community networks

Science.gov (United States)

Cui, Xuelian; Zhao, Narisa

2017-12-01

Social networks are rarely static, and they typically have time-varying network topologies. A great number of studies have modeled temporal networks and explored social contagion processes within these models; however, few of these studies have considered community structure variations. In this paper, we present a study of how the time-varying property of a modular structure influences the information dissemination. First, we propose a continuous-time Markov model of information diffusion where two parameters, mobility rate and community attractiveness, are introduced to address the time-varying nature of the community structure. The basic reproduction number is derived, and the accuracy of this model is evaluated by comparing the simulation and theoretical results. Furthermore, numerical results illustrate that generally both the mobility rate and community attractiveness significantly promote the information diffusion process, especially in the initial outbreak stage. Moreover, the strength of this promotion effect is much stronger when the modularity is higher. Counterintuitively, it is found that when all communities have the same attractiveness, social mobility no longer accelerates the diffusion process. In addition, we show that the local spreading in the advantage group has been greatly enhanced due to the agglomeration effect caused by the social mobility and community attractiveness difference, which thus increases the global spreading.

Diffusion theory model for optimization calculations of cold neutron sources

International Nuclear Information System (INIS)

Azmy, Y.Y.

1987-01-01

Cold neutron sources are becoming increasingly important and common experimental facilities made available at many research reactors around the world due to the high utility of cold neutrons in scattering experiments. The authors describe a simple two-group diffusion model of an infinite slab LD 2 cold source. The simplicity of the model permits to obtain an analytical solution from which one can deduce the reason for the optimum thickness based solely on diffusion-type phenomena. Also, a second more sophisticated model is described and the results compared to a deterministic transport calculation. The good (particularly qualitative) agreement between the results suggests that diffusion theory methods can be used in parametric and optimization studies to avoid the generally more expensive transport calculations

MHD diffuser model test program

Energy Technology Data Exchange (ETDEWEB)

Idzorek, J J

1976-07-01

Experimental results of the aerodynamic performance of seven candidate diffusers are presented to assist in determining their suitability for joining an MHD channel to a steam generator at minimum spacing. The three dimensional diffusers varied in area ratio from 2 to 3.8 and wall half angle from 2 to 5 degrees. The program consisted of five phases: (1) tailoring a diffuser inlet nozzle to a 15 percent blockage; (2) comparison of isolated diffusers at enthalpy ratios 0.5 to 1.0 with respect to separation characteristics and pressure recovery coefficients; (3) recording the optimum diffuser exit flow distribution; (4) recording the internal flow distribution within the steam generator when attached to the diffuser; and (5) observing isolated diffuser exhaust dynamic characteristics. The 2 and 2-1/3 degree half angle rectangular diffusers showed recovery coefficients equal to 0.48 with no evidence of flow separation or instability. Diffusion at angles greater than these produced flow instabilities and with angles greater than 3 degrees random flow separation and reattachment.

MHD diffuser model test program

International Nuclear Information System (INIS)

Idzorek, J.J.

1976-07-01

Experimental results of the aerodynamic performance of seven candidate diffusers are presented to assist in determining their suitability for joining an MHD channel to a steam generator at minimum spacing. The three dimensional diffusers varied in area ratio from 2 to 3.8 and wall half angle from 2 to 5 degrees. The program consisted of five phases: (1) tailoring a diffuser inlet nozzle to a 15 percent blockage; (2) comparison of isolated diffusers at enthalpy ratios 0.5 to 1.0 with respect to separation characteristics and pressure recovery coefficients; (3) recording the optimum diffuser exit flow distribution; (4) recording the internal flow distribution within the steam generator when attached to the diffuser; and (5) observing isolated diffuser exhaust dynamic characteristics. The 2 and 2-1/3 degree half angle rectangular diffusers showed recovery coefficients equal to 0.48 with no evidence of flow separation or instability. Diffusion at angles greater than these produced flow instabilities and with angles greater than 3 degrees random flow separation and reattachment

Remarks on Bousso's covariant entropy bound

CERN Document Server

Mayo, A E

2002-01-01

Bousso's covariant entropy bound is put to the test in the context of a non-singular cosmological solution of general relativity found by Bekenstein. Although the model complies with every assumption made in Bousso's original conjecture, the entropy bound is violated due to the occurrence of negative energy density associated with the interaction of some the matter components in the model. We demonstrate how this property allows for the test model to 'elude' a proof of Bousso's conjecture which was given recently by Flanagan, Marolf and Wald. This corroborates the view that the covariant entropy bound should be applied only to stable systems for which every matter component carries positive energy density.

Agent-based Modeling Automated: Data-driven Generation of Innovation Diffusion Models

NARCIS (Netherlands)

Jensen, T.; Chappin, E.J.L.

2016-01-01

Simulation modeling is useful to gain insights into driving mechanisms of diffusion of innovations. This study aims to introduce automation to make identification of such mechanisms with agent-based simulation modeling less costly in time and labor. We present a novel automation procedure in which

An interval-valued reliability model with bounded failure rates

DEFF Research Database (Denmark)

Kozine, Igor; Krymsky, Victor

2012-01-01

The approach to deriving interval-valued reliability measures described in this paper is distinctive from other imprecise reliability models in that it overcomes the issue of having to impose an upper bound on time to failure. It rests on the presupposition that a constant interval-valued failure...... rate is known possibly along with other reliability measures, precise or imprecise. The Lagrange method is used to solve the constrained optimization problem to derive new reliability measures of interest. The obtained results call for an exponential-wise approximation of failure probability density...

Free surface modelling with two-fluid model and reduced numerical diffusion of the interface

International Nuclear Information System (INIS)

Strubelj, Luka; Tiselj, Izrok

2008-01-01

Full text of publication follows: The free surface flows are successfully modelled with one of existing free surface models, such as: level set method, volume of fluid method (with/without surface reconstruction), front tracking, two-fluid model (two momentum equations) with modified interphase force and others. The main disadvantage of two-fluid model used for simulations of free surface flows is numerical diffusion of the interface, which can be significantly reduced using the method presented in this paper. Several techniques for reduction of numerical diffusion of the interface have been implemented in the volume of fluid model and are based on modified numerical schemes for advection of volume fraction near the interface. The same approach could be used also for two-fluid method, but according to our experience more successful reduction of numerical diffusion of the interface can be achieved with conservative level set method. Within the conservative level set method, continuity equation for volume fraction is solved and after that the numerical diffusion of the interface is reduced in such a way that the thickness of the interface is kept constant during the simulation. Reduction of the interface diffusion can be also called interface sharpening. In present paper the two-fluid model with interface sharpening is validated on Rayleigh-Taylor instability. Under assumptions of isothermal and incompressible flow of two immiscible fluids, we simulated a system with the fluid of higher density located above the fluid of smaller density in two dimensions. Due to gravity in the system, fluid with higher density moves below the fluid with smaller density. Initial condition is not a flat interface between the fluids, but a sine wave with small amplitude, which develops into a mushroom-like structure. Mushroom-like structure in simulation of Rayleigh-Taylor instability later develops to small droplets as result of numerical dispersion of interface (interface sharpening

Vacuum stability bounds in anomaly and gaugino mediated supersymmetry breaking models

International Nuclear Information System (INIS)

Gabrielli, Emidio; Huitu, Katri; Roy, Sourov

2002-01-01

We constrain the parameter space of the minimal and gaugino-assisted anomaly mediation, and gaugino mediation models by requiring that the electroweak vacuum corresponds to the deepest minimum of the scalar potential. In the framework of anomaly mediation models we find strong lower bounds on slepton and squark masses. In the gaugino mediation models the mass spectrum is forced to be at the TeV scale. We find extensive regions of the parameter space which are ruled out, even at low tanβ. The implications of these results on the g-2 of the muon are also analyzed

On estimating the effective diffusive properties of hardened cement pastes

International Nuclear Information System (INIS)

Stora, E.; Bary, B.; Stora, E.; He, Qi-Chang

2008-01-01

The effective diffusion coefficients of hardened cement pastes can vary between a few orders of magnitude. The paper aims at building a homogenization model to estimate these macroscopic diffusivities and capture such strong variations. For this purpose, a three-scale description of the paste is proposed, relying mainly on the fact that the initial cement grains hydrate forming a complex microstructure with a multi-scale pore structure. In particular, porosity is found to be well connected at a fine scale. However, only a few homogenization schemes are shown to be adequate to account for such connectivity. Among them, the mixed composite spheres assemblage estimate (Stora, E., He, Q.-C., Bary, B.: J. Appl. Phys. 100(8), 084910, 2006a) seems to be the only one that always complies with rigorous bounds and is consequently employed to predict the effects of this fine porosity on the material effective diffusivities. The model proposed provides predictions in good agreement with experimental results and is consistent with the numerous measurements of critical pore diameters issued from mercury intrusion porosimetry tests. The evolution of the effective diffusivities of cement pastes subjected to leaching is also assessed by adopting a simplified scenario of the decalcification process. (authors)

A model for self-diffusion of guanidinium-based ionic liquids: a molecular simulation study.

Science.gov (United States)

Klähn, Marco; Seduraman, Abirami; Wu, Ping

2008-11-06

We propose a novel self-diffusion model for ionic liquids on an atomic level of detail. The model is derived from molecular dynamics simulations of guanidinium-based ionic liquids (GILs) as a model case. The simulations are based on an empirical molecular mechanical force field, which has been developed in our preceding work, and it relies on the charge distribution in the actual liquid. The simulated GILs consist of acyclic and cyclic cations that were paired with nitrate and perchlorate anions. Self-diffusion coefficients are calculated at different temperatures from which diffusive activation energies between 32-40 kJ/mol are derived. Vaporization enthalpies between 174-212 kJ/mol are calculated, and their strong connection with diffusive activation energies is demonstrated. An observed formation of cavities in GILs of up to 6.5% of the total volume does not facilitate self-diffusion. Instead, the diffusion of ions is found to be determined primarily by interactions with their immediate environment via electrostatic attraction between cation hydrogen and anion oxygen atoms. The calculated average time between single diffusive transitions varies between 58-107 ps and determines the speed of diffusion, in contrast to diffusive displacement distances, which were found to be similar in all simulated GILs. All simulations indicate that ions diffuse by using a brachiation type of movement: a diffusive transition is initiated by cleaving close contacts to a coordinated counterion, after which the ion diffuses only about 2 A until new close contacts are formed with another counterion in its vicinity. The proposed diffusion model links all calculated energetic and dynamic properties of GILs consistently and explains their molecular origin. The validity of the model is confirmed by providing an explanation for the variation of measured ratios of self-diffusion coefficients of cations and paired anions over a wide range of values, encompassing various ionic liquid classes

Modeling and experiments for the time-dependent diffusion coefficient during methane desorption from coal

Science.gov (United States)

Cheng-Wu, Li; Hong-Lai, Xue; Cheng, Guan; Wen-biao, Liu

2018-04-01

Statistical analysis shows that in the coal matrix, the diffusion coefficient for methane is time-varying, and its integral satisfies the formula μt κ /(1 + β κ ). Therefore, a so-called dynamic diffusion coefficient model (DDC model) is developed. To verify the suitability and accuracy of the DDC model, a series of gas diffusion experiments were conducted using coal particles of different sizes. The results show that the experimental data can be accurately described by the DDC and bidisperse models, but the fit to the DDC model is slightly better. For all coal samples, as time increases, the effective diffusion coefficient first shows a sudden drop, followed by a gradual decrease before stabilizing at longer times. The effective diffusion coefficient has a negative relationship with the size of the coal particle. Finally, the relationship between the constants of the DDC model and the effective diffusion coefficient is discussed. The constant α (μ/R 2 ) denotes the effective coefficient at the initial time, and the constants κ and β control the attenuation characteristic of the effective diffusion coefficient.

Bound state solution of the Grassmannian nonlinear sigma model with fermions

International Nuclear Information System (INIS)

Abdalla, E.; Lima-Santos, A.

1987-11-01

We construct the s matrix for bound state (gauge-invariant) scattering for nonlinear sigma models defined on the manifold SU(N)/S(U(p)x (lower casex)U(n-p)) with fermions. It is not possible to compute gauge non-singlet matrix elements. In the present language they are not submitted to sufficiently many constraints derived from higher conservation laws. (author) [pt

Fractional Diffusion Equations and Anomalous Diffusion

Science.gov (United States)

Evangelista, Luiz Roberto; Kaminski Lenzi, Ervin

2018-01-01

Preface; 1. Mathematical preliminaries; 2. A survey of the fractional calculus; 3. From normal to anomalous diffusion; 4. Fractional diffusion equations: elementary applications; 5. Fractional diffusion equations: surface effects; 6. Fractional nonlinear diffusion equation; 7. Anomalous diffusion: anisotropic case; 8. Fractional Schrödinger equations; 9. Anomalous diffusion and impedance spectroscopy; 10. The Poisson–Nernst–Planck anomalous (PNPA) models; References; Index.

Global stability and pattern formation in a nonlocal diffusive Lotka-Volterra competition model

Science.gov (United States)

Ni, Wenjie; Shi, Junping; Wang, Mingxin

2018-06-01

A diffusive Lotka-Volterra competition model with nonlocal intraspecific and interspecific competition between species is formulated and analyzed. The nonlocal competition strength is assumed to be determined by a diffusion kernel function to model the movement pattern of the biological species. It is shown that when there is no nonlocal intraspecific competition, the dynamics properties of nonlocal diffusive competition problem are similar to those of classical diffusive Lotka-Volterra competition model regardless of the strength of nonlocal interspecific competition. Global stability of nonnegative constant equilibria are proved using Lyapunov or upper-lower solution methods. On the other hand, strong nonlocal intraspecific competition increases the system spatiotemporal dynamic complexity. For the weak competition case, the nonlocal diffusive competition model may possess nonconstant positive equilibria for some suitably large nonlocal intraspecific competition coefficients.

Kumaraswamy autoregressive moving average models for double bounded environmental data

Science.gov (United States)

Bayer, Fábio Mariano; Bayer, Débora Missio; Pumi, Guilherme

2017-12-01

In this paper we introduce the Kumaraswamy autoregressive moving average models (KARMA), which is a dynamic class of models for time series taking values in the double bounded interval (a,b) following the Kumaraswamy distribution. The Kumaraswamy family of distribution is widely applied in many areas, especially hydrology and related fields. Classical examples are time series representing rates and proportions observed over time. In the proposed KARMA model, the median is modeled by a dynamic structure containing autoregressive and moving average terms, time-varying regressors, unknown parameters and a link function. We introduce the new class of models and discuss conditional maximum likelihood estimation, hypothesis testing inference, diagnostic analysis and forecasting. In particular, we provide closed-form expressions for the conditional score vector and conditional Fisher information matrix. An application to environmental real data is presented and discussed.

Coupling between diffusion and orientation of pentacene molecules on an organic surface.

Science.gov (United States)

Rotter, Paul; Lechner, Barbara A J; Morherr, Antonia; Chisnall, David M; Ward, David J; Jardine, Andrew P; Ellis, John; Allison, William; Eckhardt, Bruno; Witte, Gregor

2016-04-01

The realization of efficient organic electronic devices requires the controlled preparation of molecular thin films and heterostructures. As top-down structuring methods such as lithography cannot be applied to van der Waals bound materials, surface diffusion becomes a structure-determining factor that requires microscopic understanding. Scanning probe techniques provide atomic resolution, but are limited to observations of slow movements, and therefore constrained to low temperatures. In contrast, the helium-3 spin-echo (HeSE) technique achieves spatial and time resolution on the nm and ps scale, respectively, thus enabling measurements at elevated temperatures. Here we use HeSE to unveil the intricate motion of pentacene admolecules diffusing on a chemisorbed monolayer of pentacene on Cu(110) that serves as a stable, well-ordered organic model surface. We find that pentacene moves along rails parallel and perpendicular to the surface molecules. The experimental data are explained by admolecule rotation that enables a switching between diffusion directions, which extends our molecular level understanding of diffusion in complex organic systems.

Opinion formation and distribution in a bounded-confidence model on various networks

Science.gov (United States)

Meng, X. Flora; Van Gorder, Robert A.; Porter, Mason A.

2018-02-01

In the social, behavioral, and economic sciences, it is important to predict which individual opinions eventually dominate in a large population, whether there will be a consensus, and how long it takes for a consensus to form. Such ideas have been studied heavily both in physics and in other disciplines, and the answers depend strongly both on how one models opinions and on the network structure on which opinions evolve. One model that was created to study consensus formation quantitatively is the Deffuant model, in which the opinion distribution of a population evolves via sequential random pairwise encounters. To consider heterogeneity of interactions in a population along with social influence, we study the Deffuant model on various network structures (deterministic synthetic networks, random synthetic networks, and social networks constructed from Facebook data). We numerically simulate the Deffuant model and conduct regression analyses to investigate the dependence of the time to reach steady states on various model parameters, including a confidence bound for opinion updates, the number of participating entities, and their willingness to compromise. We find that network structure and parameter values both have important effects on the convergence time and the number of steady-state opinion groups. For some network architectures, we observe that the relationship between the convergence time and model parameters undergoes a transition at a critical value of the confidence bound. For some networks, the steady-state opinion distribution also changes from consensus to multiple opinion groups at this critical value.

Pattern Formation in Predator-Prey Model with Delay and Cross Diffusion

Directory of Open Access Journals (Sweden)

Xinze Lian

2013-01-01

Full Text Available We consider the effect of time delay and cross diffusion on the dynamics of a modified Leslie-Gower predator-prey model incorporating a prey refuge. Based on the stability analysis, we demonstrate that delayed feedback may generate Hopf and Turing instability under some conditions, resulting in spatial patterns. One of the most interesting findings is that the model exhibits complex pattern replication: the model dynamics exhibits a delay and diffusion controlled formation growth not only to spots, stripes, and holes, but also to spiral pattern self-replication. The results indicate that time delay and cross diffusion play important roles in pattern formation.

A Nonlinear Diffusion Equation-Based Model for Ultrasound Speckle Noise Removal

Science.gov (United States)

Zhou, Zhenyu; Guo, Zhichang; Zhang, Dazhi; Wu, Boying

2018-04-01

Ultrasound images are contaminated by speckle noise, which brings difficulties in further image analysis and clinical diagnosis. In this paper, we address this problem in the view of nonlinear diffusion equation theories. We develop a nonlinear diffusion equation-based model by taking into account not only the gradient information of the image, but also the information of the gray levels of the image. By utilizing the region indicator as the variable exponent, we can adaptively control the diffusion type which alternates between the Perona-Malik diffusion and the Charbonnier diffusion according to the image gray levels. Furthermore, we analyze the proposed model with respect to the theoretical and numerical properties. Experiments show that the proposed method achieves much better speckle suppression and edge preservation when compared with the traditional despeckling methods, especially in the low gray level and low-contrast regions.

Statistical validation of engineering and scientific models : bounds, calibration, and extrapolation.

Energy Technology Data Exchange (ETDEWEB)

Dowding, Kevin J.; Hills, Richard Guy (New Mexico State University, Las Cruces, NM)

2005-04-01

Numerical models of complex phenomena often contain approximations due to our inability to fully model the underlying physics, the excessive computational resources required to fully resolve the physics, the need to calibrate constitutive models, or in some cases, our ability to only bound behavior. Here we illustrate the relationship between approximation, calibration, extrapolation, and model validation through a series of examples that use the linear transient convective/dispersion equation to represent the nonlinear behavior of Burgers equation. While the use of these models represents a simplification relative to the types of systems we normally address in engineering and science, the present examples do support the tutorial nature of this document without obscuring the basic issues presented with unnecessarily complex models.

Scaling Limits and Generic Bounds for Exploration Processes

Science.gov (United States)

Bermolen, Paola; Jonckheere, Matthieu; Sanders, Jaron

2017-12-01

We consider exploration algorithms of the random sequential adsorption type both for homogeneous random graphs and random geometric graphs based on spatial Poisson processes. At each step, a vertex of the graph becomes active and its neighboring nodes become blocked. Given an initial number of vertices N growing to infinity, we study statistical properties of the proportion of explored (active or blocked) nodes in time using scaling limits. We obtain exact limits for homogeneous graphs and prove an explicit central limit theorem for the final proportion of active nodes, known as the jamming constant, through a diffusion approximation for the exploration process which can be described as a unidimensional process. We then focus on bounding the trajectories of such exploration processes on random geometric graphs, i.e., random sequential adsorption. As opposed to exploration processes on homogeneous random graphs, these do not allow for such a dimensional reduction. Instead we derive a fundamental relationship between the number of explored nodes and the discovered volume in the spatial process, and we obtain generic bounds for the fluid limit and jamming constant: bounds that are independent of the dimension of space and the detailed shape of the volume associated to the discovered node. Lastly, using coupling techinques, we give trajectorial interpretations of the generic bounds.

Energy diffusion and the butterfly effect in inhomogeneous Sachdev-Ye-Kitaev chains

Directory of Open Access Journals (Sweden)

Yingfei Gu, Andrew Lucas, Xiao-Liang Qi

2017-05-01

Full Text Available We compute the energy diffusion constant $D$, Lyapunov time $\\tau_{\\text{L}}$ and butterfly velocity $v_{\\text{B}}$ in an inhomogeneous chain of coupled Majorana Sachdev-Ye-Kitaev (SYK models in the large $N$ and strong coupling limit. We find $D\\le v_{\\text{B}}^2 \\tau_{\\text{L}}$ from a combination of analytical and numerical approaches. Our example necessitates the sharpening of postulated transport bounds based on quantum chaos.

Diffusion trajectory of self-propagating innovations interacting with institutions-incorporation of multi-factors learning function to model PV diffusion in Japan

International Nuclear Information System (INIS)

Nagamatsu, Akira; Watanabe, Chihiro; Shum, Kwok L.

2006-01-01

This paper first proposes a modeling framework to study diffusion of innovations which exhibit strong interaction with the institution systems across which they diffuse. A unique character of such generic innovation is that specific applications are continually developed during its diffusion. This self-propagation in continual applications generation, which is dependent upon the cumulative installed base of the technological innovation, can be modeled to lead to a dynamic changing carrying capacity in an otherwise simple logistic diffusion curve. The cumulative installed base is dependent upon the price of technology and the cost learning dynamics. This paper utilizes a multi-factors learning function to represent such learning dynamics. Empirical estimates from our model are compared with those from other logistics curve formulations and are shown to better fit the annual PV production data during the past quarter century in the case of Japan. The very fact that the potential of this class of innovation can be leveraged only if it interacts closely with the institution highlights the importance of institutional determinants of adoption and diffusion of such innovations like PV. We therefore attempt to put forward an institutional framework, based on viewing PV as a technology platform, to consider PV diffusion beyond mathematical and empirical modeling. Some future research directions are also proposed. (author)

Gaussian and Affine Approximation of Stochastic Diffusion Models for Interest and Mortality Rates

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Marcus C. Christiansen

2013-10-01

Full Text Available In the actuarial literature, it has become common practice to model future capital returns and mortality rates stochastically in order to capture market risk and forecasting risk. Although interest rates often should and mortality rates always have to be non-negative, many authors use stochastic diffusion models with an affine drift term and additive noise. As a result, the diffusion process is Gaussian and, thus, analytically tractable, but negative values occur with positive probability. The argument is that the class of Gaussian diffusions would be a good approximation of the real future development. We challenge that reasoning and study the asymptotics of diffusion processes with affine drift and a general noise term with corresponding diffusion processes with an affine drift term and an affine noise term or additive noise. Our study helps to quantify the error that is made by approximating diffusive interest and mortality rate models with Gaussian diffusions and affine diffusions. In particular, we discuss forward interest and forward mortality rates and the error that approximations cause on the valuation of life insurance claims.

An axisymmetric non-hydrostatic model for double-diffusive water systems

Science.gov (United States)

Hilgersom, Koen; Zijlema, Marcel; van de Giesen, Nick

2018-02-01

The three-dimensional (3-D) modelling of water systems involving double-diffusive processes is challenging due to the large computation times required to solve the flow and transport of constituents. In 3-D systems that approach axisymmetry around a central location, computation times can be reduced by applying a 2-D axisymmetric model set-up. This article applies the Reynolds-averaged Navier-Stokes equations described in cylindrical coordinates and integrates them to guarantee mass and momentum conservation. The discretized equations are presented in a way that a Cartesian finite-volume model can be easily extended to the developed framework, which is demonstrated by the implementation into a non-hydrostatic free-surface flow model. This model employs temperature- and salinity-dependent densities, molecular diffusivities, and kinematic viscosity. One quantitative case study, based on an analytical solution derived for the radial expansion of a dense water layer, and two qualitative case studies demonstrate a good behaviour of the model for seepage inflows with contrasting salinities and temperatures. Four case studies with respect to double-diffusive processes in a stratified water body demonstrate that turbulent flows are not yet correctly modelled near the interfaces and that an advanced turbulence model is required.

Anomalous diffusion in a symbolic model

International Nuclear Information System (INIS)

Ribeiro, H V; Lenzi, E K; Mendes, R S; Santoro, P A

2011-01-01

In this work, we investigate some statistical properties of symbolic sequences generated by a numerical procedure in which the symbols are repeated following the power-law probability density. In this analysis, we consider that the sum of n symbols represents the position of a particle in erratic movement. This approach reveals a rich diffusive scenario characterized by non-Gaussian distribution and, depending on the power-law exponent or the procedure used to build the walker, we may have superdiffusion, subdiffusion or usual diffusion. Additionally, we use the continuous-time random walk framework to compare the analytic results with the numerical data, thereby finding good agreement. Because of its simplicity and flexibility, this model can be a candidate for describing real systems governed by power-law probability densities.

Transient response in granular bounded heap flows

Science.gov (United States)

Xiao, Hongyi; Ottino, Julio M.; Lueptow, Richard M.; Umbanhowar, Paul B.

2017-11-01

Heap formation, a canonical granular flow, is common in industry and is also found in nature. Here, we study the transition between steady flow states in quasi-2D bounded heaps by suddenly changing the feed rate from one fixed value to another. During the transition, in both experiments and discrete element method simulations, an additional wedge of flowing particles propagates over the rising free surface. The downstream edge of the wedge - the wedge front - moves downstream with velocity inversely proportional to the square root of time. An additional longer duration transient process continues after the wedge front reaches the downstream wall. The transient flux profile during the entire transition is well modeled by a diffusion-like equation derived from local mass balance and a local linear relation between the flux and the surface slope. Scalings for the transient kinematics during the flow transitions are developed based on the flux profiles. Funded by NSF Grant CBET-1511450.

Turing instability for a competitor-competitor-mutualist model with nonlinear cross-diffusion effects

International Nuclear Information System (INIS)

Wen, Zijuan; Fu, Shengmao

2016-01-01

This paper deals with a strongly coupled reaction-diffusion system modeling a competitor-competitor-mutualist three-species model with diffusion, self-diffusion and nonlinear cross-diffusion and subject to Neumann boundary conditions. First, we establish the persistence of a corresponding reaction-diffusion system without self- and cross-diffusion. Second, the global asymptotic stability of the unique positive equilibrium for weakly coupled PDE system is established by using a comparison method. Moreover, under certain conditions about the intra- and inter-species effects, we prove that the uniform positive steady state is linearly unstable for the cross-diffusion system when one of the cross-diffusions is large enough. The results indicate that Turing instability can be driven solely from strong diffusion effect of the first species (or the second species or the third species) due to the pressure of the second species (or the first species).

The brush model - a new approach to numerical modeling of matrix diffusion in fractured clay stone

International Nuclear Information System (INIS)

Lege, T.; Shao, H.

1998-01-01

A special approach for numerical modeling of contaminant transport in fractured clay stone is presented. The rock matrix and the fractures are simulated with individual formulations for FE grids and transport, coupled into a single model. The capacity of the rock matrix to take up contaminants is taken into consideration with a discrete simulation of matrix diffusion. Thus, the natural process of retardation due to matrix diffusion can be better simulated than by a standard introduction of an empirical parameter into the transport equation. Transport in groundwater in fractured clay stone can be simulated using a model called a 'brush model'. The 'brush handle' is discretized by 2-D finite elements. Advective-dispersive transport in groundwater in the fractures is assumed. The contaminant diffuses into 1D finite elements perpendicular to the fractures, i.e., the 'bristles of the brush'. The conclusion is drawn that matrix diffusion is an important property of fractured clay stone for contaminant retardation. (author)

A gauge model describing N relativistic particles bound by linear forces

International Nuclear Information System (INIS)

Filippov, A.T.

1988-01-01

A relativistic model of N particles bound by linear forces is obtained by applying the gauging procedure to the linear canonical symmteries of a simple (rudimentary) nonrelativistic N-particle Lagrangian extended to relativistic phase space. The new (gauged) Lagrangian is formally Poincare invariant, the Hamiltonian is a linear combination of first-class constraints which are closed with respect to Pisson brackets and generate the localized canonical symmteries. The gauge potentials appear as the Lagrange multipliers of the constraints. Gauge fixing and quantization of the model are also briefly discussed. 11 refs

Diffusion properties of a guiding center plasma in a model electrostatic turbulence

International Nuclear Information System (INIS)

Pettini, M.; Vulpiani, A.; Misguich, J.H.; Balescu, R.; De Leener, M.; Orban, J.

1986-01-01

Numerical simulations have been performed to calculate the diffusion coefficient of several hundreds of charged particles across a strong magnetic field B, due to a known spectrum of electrostatic fluctuations. The results have been compared with the turbulent diffusion theory proposed by Misguich et al. The equation of motion is solved with a model electrostatic potential. This potential is also the Hamiltonian of this chaotic non-autonomous system: positive Lyapunov exponents are found in qualitative agreement with theoretical predictions. The absolute diffusion coefficients found in two different models exhibit a transition between two scaling regions: a classical scaling at low amplitudes (D ∼ E 2 /B 2 ), and a Bohm scaling at higher amplitudes (D ∼ E/B), in agreement with the predictions for these models. The value of the diffusion coefficient obtained in the isotropic model shows a satisfactory agreement with the theory. The study of the relative diffusion of initially close particles yields a clear quantitative confirmation of the clump effect and of the validity of the theoretical treatment of such nonlinearities. (26 fig, 20 refs)

Two dimensional finite element modelling for dynamic water diffusion through stratum corneum.

Science.gov (United States)

Xiao, Perry; Imhof, Robert E

2012-10-01

Solvents penetration through in vivo human stratum corneum (SC) has always been an interesting research area for trans-dermal drug delivery studies, and the importance of intercellular routes (diffuse in between corneocytes) and transcellular routes (diffuse through corneocytes) during diffusion is often debatable. In this paper, we have developed a two dimensional finite element model to simulate the dynamic water diffusion through the SC. It is based on the brick-and-mortar model, with brick represents corneocytes and mortar represents lipids, respectively. It simulates the dynamic water diffusion process through the SC from pre-defined initial conditions and boundary conditions. Although the simulation is based on water diffusions, the principles can also be applied to the diffusions of other topical applied substances. The simulation results show that both intercellular routes and transcellular routes are important for water diffusion. Although intercellular routes have higher flux rates, most of the water still diffuse through transcellular routes because of the high cross area ratio of corneocytes and lipids. The diffusion water flux, or trans-epidermal water loss (TEWL), is reversely proportional to corneocyte size, i.e. the larger the corneocyte size, the lower the TEWL, and vice versa. There is also an effect of the SC thickness, external air conditions and diffusion coefficients on the water diffusion through SC on the resulting TEWL. Copyright © 2012 Elsevier B.V. All rights reserved.

Preliminary Hybrid Modeling of the Panama Canal: Operations and Salinity Diffusion

Directory of Open Access Journals (Sweden)

Luis Rabelo

2012-01-01

Full Text Available This paper deals with the initial modeling of water salinity and its diffusion into the lakes during lock operation on the Panama Canal. A hybrid operational model was implemented using the AnyLogic software simulation environment. This was accomplished by generating an operational discrete-event simulation model and a continuous simulation model based on differential equations, which modeled the salinity diffusion in the lakes. This paper presents that unique application and includes the effective integration of lock operations and its impact on the environment.

Soft tissue deformation modelling through neural dynamics-based reaction-diffusion mechanics.

Science.gov (United States)

Zhang, Jinao; Zhong, Yongmin; Gu, Chengfan

2018-05-30

Soft tissue deformation modelling forms the basis of development of surgical simulation, surgical planning and robotic-assisted minimally invasive surgery. This paper presents a new methodology for modelling of soft tissue deformation based on reaction-diffusion mechanics via neural dynamics. The potential energy stored in soft tissues due to a mechanical load to deform tissues away from their rest state is treated as the equivalent transmembrane potential energy, and it is distributed in the tissue masses in the manner of reaction-diffusion propagation of nonlinear electrical waves. The reaction-diffusion propagation of mechanical potential energy and nonrigid mechanics of motion are combined to model soft tissue deformation and its dynamics, both of which are further formulated as the dynamics of cellular neural networks to achieve real-time computational performance. The proposed methodology is implemented with a haptic device for interactive soft tissue deformation with force feedback. Experimental results demonstrate that the proposed methodology exhibits nonlinear force-displacement relationship for nonlinear soft tissue deformation. Homogeneous, anisotropic and heterogeneous soft tissue material properties can be modelled through the inherent physical properties of mass points. Graphical abstract Soft tissue deformation modelling with haptic feedback via neural dynamics-based reaction-diffusion mechanics.

Two-state random walk model of lattice diffusion - 1. Self-correlation function

International Nuclear Information System (INIS)

Balakrishnan, V.; Venkataraman, G.

1981-01-01

Diffusion with interruptions (arising from localized oscillations, or traps, or mixing between jump diffusion and fluid-like diffusion, etc.) is a very general phenomenon. Its manifestations range from superionic conductance to the behaviour of hydrogen in metals. Based on a continuous-time random walk approach, we present a comprehensive two-state random walk model for the diffusion of a particle on a lattice, incorporating arbitrary holding-time distributions for both localized residence at the sites and inter-site flights, and also the correct first-waiting-time distributions. A synthesis is thus achieved of the two extremes of jump diffusion (zero flight time) and fluid-like diffusion (zero residence time). Various earlier models emerge as special cases of our theory. Among the noteworthy results obtained are: closed-form solutions (in d dimensions, and with arbitrary directional bias) for temporarily uncorrelated jump diffusion and for the fluid diffusion counterpart; a compact, general formula for the mean square displacement; the effects of a continuous spectrum of time scales in the holding-time distributions, etc. The dynamic mobility and the structure factor for 'oscillatory diffusion' are taken up in part 2. (author)

Diffusion archeology for diffusion progression history reconstruction.

Science.gov (United States)

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.

Microstructural changes in ischemic cortical gray matter predicted by a model of diffusion-weighted MRI.

Science.gov (United States)

Vestergaard-Poulsen, Peter; Hansen, Brian; Ostergaard, Leif; Jakobsen, Rikke

2007-09-01

To understand the diffusion attenuated MR signal from normal and ischemic brain tissue in order to extract structural and physiological information using mathematical modeling, taking into account the transverse relaxation rates in gray matter. We fit our diffusion model to the diffusion-weighted MR signal obtained from cortical gray matter in healthy subjects. Our model includes variable volume fractions, intracellular restriction effects, and exchange between compartments in addition to individual diffusion coefficients and transverse relaxation rates for each compartment. A global optimum was found from a wide range of parameter permutations using cluster computing. We also present simulations of cell swelling and changes of exchange rate and intracellular diffusion as possible cellular mechanisms in ischemia. Our model estimates an extracellular volume fraction of 0.19 in accordance with the accepted value from histology. The absolute apparent diffusion coefficient obtained from the model was similar to that of experiments. The model and the experimental results indicate significant differences in diffusion and transverse relaxation between the tissue compartments and slow water exchange. Our model reproduces the signal changes observed in ischemia via physiologically credible mechanisms. Our modeling suggests that transverse relaxation has a profound influence on the diffusion attenuated MR signal. Our simulations indicate cell swelling as the primary cause of the diffusion changes seen in the acute phase of brain ischemia. (c) 2007 Wiley-Liss, Inc.

Simulation bounds for system availability

International Nuclear Information System (INIS)

Tietjen, G.L.; Waller, R.A.

1976-01-01

System availability is a dominant factor in the practicality of nuclear power electrical generating plants. A proposed model for obtaining either lower bounds or interval estimates on availability uses observed data on ''n'' failure-to-repair cycles of the system to estimate the parameters in the time-to-failure and time-to-repair models. These estimates are then used in simulating failure/repair cycles of the system. The availability estimate is obtained for each of 5000 samples of ''n'' failure/repair cycles to form a distribution of estimates. Specific percentile points of those simulated distributions are selected as lower simulation bounds or simulation interval bounds for the system availability. The method is illustrated with operational data from two nuclear plants for which an exponential time-to-failure and a lognormal time-to-repair are assumed

The bound state problem and quark confinement

International Nuclear Information System (INIS)

Chaichian, M.; Demichev, A.P.; Nelipa, N.F.

1980-01-01

A quantum field-theoretic model in which quark is confined is considered. System of equations for the Green functions of colour singlet and octet bound states is obtained. The method is based on the nonperturbative Schwinger-Dyson equations with the use of Slavnov-Taylor identities. It is shown that in the framework of the model if there exist singlet, then also exist octet bound states of the quark-antiquark system. Thus in general, confinement of free quarks does not mean absence of their coloured bound states. (author)

Predicting the weathering of fuel and oil spills: A diffusion-limited evaporation model.

Science.gov (United States)

Kotzakoulakis, Konstantinos; George, Simon C

2018-01-01

The majority of the evaporation models currently available in the literature for the prediction of oil spill weathering do not take into account diffusion-limited mass transport and the formation of a concentration gradient in the oil phase. The altered surface concentration of the spill caused by diffusion-limited transport leads to a slower evaporation rate compared to the predictions of diffusion-agnostic evaporation models. The model presented in this study incorporates a diffusive layer in the oil phase and predicts the diffusion-limited evaporation rate. The information required is the composition of the fluid from gas chromatography or alternatively the distillation data. If the density or a single viscosity measurement is available the accuracy of the predictions is higher. Environmental conditions such as water temperature, air pressure and wind velocity are taken into account. The model was tested with synthetic mixtures, petroleum fuels and crude oils with initial viscosities ranging from 2 to 13,000 cSt. The tested temperatures varied from 0 °C to 23.4 °C and wind velocities from 0.3 to 3.8 m/s. The average absolute deviation (AAD) of the diffusion-limited model ranged between 1.62% and 24.87%. In comparison, the AAD of a diffusion-agnostic model ranged between 2.34% and 136.62% against the same tested fluids. Copyright © 2017 Elsevier Ltd. All rights reserved.

Global Existence Analysis of Cross-Diffusion Population Systems for Multiple Species

Science.gov (United States)

Chen, Xiuqing; Daus, Esther S.; Jüngel, Ansgar

2018-02-01

The existence of global-in-time weak solutions to reaction-cross-diffusion systems for an arbitrary number of competing population species is proved. The equations can be derived from an on-lattice random-walk model with general transition rates. In the case of linear transition rates, it extends the two-species population model of Shigesada, Kawasaki, and Teramoto. The equations are considered in a bounded domain with homogeneous Neumann boundary conditions. The existence proof is based on a refined entropy method and a new approximation scheme. Global existence follows under a detailed balance or weak cross-diffusion condition. The detailed balance condition is related to the symmetry of the mobility matrix, which mirrors Onsager's principle in thermodynamics. Under detailed balance (and without reaction) the entropy is nonincreasing in time, but counter-examples show that the entropy may increase initially if detailed balance does not hold.

Sooting Characteristics and Modeling in Counterflow Diffusion Flames

KAUST Repository

Wang, Yu

2013-11-01

Soot formation is one of the most complex phenomena in combustion science and an understanding of the underlying physico-chemical mechanisms is important. This work adopted both experimental and numerical approaches to study soot formation in laminar counterfl ow diffusion flames. As polycyclic aromatic hydrocarbons (PAHs) are the precursors of soot particles, a detailed gas-phase chemical mechanism describing PAH growth upto coronene for fuels with 1 to 4 carbon atoms was validated against laminar premixed and counter- flow diffusion fl ames. Built upon this gas-phase mechanism, a soot model was then developed to describe soot inception and surface growth. This soot model was sub- sequently used to study fuel mixing effect on soot formation in counterfl ow diffusion flames. Simulation results showed that compared to the baseline case of the ethylene flame, the doping of 5% (by volume) propane or ethane in ethylene tends to increase the soot volume fraction and number density while keeping the average soot size almost unchanged. These results are in agreement with experimental observations. Laser light extinction/scattering as well as laser induced fluorescence techniques were used to study the effect of strain rate on soot and PAH formation in counterfl ow diffusion ames. The results showed that as strain rate increased both soot volume fraction and PAH concentrations decreased. The concentrations of larger PAH were more sensitive to strain rate compared to smaller ones. The effect of CO2 addition on soot formation was also studied using similar experimental techniques. Soot loading was reduced with CO2 dilution. Subsequent numerical modeling studies were able to reproduce the experimental trend. In addition, the chemical effect of CO2 addition was analyzed using numerical data. Critical conditions for the onset of soot were systematically studied in counterfl ow diffusion ames for various gaseous hydrocarbon fuels and at different strain rates. A sooting

Theoretical model estimation of guest diffusion in Metal-Organic Frameworks (MOFs)

KAUST Repository

Zheng, Bin

2015-08-11

Characterizing molecule diffusion in nanoporous matrices is critical to understanding the novel chemical and physical properties of metal-organic frameworks (MOFs). In this paper, we developed a theoretical model to fastly and accurately compute the diffusion rate of guest molecules in a zeolitic imidazolate framework-8 (ZIF-8). The ideal gas or equilibrium solution diffusion model was modified to contain the effect of periodical media via introducing the possibility of guests passing through the framework gate. The only input in our model is the energy barrier of guests passing through the MOF’s gate. Molecular dynamics (MD) methods were employed to gather the guest density profile, which then was used to deduce the energy barrier values. This produced reliable results that require a simulation time of 5 picoseconds, which is much shorter when using pure MD methods (in the billisecond scale) . Also, we used density functional theory (DFT) methods to obtain the energy profile of guests passing through gates, as this does not require specification of a force field for the MOF degrees of freedom. In the DFT calculation, we only considered one gate of MOFs each time; as this greatly reduced the computational cost. Based on the obtained energy barrier values we computed the diffusion rate of alkane and alcohol in ZIF-8 using our model, which was in good agreement with experimental test results and the calculation values from standard MD model. Our model shows the advantage of obtaining accurate diffusion rates for guests in MOFs for a lower computational cost and shorter calculation time. Thus, our analytic model calculation is especially attractive for high-throughput computational screening of the dynamic performance of guests in a framework.

Putting atomic diffusion theory of magnetic ApBp stars to the test: evaluation of the predictions of time-dependent diffusion models

Science.gov (United States)

Kochukhov, O.; Ryabchikova, T. A.

2018-02-01

A series of recent theoretical atomic diffusion studies has address the challenging problem of predicting inhomogeneous vertical and horizontal chemical element distributions in the atmospheres of magnetic ApBp stars. Here we critically assess the most sophisticated of such diffusion models - based on a time-dependent treatment of the atomic diffusion in a magnetized stellar atmosphere - by direct comparison with observations as well by testing the widely used surface mapping tools with the spectral line profiles predicted by this theory. We show that the mean abundances of Fe and Cr are grossly underestimated by the time-dependent theoretical diffusion model, with discrepancies reaching a factor of 1000 for Cr. We also demonstrate that Doppler imaging inversion codes, based either on modelling of individual metal lines or line-averaged profiles simulated according to theoretical three-dimensional abundance distribution, are able to reconstruct correct horizontal chemical spot maps despite ignoring the vertical abundance variation. These numerical experiments justify a direct comparison of the empirical two-dimensional Doppler maps with theoretical diffusion calculations. This comparison is generally unfavourable for the current diffusion theory, as very few chemical elements are observed to form overabundance rings in the horizontal field regions as predicted by the theory and there are numerous examples of element accumulations in the vicinity of radial field zones, which cannot be explained by diffusion calculations.

Diffusing diffusivity: Rotational diffusion in two and three dimensions

Science.gov (United States)

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.

Diffusion in energy materials: Governing dynamics from atomistic modelling

Science.gov (United States)

Parfitt, D.; Kordatos, A.; Filippatos, P. P.; Chroneos, A.

2017-09-01

Understanding diffusion in energy materials is critical to optimising the performance of solid oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as they offer high efficiency for cleaner energy conversion and storage. In the present review, we highlight the insights offered by atomistic modelling of the ionic diffusion mechanisms in SOFCs and batteries and how the growing predictive capability of high-throughput modelling, together with our new ability to control compositions and microstructures, will produce advanced materials that are designed rather than chosen for a given application. The first part of the review focuses on the oxygen diffusion mechanisms in cathode and electrolyte materials for SOFCs and in particular, doped ceria and perovskite-related phases with anisotropic structures. The second part focuses on disordered oxides and two-dimensional materials as these are very promising systems for battery applications.

Evaluation of the Thermodynamic Models for the Thermal Diffusion Factor

DEFF Research Database (Denmark)

Gonzalez-Bagnoli, Mariana G.; Shapiro, Alexander; Stenby, Erling Halfdan

2003-01-01

Over the years, several thermodynamic models for the thermal diffusion factors for binary mixtures have been proposed. The goal of this paper is to test some of these models in combination with different equations of state. We tested the following models: those proposed by Rutherford and Drickamer...... we applied different thermodynamic models, such as the Soave-Redlich-Kwong and the Peng-Robinson equations of state. The necessity to try different thermo-dynamic models is caused by the high sensitivity of the thermal diffusion factors to the values of the partial molar properties. Two different...... corrections for the determination of the partial molar volumes have been implemented; the Peneloux correction and the correction based on the principle of corresponding states....

Twisting, supercoiling and stretching in protein bound DNA

Science.gov (United States)

Lam, Pui-Man; Zhen, Yi

2018-04-01

We have calculated theoretical results for the torque and slope of the twisted DNA, with various proteins bound on it, using the Neukirch-Marko model, in the regime where plectonemes exist. We found that the torque in the protein bound DNA decreases compared to that in the bare DNA. This is caused by the decrease in the free energy g(f) , and hence the smaller persistence lengths, in the case of protein bound DNA. We hope our results will encourage experimental investigations of supercoiling in protein bound DNA, which can provide further tests of the Neukirch-Marko model.

Hopf bifurcation in a delayed reaction-diffusion-advection population model

Science.gov (United States)

Chen, Shanshan; Lou, Yuan; Wei, Junjie

2018-04-01

In this paper, we investigate a reaction-diffusion-advection model with time delay effect. The stability/instability of the spatially nonhomogeneous positive steady state and the associated Hopf bifurcation are investigated when the given parameter of the model is near the principle eigenvalue of an elliptic operator. Our results imply that time delay can make the spatially nonhomogeneous positive steady state unstable for a reaction-diffusion-advection model, and the model can exhibit oscillatory pattern through Hopf bifurcation. The effect of advection on Hopf bifurcation values is also considered, and our results suggest that Hopf bifurcation is more likely to occur when the advection rate increases.

Turbulent diffusion modelling for windflow and dispersion analysis

International Nuclear Information System (INIS)

Bartzis, J.G.

1988-01-01

The need for simple but reliable models for turbulent diffusion for windflow and atmospheric dispersion analysis is a necessity today if one takes into consideration the relatively high demand in computer time and costs for such an analysis, arising mainly from the often large solution domains needed, the terrain complexity and the transient nature of the phenomena. In the accident consequence assessment often there is a need for a relatively large number of cases to be analysed increasing further the computer time and costs. Within the framework of searching for relatively simple and universal eddy viscosity/diffusivity models, a new three dimensional non isotropic model is proposed applicable to any domain complexity and any atmospheric stability conditions. The model utilizes the transport equation for turbulent kinetic energy but introduces a new approach in effective length scale estimation based on the flow global characteristics and local atmospheric stability. The model is discussed in detail and predictions are given for flow field and boundary layer thickness. The results are compared with experimental data with satisfactory results

NLIE of Dirichlet sine-Gordon model for boundary bound states

International Nuclear Information System (INIS)

Ahn, Changrim; Bajnok, Zoltan; Palla, Laszlo; Ravanini, Francesco

2008-01-01

We investigate boundary bound states of sine-Gordon model on the finite-size strip with Dirichlet boundary conditions. For the purpose we derive the nonlinear integral equation (NLIE) for the boundary excited states from the Bethe ansatz equation of the inhomogeneous XXZ spin 1/2 chain with boundary imaginary roots discovered by Saleur and Skorik. Taking a large volume (IR) limit we calculate boundary energies, boundary reflection factors and boundary Luescher corrections and compare with the excited boundary states of the Dirichlet sine-Gordon model first considered by Dorey and Mattsson. We also consider the short distance limit and relate the IR scattering data with that of the UV conformal field theory

Nuclear interaction potential in a folded-Yukawa model with diffuse densities

International Nuclear Information System (INIS)

Randrup, J.

1975-09-01

The folded-Yukawa model for the nuclear interaction potential is generalized to diffuse density distributions which are generated by folding a Yukawa function into sharp generating distributions. The effect of a finite density diffuseness or of a finite interaction range is studied. The Proximity Formula corresponding to the generalized model is derived and numerical comparison is made with the exact results. (8 figures)

Modeling Diffusion and Buoyancy-Driven Convection with Application to Geological CO2 Storage

KAUST Repository

Allen, Rebecca

2015-04-01

ABSTRACT Modeling Diffusion and Buoyancy-Driven Convection with Application to Geological CO2 Storage Rebecca Allen Geological CO2 storage is an engineering feat that has been undertaken around the world for more than two decades, thus accurate modeling of flow and transport behavior is of practical importance. Diffusive and convective transport are relevant processes for buoyancy-driven convection of CO2 into underlying fluid, a scenario that has received the attention of numerous modeling studies. While most studies focus on Darcy-scale modeling of this scenario, relatively little work exists at the pore-scale. In this work, properties evaluated at the pore-scale are used to investigate the transport behavior modeled at the Darcy-scale. We compute permeability and two different forms of tortuosity, namely hydraulic and diffusive. By generating various pore ge- ometries, we find hydraulic and diffusive tortuosity can be quantitatively different in the same pore geometry by up to a factor of ten. As such, we emphasize that these tortuosities should not be used interchangeably. We find pore geometries that are characterized by anisotropic permeability can also exhibit anisotropic diffusive tortuosity. This finding has important implications for buoyancy-driven convection modeling; when representing the geological formation with an anisotropic permeabil- ity, it is more realistic to also account for an anisotropic diffusivity. By implementing a non-dimensional model that includes both a vertically and horizontally orientated 5 Rayleigh number, we interpret our findings according to the combined effect of the anisotropy from permeability and diffusive tortuosity. In particular, we observe the Rayleigh ratio may either dampen or enhance the diffusing front, and our simulation data is used to express the time of convective onset as a function of the Rayleigh ratio. Also, we implement a lattice Boltzmann model for thermal convective flows, which we treat as an analog for

Capacitated Bounded Cardinality Hub Routing Problem: Model and Solution Algorithm

OpenAIRE

Gelareha, Shahin; Monemic, Rahimeh Neamatian; Semetd, Frederic

2017-01-01

In this paper, we address the Bounded Cardinality Hub Location Routing with Route Capacity wherein each hub acts as a transshipment node for one directed route. The number of hubs lies between a minimum and a maximum and the hub-level network is a complete subgraph. The transshipment operations take place at the hub nodes and flow transfer time from a hub-level transporter to a spoke-level vehicle influences spoke- to-hub allocations. We propose a mathematical model and a branch-and-cut algor...

A diffusive ink transport model for lipid dip-pen nanolithography

Science.gov (United States)

Urtizberea, A.; Hirtz, M.

2015-09-01

Despite diverse applications, phospholipid membrane stacks generated by dip-pen nanolithography (DPN) still lack a thorough and systematic characterization that elucidates the whole ink transport process from writing to surface spreading, with the aim of better controlling the resulting feature size and resolution. We report a quantitative analysis and modeling of the dependence of lipid DPN features (area, height and volume) on dwell time and relative humidity. The ink flow rate increases with humidity in agreement with meniscus size growth, determining the overall feature size. The observed time dependence indicates the existence of a balance between surface spreading and the ink flow rate that promotes differences in concentration at the meniscus/substrate interface. Feature shape is controlled by the substrate surface energy. The results are analyzed within a modified model for the ink transport of diffusive inks. At any humidity the dependence of the area spread on the dwell time shows two diffusion regimes: at short dwell times growth is controlled by meniscus diffusion while at long dwell times surface diffusion governs the process. The critical point for the switch of regime depends on the humidity.Despite diverse applications, phospholipid membrane stacks generated by dip-pen nanolithography (DPN) still lack a thorough and systematic characterization that elucidates the whole ink transport process from writing to surface spreading, with the aim of better controlling the resulting feature size and resolution. We report a quantitative analysis and modeling of the dependence of lipid DPN features (area, height and volume) on dwell time and relative humidity. The ink flow rate increases with humidity in agreement with meniscus size growth, determining the overall feature size. The observed time dependence indicates the existence of a balance between surface spreading and the ink flow rate that promotes differences in concentration at the meniscus

Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

Science.gov (United States)

Chu, Khim Hoong

2017-11-09

Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

Simple Brownian diffusion an introduction to the standard theoretical models

CERN Document Server

Gillespie, Daniel T

2013-01-01

Brownian diffusion, the motion of large molecules in a sea of very many much smaller molecules, is topical because it is one of the ways in which biologically important molecules move about inside living cells. This book presents the mathematical physics that underlies the four simplest models of Brownian diffusion.

Solvable light-front model of the electromagnetic form factor of the relativistic two-body bound state in 1+1 dimensions

International Nuclear Information System (INIS)

Mankiewicz, L.; Sawicki, M.

1989-01-01

Within a relativistically correct yet analytically solvable model of light-front quantum mechanics we construct the electromagnetic form factor of the two-body bound state and we study the validity of the static approximation to the full form factor. Upon comparison of full form factors calculated for different values of binding energy we observe an unexpected effect that for very strongly bound states further increase in binding leads to an increase in the size of the bound system. A similar effect is found for another quantum-mechanical model of relativistic dynamics

Incorporating Embedded Microporous Layers into Topologically Equivalent Pore Network Models for Oxygen Diffusivity Calculations in Polymer Electrolyte Membrane Fuel Cell Gas Diffusion Layers

International Nuclear Information System (INIS)

Fazeli, Mohammadreza; Hinebaugh, James; Bazylak, Aimy

2016-01-01

Highlights: • Pore network model for modeling PEMFC MPL-coated GDL effective diffusivity. • Bilayered GDL (substrate and MPL) is modeled with a hybrid network of block MPL elements combined with discrete substrate pores. • Diffusivities of MPL-coated GDLs agree with analytical solutions. - Abstract: In this work, a voxel-based methodology is introduced for the hybridization of a pore network with interspersed nano-porous material elements allowing pore network based oxygen diffusivity calculations in a 3D image of a polymer electrolyte membrane (PEM) fuel cell gas diffusion layer (GDL) with an embedded microporous layer (MPL). The composite GDL is modeled by combining a hybrid network of block MPL elements with prescribed bulk material properties and a topologically equivalent network of larger discrete pores and throats that are directly derived from the 3D image of the GDL substrate. This hybrid network was incorporated into a pore network model, and effective diffusivity predictions of GDL materials with MPL coatings were obtained. Stochastically generated numerical models of carbon paper substrates with and without MPLs were used, and the pore space was directly extracted from this realistic geometry as the input for the pore network model. The effective diffusion coefficient of MPL-coated GDL materials was predicted from 3D images in a pore network modeling environment without resolving the nano-scale structure of the MPL. This method is particularly useful due to the disparate length scales that are involved when attempting to capture pore-scale transport in the GDL. Validation was performed by comparing our predicted diffusivity values to analytical predictions, and excellent agreement was observed. Upon conducting a mesh sensitivity study, it was determined that an MPL element size of 7 μm provided sufficiently high resolution for accurately describing the MPL nano-structure.

Continuum modelling of silicon diffusion in indium gallium arsenide

Science.gov (United States)

Aldridge, Henry Lee, Jr.

A possible method to overcome the physical limitations experienced by continued transistor scaling and continue improvements in performance and power consumption is integration of III-V semiconductors as alternative channel materials for logic devices. Indium Gallium Arsenide (InGaAs) is such a material from the III-V semiconductor family, which exhibit superior electron mobilities and injection velocities than that of silicon. In order for InGaAs integration to be realized, contact resistances must be minimized through maximizing activation of dopants in this material. Additionally, redistribution of dopants during processing must be clearly understood and ultimately controlled at the nanometer-scale. In this work, the activation and diffusion behavior of silicon, a prominent n-type dopant in InGaAs, has been characterized and subsequently modelled using the Florida Object Oriented Process and Device Simulator (FLOOPS). In contrast to previous reports, silicon exhibits non-negligible diffusion in InGaAs, even for smaller thermal budget rapid thermal anneals (RTAs). Its diffusion is heavily concentration-dependent, with broadening "shoulder-like" profiles when doping levels exceed 1-3x1019cm -3, for both ion-implanted and Molecular Beam Epitaxy (MBE)-grown cases. Likewise a max net-activation value of ˜1.7x1019cm -3 is consistently reached with enough thermal processing, regardless of doping method. In line with experimental results and several ab-initio calculation results, rapid concentration-dependent diffusion of Si in InGaAs and the upper limits of its activation is believed to be governed by cation vacancies that serve as compensating defects in heavily n-type regions of InGaAs. These results are ultimately in line with an amphoteric defect model, where the activation limits of dopants are an intrinsic limitation of the material, rather than governed by individual dopant species or their methods of incorporation. As a result a Fermi level dependent point

Diffusion in higher dimensional SYK model with complex fermions

Science.gov (United States)

Cai, Wenhe; Ge, Xian-Hui; Yang, Guo-Hong

2018-01-01

We construct a new higher dimensional SYK model with complex fermions on bipartite lattices. As an extension of the original zero-dimensional SYK model, we focus on the one-dimension case, and similar Hamiltonian can be obtained in higher dimensions. This model has a conserved U(1) fermion number Q and a conjugate chemical potential μ. We evaluate the thermal and charge diffusion constants via large q expansion at low temperature limit. The results show that the diffusivity depends on the ratio of free Majorana fermions to Majorana fermions with SYK interactions. The transport properties and the butterfly velocity are accordingly calculated at low temperature. The specific heat and the thermal conductivity are proportional to the temperature. The electrical resistivity also has a linear temperature dependence term.

Technology diffusion in energy-economy models: The case of Danish vintage models

DEFF Research Database (Denmark)

Klinge Jacobsen, Henrik

2000-01-01

the costs of greenhouse gas mitigation. This paper examines the effect on aggregate energy efficiency of using technological vintage models to describe technology diffusion. The focus is on short- to medium-term issues. Three different models of Danish energy supply and demand are used to illustrate...

Tight Bounds for Distributed Functional Monitoring

DEFF Research Database (Denmark)

Woodruff, David P.; Zhang, Qin

2011-01-01

$, our bound resolves their main open question. Our lower bounds are based on new direct sum theorems for approximate majority, and yield significant improvements to problems in the data stream model, improving the bound for estimating $F_p, p > 2,$ in $t$ passes from $\\tilde{\\Omega}(n^{1-2/p}/(\\eps^{2/p......} t))$ to $\\tilde{\\Omega}(n^{1-2/p}/(\\eps^{4/p} t))$, giving the first bound for estimating $F_0$ in $t$ passes of $\\Omega(1/(\\eps^2 t))$ bits of space that does not use the gap-hamming problem, and showing a distribution for the gap-hamming problem with high external information cost or super...

Robust nonlinear model predictive control for nuclear power plants in load following operations with bounded xenon oscillations

International Nuclear Information System (INIS)

Eliasi, H.; Menhaj, M.B.; Davilu, H.

2011-01-01

Research highlights: → In this work, a robust nonlinear model predictive control algorithm is developed. → This algorithm is applied to control the power level for load following. → The state constraints are imposed on the predicted trajectory during optimization. → The xenon oscillations are the main constraint for the load following problem. → In this algorithm, xenon oscillations are bounded within acceptable limits. - Abstract: One of the important operations in nuclear power plants is load-following in which imbalance of axial power distribution induces xenon oscillations. These oscillations must be maintained within acceptable limits otherwise the nuclear power plant could become unstable. Therefore, bounded xenon oscillation considered to be a constraint for the load-following operation. In this paper, a robust nonlinear model predictive control for the load-following operation problem is proposed that ensures xenon oscillations are kept bounded within acceptable limits. The proposed controller uses constant axial offset (AO) strategy to maintain xenon oscillations to be bounded. The constant AO is a robust state constraint for load-following problem. The controller imposes restricted state constraints on the predicted trajectory during optimization which guarantees robust satisfaction of state constraints without restoring to a min-max optimization problem. Simulation results show that the proposed controller for the load-following operation is so effective so that the xenon oscillations kept bounded in the given region.

Computation of diffusion coefficients for waters of Gauthami Godavari estuary using one-dimensional advection-diffusion model

Digital Repository Service at National Institute of Oceanography (India)

Jyothi, D.; Murty, T.V.R.; Sarma, V.V.; Rao, D.P.

conditions. As the pollutant load on the estuary increases, the. water quality may deteriorate rapidly and therefore the scientific interests are centered on the analysis of water quality. The pollutants will be subjected to a number of physical, chemical... study we have applied one-dimensional advection-diffusion model for the waters of Gauthami Godavari estuary to determine the axial diffusion coefficients and thereby to predict the impact assessment. The study area (Fig. 1) is the lower most 32 km...

Stalled-Flow and Head-Loss Model for Diffuser Pumps

Science.gov (United States)

Meng, S. Y.

1984-01-01

Modeling procedure approximates inlet transition zone (blade leading edge to blade throat) of diffuser pump as two-dimensional cascade, properties of which are well known. Model applied to stators as well as rotors. Procedure much faster than previous methods.

Epidemic model for information diffusion in web forums: experiments in marketing exchange and political dialog.

Science.gov (United States)

Woo, Jiyoung; Chen, Hsinchun

2016-01-01

As social media has become more prevalent, its influence on business, politics, and society has become significant. Due to easy access and interaction between large numbers of users, information diffuses in an epidemic style on the web. Understanding the mechanisms of information diffusion through these new publication methods is important for political and marketing purposes. Among social media, web forums, where people in online communities disseminate and receive information, provide a good environment for examining information diffusion. In this paper, we model topic diffusion in web forums using the epidemiology model, the susceptible-infected-recovered (SIR) model, frequently used in previous research to analyze both disease outbreaks and knowledge diffusion. The model was evaluated on a large longitudinal dataset from the web forum of a major retail company and from a general political discussion forum. The fitting results showed that the SIR model is a plausible model to describe the diffusion process of a topic. This research shows that epidemic models can expand their application areas to topic discussion on the web, particularly social media such as web forums.

A current induced diffusion model of gas sputtering

International Nuclear Information System (INIS)

Hotston, E.S.

1980-01-01

A model is proposed to explain the experimental results on deuteron trapping in stainless steel targets at low temperatures carried out at Garching and Culham. The model proposes that the ions are trapped in two kinds of sites: Deep sites with high activation energy and shallow sites of low activation energy. Trapped deuterons reach the surface of the target by being expelled from shallow sites by the action of the ion beam and migrate to nearby sites in a random way, thus moving by a bombardment induced diffusion. Ions diffusing to the target surface and being released are said to be sputtered from the target. It has been necessary to assume numerical values for sizes of some of the processes which occur. With a suitable choice of values the model successfully predicts the numbers of deuterons trapped per unit area of the target, the obserbed density profile of the trapped ions and the threshold at which sputtering starts. The model also successfully describes the replacement of the trapped deuterons by protons, when the deuteron beam is replaced by a proton beam. The collision cross-section for beam ions and ions trapped in shallow sites is too large, 4 x 10 -13 cm 2 , for a binary collision and it is tentatively suggested that the ions in the shallow sites may be in small voids in the target which may be connected with blister formation. Comparison of the present model with one being developed to describe the trapping of deuterons in carbon suggests that it may be possible to describe all gas sputtering experiments in terms of diffusion processes. (orig.)

Inclusion of the diffuseness in the schematic model of heavy ion collisions

International Nuclear Information System (INIS)

Marta, H.D.

1989-01-01

The schematic model of central heavy ion collisions developed by Swiatecki includes the Coulomb and surface contributions to the potential energy of the system and one-body dissipation. This model is extended by considering the diffuseness of the nuclear surface; this has the implication that we must consider the proximity forces in the dynamics of the collisions. For the sake of simplicity we work with symmetrical systems. The results of the model studied are compared with experimental data and with other theoretical calculations. We conclude that the detailed consideration of the diffuseness of the nuclear surfaces does not substantially change the results of the schematic model for sharp surfaces in which the diffuseness is considered only through the parameters. (author) [pt

Noninvasive estimation of bound and mobile platinum compounds in the kidney using a radiopharmacokinetic model

International Nuclear Information System (INIS)

Brechner, R.R.; D'Argenio, D.Z.; Dahalan, R.; Wolf, W.

1986-01-01

Nephrotoxicity remains a major limitation in the use of cisplatin [cis-diamminedichloroplatinum(II)]. Although several strategies are in use to limit this serious side effect, none is fully satisfactory. Classical pharmacokinetic studies of cisplatin have been based on blood and urine samples. As nephrotoxicity plays a significant role in the design of the therapeutic strategy, the kidneys should be considered as a separate state in any model formulated for ultimate control purposes. Previous studies of organ pharmacokinetics have relied on population measurements. The authors have developed an organ compartmental model from individual animal data obtained noninvasively. The eight-compartment model used to represent the distribution of cisplatin considers free and bound platinum in plasma, platinum in the erythrocytes, mobile and bound platinum in the kidneys, mobile and bound platinum in the tissues, and platinum in the urine. Data were collected from experiments with anesthetized female rats, after intravenous administration of [195mPt]cisplatin. Both arterial and bladder samples, and multiple images obtained with an Anger camera interfaced to a microcomputer were used. The model was estimated from individual data obtained after injection of a bolus of cisplatin (six animals). The model was validated by using it to predict data obtained from forcing the system with a different input function, a 0.5-h intravenous infusion (three animals). The results of this work show that it is possible to noninvasively study drug kinetics in organs that are not readily accessible to direct measurements in an individual, rather than relying on invasive measurements performed on a population.(ABSTRACT TRUNCATED AT 250 WORDS)

Analytically solvable models of reaction-diffusion systems

Energy Technology Data Exchange (ETDEWEB)

Zemskov, E P; Kassner, K [Institut fuer Theoretische Physik, Otto-von-Guericke-Universitaet, Universitaetsplatz 2, 39106 Magdeburg (Germany)

2004-05-01

We consider a class of analytically solvable models of reaction-diffusion systems. An analytical treatment is possible because the nonlinear reaction term is approximated by a piecewise linear function. As particular examples we choose front and pulse solutions to illustrate the matching procedure in the one-dimensional case.

Absolute Lower Bound on the Bounce Action

Science.gov (United States)

Sato, Ryosuke; Takimoto, Masahiro

2018-03-01

The decay rate of a false vacuum is determined by the minimal action solution of the tunneling field: bounce. In this Letter, we focus on models with scalar fields which have a canonical kinetic term in N (>2 ) dimensional Euclidean space, and derive an absolute lower bound on the bounce action. In the case of four-dimensional space, we show the bounce action is generically larger than 24 /λcr, where λcr≡max [-4 V (ϕ )/|ϕ |4] with the false vacuum being at ϕ =0 and V (0 )=0 . We derive this bound on the bounce action without solving the equation of motion explicitly. Our bound is derived by a quite simple discussion, and it provides useful information even if it is difficult to obtain the explicit form of the bounce solution. Our bound offers a sufficient condition for the stability of a false vacuum, and it is useful as a quick check on the vacuum stability for given models. Our bound can be applied to a broad class of scalar potential with any number of scalar fields. We also discuss a necessary condition for the bounce action taking a value close to this lower bound.

Advanced diffusion model in compacted bentonite based on modified Poisson-Boltzmann equations

International Nuclear Information System (INIS)

Yotsuji, K.; Tachi, Y.; Nishimaki, Y.

2012-01-01

Document available in extended abstract form only. Diffusion and sorption of radionuclides in compacted bentonite are the key processes in the safe geological disposal of radioactive waste. JAEA has developed the integrated sorption and diffusion (ISD) model for compacted bentonite by coupling the pore water chemistry, sorption and diffusion processes in consistent way. The diffusion model accounts consistently for cation excess and anion exclusion in narrow pores in compacted bentonite by the electric double layer (EDL) theory. The firstly developed ISD model could predict the diffusivity of the monovalent cation/anion in compacted bentonite as a function of dry density. This ISD model was modified by considering the visco-electric effect, and applied for diffusion data for various radionuclides measured under wide range of conditions (salinity, density, etc.). This modified ISD model can give better quantitative agreement with diffusion data for monovalent cation/anion, however, the model predictions still disagree with experimental data for multivalent cation and complex species. In this study we extract the additional key factors influencing diffusion model in narrow charged pores, and the effects of these factors were investigated to reach a better understanding of diffusion processes in compacted bentonite. We investigated here the dielectric saturation effect and the excluded volume effect into the present ISD model and numerically solved these modified Poisson-Boltzmann equations. In the vicinity of the negatively charged clay surfaces, it is necessary to evaluate concentration distribution of electrolytes considering the dielectric saturation effects. The Poisson-Boltzmann (P-B) equation coupled with the dielectric saturation effects was solved numerically by using Runge-Kutta and Shooting methods. Figure 1(a) shows the concentration distributions of Na + as numerical solutions of the modified and original P-B equations for 0.01 M pore water, 800 kg m -3

Diffusive retention of atmospheric gases in chert

Science.gov (United States)

Pettitt, E.; Cherniak, D. J.; Watson, E. B.; Schaller, M. F.

2016-12-01

Throughout Earth's history, the volatile contents (N2, CO2, Ar) of both deep and shallow terrestrial reservoirs has been dynamic. Volatiles are important chemical constituents because they play a significant role in regulating Earth's climate, mediating the evolution of complex life, and controlling the properties of minerals and rocks. Estimating levels of atmospheric volatiles in the deep geological past requires interrogation of materials that have acquired and retained a chemical memory from that time. Cherts have the potential to trap atmospheric components during formation and later release those gases for analysis in the laboratory. However, cherts have been underexploited in this regard, partly because their ability to retain a record of volatile components has not been adequately evaluated. Before cherts can be reliably used as indicators of past levels of major atmospheric gases, it is crucial that we understand the diffusive retentiveness of these cryptocrystalline silica phases. As the first step toward quantifying the diffusivity and solubility of carbon dioxide and nitrogen in chert, we have performed 1-atmosphere diffusive-uptake experiments at temperatures up to 450°C. Depth profiles of in-diffusing gases are measured by nuclear reaction analysis (NRA) to help us understand the molecular-scale transport of volatiles and thus the validity of using chert-bound volatiles to record information about Earth history. Data collected to date suggest that at least some cherts are ideal storage containers and can retain volatiles for a geologically long time. In addition to these diffusion experiments, preliminary online-crush fast-scan measurements using a quadrupole mass spectrometer indicate that atmospheric volatiles are released upon crushing various chert samples. By coupling such volatile-release measurements made by mass spectrometry with diffusion experiments, we are uniquely able to address the storage and fidelity of volatiles bound in crustal

Application of Fokker-Planck equation in positron diffusion trapping model

International Nuclear Information System (INIS)

Bartosova, I.; Ballo, P.

2015-01-01

This paper is a theoretical prelude to future work involving positron diffusion in solids for the purpose of positron annihilation lifetime spectroscopy (PALS). PALS is a powerful tool used to study defects present in materials. However, the behavior of positrons in solids is a process hard to describe. Various models have been established to undertake this task. Our preliminary model is based on the Diffusion Trapping Model (DTM) described by partial differential Fokker-Planck equation and is solved via time discretization. Fokker-Planck equation describes the time evolution of the probability density function of velocity of a particle under the influence of various forces. (authors)

A discrete model to study reaction-diffusion-mechanics systems.

Science.gov (United States)

Weise, Louis D; Nash, Martyn P; Panfilov, Alexander V

2011-01-01

This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

A discrete model to study reaction-diffusion-mechanics systems.

Directory of Open Access Journals (Sweden)

Louis D Weise

Full Text Available This article introduces a discrete reaction-diffusion-mechanics (dRDM model to study the effects of deformation on reaction-diffusion (RD processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material. Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

Spatio-temporal dynamics and transition from asymptotic equilibrium to bounded oscillations in Chrysomya albiceps (Diptera, Calliphoridae

Directory of Open Access Journals (Sweden)

Wesley Augusto Conde Godoy

2001-07-01

Full Text Available The sensitivity of parameters that govern the stability of population size in Chrysomya albiceps and describe its spatial dynamics was evaluated in this study. The dynamics was modeled using a density-dependent model of population growth. Our simulations show that variation in fecundity and mainly in survival has marked effect on the dynamics and indicates the possibility of transitions from one-point equilibrium to bounded oscillations. C. albiceps exhibits a two-point limit cycle, but the introduction of diffusive dispersal induces an evident qualitative shift from two-point limit cycle to a one fixed-point dynamics. Population dynamics of C. albiceps is here compared to dynamics of Cochliomyia macellaria, C. megacephala and C. putoria.

Impact of Social Network and Business Model on Innovation Diffusion of Electric Vehicles in China

Directory of Open Access Journals (Sweden)

D. Y. Kong

2014-01-01

Full Text Available The diffusion of electric vehicles (EVs involves not only the technological development but also the construction of complex social networks. This paper uses the theory of network control to analyze the influence of network forms on EV diffusion in China, especially focusing on the building of EV business models (BMs and the resulting effects and control on the diffusion of EVs. The Bass model is adopted to forecast the diffusion process of EVs and genetic algorithm is used to estimate the parameters based on the diffusion data of Hybrid Electric Vehicle (HEV in the United States and Japan. Two different social network forms and BMs are selected, that is, battery leasing model and vehicle purchasing model, to analyze how different network forms may influence the innovation coefficient and imitation coefficient in the Bass model, which will in turn result in different diffusion results. Thereby, we can find the appropriate network forms and BMs for EVs which is suitable to the local market conditions.

Diffusion and sorption on hardened cement pastes - experiments and modelling results

Energy Technology Data Exchange (ETDEWEB)

Jakob, A.; Sarott, F.-A.; Spieler, P.

1999-08-01

Large parts of repositories for low and intermediate level radioactive waste consist of cementitious materials. Radionuclides are transported by diffusion in the cement matrix or, in case of fractured or highly permeable cement, by advection and dispersion. In this work we aim at a mechanistic understanding of diffusion processes of some reactive tracers. On the laboratory scale, ten through-diffusion experiments were performed to study these processes for Cl{sup -}, I{sup -}, Cs{sup +} and Ni{sup 2+} ions in a Sulphate Resisting Portland Cement (SRPC) equilibrated with an artificial pore water. Some of the experiments continued up to nearly three years with daily measurements. In all the experiments, a cement disk initially saturated with an artificial pore water was exposed on one side to a highly diluted solution containing the species of interest. On the second side, a near-zero concentration boundary was maintained to drive through-diffusion of the tracer. The changes of concentrations on both sides of the samples were monitored, allowing careful mass balances. From these data, values of the diffusive flux and the mass of tracer taken up by the cementitious material were determined as a function of time. In the subsequent modelling, the time histories of these tracer breakthroughs were fitted using five different models. The simplest model neglects all retarding mechanisms except pure diffusion. More complex models either account for instantaneous equilibrium sorption in form of linear or non-linear (Freundlich) sorption or for first-order sorption kinetics where the forward reaction may be linear or non-linear according to the Freundlich isotherm, while the back-reaction is linear. Hence, the analysis allows the extraction of the diffusion coefficient and parameter values for the sorption isotherm or rate-constants for sorption and desorption. The fits to the experimental data were carried out by an automated Marquardt-Levenberg procedure yielding error

Diffusion Modeling: A Study of the Diffusion of “Jatropha Curcas ...

African Journals Online (AJOL)

Consequently, the study recommended the use of diffusion networks which integrate interpersonal networks, and multimedia strategies for the effective diffusion of innovation such as Jacodiesel in Adamawa State and other parts of the country. Keywords: Sustainability, Diffusion, Innovation, Communicative Influence, ...

Modelling Bourdieu: An extension of the Axelrod cultural diffusion model

OpenAIRE

Trigg, Andrew B.; Bertie, Andrew J.; Himmelweit, Susan F.

2008-01-01

The contribution to the social theory of consumption of the late Pierre Bourdieu has been widely recognized, but not fully absorbed by the economics discipline. To address this lacuna, an agent-based model of Bourdieu's social theory is developed by extending Axelrod's cultural diffusion model. Bourdieu's theory is decomposed into two components: a capital effect on social interaction and an innovation effect. Whereas simulations of the capital effect are found to have a key role in the repro...

Cell-bound lipases from Burkholderia sp. ZYB002: gene sequence analysis, expression, enzymatic characterization, and 3D structural model.

Science.gov (United States)

Shu, Zhengyu; Lin, Hong; Shi, Shaolei; Mu, Xiangduo; Liu, Yanru; Huang, Jianzhong

2016-05-03

The whole-cell lipase from Burkholderia cepacia has been used as a biocatalyst in organic synthesis. However, there is no report in the literature on the component or the gene sequence of the cell-bound lipase from this species. Qualitative analysis of the cell-bound lipase would help to illuminate the regulation mechanism of gene expression and further improve the yield of the cell-bound lipase by gene engineering. Three predictive cell-bound lipases, lipA, lipC21 and lipC24, from Burkholderia sp. ZYB002 were cloned and expressed in E. coli. Both LipA and LipC24 displayed the lipase activity. LipC24 was a novel mesophilic enzyme and displayed preference for medium-chain-length acyl groups (C10-C14). The 3D structural model of LipC24 revealed the open Y-type active site. LipA displayed 96 % amino acid sequence identity with the known extracellular lipase. lipA-inactivation and lipC24-inactivation decreased the total cell-bound lipase activity of Burkholderia sp. ZYB002 by 42 % and 14 %, respectively. The cell-bound lipase activity from Burkholderia sp. ZYB002 originated from a multi-enzyme mixture with LipA as the main component. LipC24 was a novel lipase and displayed different enzymatic characteristics and structural model with LipA. Besides LipA and LipC24, other type of the cell-bound lipases (or esterases) should exist.

A model of non-Gaussian diffusion in heterogeneous media

Science.gov (United States)

Lanoiselée, Yann; Grebenkov, Denis S.

2018-04-01

Recent progress in single-particle tracking has shown evidence of the non-Gaussian distribution of displacements in living cells, both near the cellular membrane and inside the cytoskeleton. Similar behavior has also been observed in granular materials, turbulent flows, gels and colloidal suspensions, suggesting that this is a general feature of diffusion in complex media. A possible interpretation of this phenomenon is that a tracer explores a medium with spatio-temporal fluctuations which result in local changes of diffusivity. We propose and investigate an ergodic, easily interpretable model, which implements the concept of diffusing diffusivity. Depending on the parameters, the distribution of displacements can be either flat or peaked at small displacements with an exponential tail at large displacements. We show that the distribution converges slowly to a Gaussian one. We calculate statistical properties, derive the asymptotic behavior and discuss some implications and extensions.

Maximal energy extraction under discrete diffusive exchange

Energy Technology Data Exchange (ETDEWEB)

Hay, M. J., E-mail: hay@princeton.edu [Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544 (United States); Schiff, J. [Department of Mathematics, Bar-Ilan University, Ramat Gan 52900 (Israel); Fisch, N. J. [Department of Astrophysical Sciences, Princeton University, Princeton, New Jersey 08544 (United States); Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

2015-10-15

Waves propagating through a bounded plasma can rearrange the densities of states in the six-dimensional velocity-configuration phase space. Depending on the rearrangement, the wave energy can either increase or decrease, with the difference taken up by the total plasma energy. In the case where the rearrangement is diffusive, only certain plasma states can be reached. It turns out that the set of reachable states through such diffusive rearrangements has been described in very different contexts. Building upon those descriptions, and making use of the fact that the plasma energy is a linear functional of the state densities, the maximal extractable energy under diffusive rearrangement can then be addressed through linear programming.

Numerical solutions of diffusive logistic equation

International Nuclear Information System (INIS)

Afrouzi, G.A.; Khademloo, S.

2007-01-01

In this paper we investigate numerically positive solutions of a superlinear Elliptic equation on bounded domains. The study of Diffusive logistic equation continues to be an active field of research. The subject has important applications to population migration as well as many other branches of science and engineering. In this paper the 'finite difference scheme' will be developed and compared for solving the one- and three-dimensional Diffusive logistic equation. The basis of the analysis of the finite difference equations considered here is the modified equivalent partial differential equation approach, developed from many authors these years

A relativistic gauge model describing N particles bound by harmonic forces

International Nuclear Information System (INIS)

Filippov, A.T.

1987-01-01

Application of the principle of gauging to linear canonical symmetries of simplest/rudimentary/bilinear lagrangians is shown to produce a relativistic version of the Lagrangian describing N particles bound by harmonic forces. For pairwise coupled identical particles the gauge group is T 1 xU 1 , xSU N-1 . A model for the relativistic discrete string (a chain of N particles) is also discussed. All these gauge theoried of particles can be quantized by standard methods

Shrinkage Simulation of Holographic Grating Using Diffusion Model in PQ-PMMA Photopolymer

Directory of Open Access Journals (Sweden)

Wei Zepeng

2015-01-01

Full Text Available An extended model based on nonlocal polymerization-driven diffusion model is derived by introducing shrinkage process for describing photopolymerized dynamics in PQ-PMMA photopolymer. The kinetic parameters, polymerization rate and diffusion rate are experimentally determined to provide quantitative simulation. The numerical results show that the fringes at edge of grating are firstly shifted and consequently, it leads to a contrast reduction of holograms. Finally, theoretical results are experimentally checked by temporal evolution of diffraction efficiency, and the shrinkage coefficient 0.5% is approximately achieved under incident intensity 25.3mw/cm2. This work can enhance the applicability of diffusion model and contribute to the reasonable description of the grating formation in the photopolymer.

Robust and fast nonlinear optimization of diffusion MRI microstructure models.

Science.gov (United States)

Harms, R L; Fritz, F J; Tobisch, A; Goebel, R; Roebroeck, A

2017-07-15

Advances in biophysical multi-compartment modeling for diffusion MRI (dMRI) have gained popularity because of greater specificity than DTI in relating the dMRI signal to underlying cellular microstructure. A large range of these diffusion microstructure models have been developed and each of the popular models comes with its own, often different, optimization algorithm, noise model and initialization strategy to estimate its parameter maps. Since data fit, accuracy and precision is hard to verify, this creates additional challenges to comparability and generalization of results from diffusion microstructure models. In addition, non-linear optimization is computationally expensive leading to very long run times, which can be prohibitive in large group or population studies. In this technical note we investigate the performance of several optimization algorithms and initialization strategies over a few of the most popular diffusion microstructure models, including NODDI and CHARMED. We evaluate whether a single well performing optimization approach exists that could be applied to many models and would equate both run time and fit aspects. All models, algorithms and strategies were implemented on the Graphics Processing Unit (GPU) to remove run time constraints, with which we achieve whole brain dataset fits in seconds to minutes. We then evaluated fit, accuracy, precision and run time for different models of differing complexity against three common optimization algorithms and three parameter initialization strategies. Variability of the achieved quality of fit in actual data was evaluated on ten subjects of each of two population studies with a different acquisition protocol. We find that optimization algorithms and multi-step optimization approaches have a considerable influence on performance and stability over subjects and over acquisition protocols. The gradient-free Powell conjugate-direction algorithm was found to outperform other common algorithms in terms of

A material optimization model to approximate energy bounds for cellular materials under multiload conditions

DEFF Research Database (Denmark)

Guedes, J.M.; Rodrigues, H.C.; Bendsøe, Martin P.

2003-01-01

This paper describes a computational model, based on inverse homogenization and topology design, for approximating energy bounds for two-phase composites under multiple load cases. The approach allows for the identification of possible single-scale cellular materials that give rise to the optimal...

Lower Bounds for Sorted Geometric Queries in the I/O Model

DEFF Research Database (Denmark)

Afshani, Peyman; Zeh, Norbert

2012-01-01

. This is highly relevant in an I/O context because storing a massive data set in a superlinear-space data structure is often infeasible. We also prove that answering queries using I/Os requires space, where N is the input size, B is the block size, and M is the size of the main memory. This bound is unlikely...... to be optimal and in fact we can show that, for a particular class of “persistence-based” data structures, the space lower bound can be improved to Ω(N2 / MO(1)). Both these lower bounds are a first step towards understanding the complexity of sorted geometric query problems. All our lower bounds assume...

Bounds and inequalities relating h-index, g-index, e-index and generalized impact factor: an improvement over existing models.

Science.gov (United States)

Abbas, Ash Mohammad

2012-01-01

In this paper, we describe some bounds and inequalities relating h-index, g-index, e-index, and generalized impact factor. We derive the bounds and inequalities relating these indexing parameters from their basic definitions and without assuming any continuous model to be followed by any of them. We verify the theorems using citation data for five Price Medalists. We observe that the lower bound for h-index given by Theorem 2, [formula: see text], g ≥ 1, comes out to be more accurate as compared to Schubert-Glanzel relation h is proportional to C(2/3)P(-1/3) for a proportionality constant of 1, where C is the number of citations and P is the number of papers referenced. Also, the values of h-index obtained using Theorem 2 outperform those obtained using Egghe-Liang-Rousseau power law model for the given citation data of Price Medalists. Further, we computed the values of upper bound on g-index given by Theorem 3, g ≤ (h + e), where e denotes the value of e-index. We observe that the upper bound on g-index given by Theorem 3 is reasonably tight for the given citation record of Price Medalists.

Achieving the physical limits of the bounded-storage model

International Nuclear Information System (INIS)

Mandayam, Prabha; Wehner, Stephanie

2011-01-01

Secure two-party cryptography is possible if the adversary's quantum storage device suffers imperfections. For example, security can be achieved if the adversary can store strictly less then half of the qubits transmitted during the protocol. This special case is known as the bounded-storage model, and it has long been an open question whether security can still be achieved if the adversary's storage were any larger. Here, we answer this question positively and demonstrate a two-party protocol which is secure as long as the adversary cannot store even a small fraction of the transmitted pulses. We also show that security can be extended to a larger class of noisy quantum memories.

A fractal derivative model for the characterization of anomalous diffusion in magnetic resonance imaging

Science.gov (United States)

Liang, Yingjie; Ye, Allen Q.; Chen, Wen; Gatto, Rodolfo G.; Colon-Perez, Luis; Mareci, Thomas H.; Magin, Richard L.

2016-10-01

Non-Gaussian (anomalous) diffusion is wide spread in biological tissues where its effects modulate chemical reactions and membrane transport. When viewed using magnetic resonance imaging (MRI), anomalous diffusion is characterized by a persistent or 'long tail' behavior in the decay of the diffusion signal. Recent MRI studies have used the fractional derivative to describe diffusion dynamics in normal and post-mortem tissue by connecting the order of the derivative with changes in tissue composition, structure and complexity. In this study we consider an alternative approach by introducing fractal time and space derivatives into Fick's second law of diffusion. This provides a more natural way to link sub-voxel tissue composition with the observed MRI diffusion signal decay following the application of a diffusion-sensitive pulse sequence. Unlike previous studies using fractional order derivatives, here the fractal derivative order is directly connected to the Hausdorff fractal dimension of the diffusion trajectory. The result is a simpler, computationally faster, and more direct way to incorporate tissue complexity and microstructure into the diffusional dynamics. Furthermore, the results are readily expressed in terms of spectral entropy, which provides a quantitative measure of the overall complexity of the heterogeneous and multi-scale structure of biological tissues. As an example, we apply this new model for the characterization of diffusion in fixed samples of the mouse brain. These results are compared with those obtained using the mono-exponential, the stretched exponential, the fractional derivative, and the diffusion kurtosis models. Overall, we find that the order of the fractal time derivative, the diffusion coefficient, and the spectral entropy are potential biomarkers to differentiate between the microstructure of white and gray matter. In addition, we note that the fractal derivative model has practical advantages over the existing models from the

Relativistic bound state wave functions

International Nuclear Information System (INIS)

Micu, L.

2005-01-01

A particular method of writing the bound state wave functions in relativistic form is applied to the solutions of the Dirac equation with confining potentials in order to obtain a relativistic description of a quark antiquark bound system representing a given meson. Concerning the role of the effective constituent in the present approach we first observe that without this additional constituent we couldn't expand the bound state wave function in terms of products of free states. Indeed, we notice that if the wave function depends on the relative coordinates only, all the expansion coefficients would be infinite. Secondly we remark that the effective constituent enabled us to give a Lorentz covariant meaning to the potential energy of the bound system which is now seen as the 4th component of a 4-momentum. On the other side, by relating the effective constituent to the quantum fluctuations of the background field which generate the binding, we provided a justification for the existence of some spatial degrees of freedom accompanying the interaction potential. These ones, which are quite unusual in quantum mechanics, in our model are the natural consequence of the the independence of the quarks and can be seen as the effect of the imperfect cancellation of the vector momenta during the quantum fluctuations. Related with all these we remark that the adequate representation for the relativistic description of a bound system is the momentum representation, because of the transparent and easy way of writing the conservation laws and the transformation properties of the wave functions. The only condition to be fulfilled is to find a suitable way to take into account the potential energy of the bound system. A particular feature of the present approach is that the confining forces are due to a kind of glue where both quarks are embedded. This recalls other bound state models where the wave function is factorized in terms of constituent wave functions and the confinement is

Analytical models for lower and upper bounds of the condensation-induced water hammer in long horizontal pipes

International Nuclear Information System (INIS)

Chun, Moon Hyun; Park, Joo Wan; Nam, Ho Yun

1992-01-01

Improved analytical models have been proposed that can predict the lower and upper limits of the water hammer region for given flow conditions by incorporation of recent advances made in the understanding of phenomena associated with the condensation-induced water hammer into existing methods. Present models are applicable for steam-water counterflow in a long horizontal pipe geometry. Both lower and upper bounds of the water hammer region are expressed in terms of the 'critical inlet water flow rate' as a function of axial position. Water hammer region boundaries predicted by present and typical existing models are compared for particular flow conditions of the water hammer event occurred at San Onofre Unit 1 to assess the applicability of the models examined. The result shows that present models for lower and upper bounds of the water hammer region compare favorably with the best performing existing models

HiggsBounds-4. Improved tests of extended Higgs sectors against exclusion bounds from LEP, the Tevatron and the LHC

Energy Technology Data Exchange (ETDEWEB)

Bechtle, Philip [Bonn Univ. (Germany). Physikalisches Inst.; Heinemeyer, Sven [Instituto de Fisica de Cantabria (CSIC-UC), Santander (Spain); Staal, Oscar [Stockholm Univ. (Sweden). Dept. of Physics; Stefaniak, Tim; Williams, Karina E. [Bonn Univ. (Germany). Physikalisches Inst.; Bonn Univ. (Germany). Bethe Center for Theoretical Physics; Weiglein, Georg [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Brein, Oliver

2013-12-15

We describe the new developments in version 4 of the public computer code HiggsBounds. HiggsBounds is a tool to test models with arbitrary Higgs sectors, containing both neutral and charged Higgs bosons, against the published exclusion bounds from Higgs searches at the LEP, Tevatron and LHC experiments. From the model predictions for the Higgs masses, branching ratios, production cross sections and total decay widths - which are specified by the user in the input for the program - the code calculates the predicted signal rates for the search channels considered in the experimental data. The signal rates are compared to the expected and observed cross section limits from the Higgs searches to determine whether a point in the model parameter space is excluded at 95% confidence level. In this paper we present a modification of the HiggsBounds main algorithm that extends the exclusion test in order to ensure that it provides useful results in the presence of one or more significant excesses in the data, corresponding to potential Higgs signals. We also describe a new method to test whether the limits from an experimental search performed under certain model assumptions can be applied to a different theoretical model. Further developments discussed here include a framework to take into account theoretical uncertainties on the Higgs mass predictions, and the possibility to obtain the {chi}{sup 2} likelihood of Higgs exclusion limits from LEP. Extensions to the user subroutines from earlier versions of HiggsBounds are described. The new features are demonstrated by additional example programs.

HiggsBounds-4. Improved tests of extended Higgs sectors against exclusion bounds from LEP, the Tevatron and the LHC

International Nuclear Information System (INIS)

Bechtle, Philip; Staal, Oscar; Brein, Oliver

2013-12-01

We describe the new developments in version 4 of the public computer code HiggsBounds. HiggsBounds is a tool to test models with arbitrary Higgs sectors, containing both neutral and charged Higgs bosons, against the published exclusion bounds from Higgs searches at the LEP, Tevatron and LHC experiments. From the model predictions for the Higgs masses, branching ratios, production cross sections and total decay widths - which are specified by the user in the input for the program - the code calculates the predicted signal rates for the search channels considered in the experimental data. The signal rates are compared to the expected and observed cross section limits from the Higgs searches to determine whether a point in the model parameter space is excluded at 95% confidence level. In this paper we present a modification of the HiggsBounds main algorithm that extends the exclusion test in order to ensure that it provides useful results in the presence of one or more significant excesses in the data, corresponding to potential Higgs signals. We also describe a new method to test whether the limits from an experimental search performed under certain model assumptions can be applied to a different theoretical model. Further developments discussed here include a framework to take into account theoretical uncertainties on the Higgs mass predictions, and the possibility to obtain the χ 2 likelihood of Higgs exclusion limits from LEP. Extensions to the user subroutines from earlier versions of HiggsBounds are described. The new features are demonstrated by additional example programs.

Modelling Of Eco-innovation Diffusion: The EU Eco-label

Directory of Open Access Journals (Sweden)

KIJEK TOMASZ

2015-03-01

Full Text Available The aim of this article is to carry out a theoretical and empirical analysis of the process of eco-label diffusion. Eco-labels allow consumers to identify products and services that have a reduced environmental impact during their life cycle. Thus, they are aimed at diminishing the information gap between sellers and buyers. The results of the estimation using the Bass model indicate that the diffusion of the EU eco-label has been most dynamic in countries such as Hungary, Poland, Denmark, Germany and France. In turn, the scope of diffusion (absolute saturation level reached the highest value for companies in France and Italy. In addition, the results of the study confirm the stimulating impact of the scope of eco-label diffusion on consumer awareness of environmental issues. This finding points to the need for environmental education among consumers, which could in turn encourage firms to undertake pro-environmental actions.

The entropy dissipation method for spatially inhomogeneous reaction-diffusion-type systems

KAUST Repository

Di Francesco, M.

2008-12-08

We study the long-time asymptotics of reaction-diffusion-type systems that feature a monotone decaying entropy (Lyapunov, free energy) functional. We consider both bounded domains and confining potentials on the whole space for arbitrary space dimensions. Our aim is to derive quantitative expressions for (or estimates of) the rates of convergence towards an (entropy minimizing) equilibrium state in terms of the constants of diffusion and reaction and with respect to conserved quantities. Our method, the so-called entropy approach, seeks to quantify convergence to equilibrium by using functional inequalities, which relate quantitatively the entropy and its dissipation in time. The entropy approach is well suited to nonlinear problems and known to be quite robust with respect to model variations. It has already been widely applied to scalar diffusion-convection equations, and the main goal of this paper is to study its generalization to systems of partial differential equations that contain diffusion and reaction terms and admit fewer conservation laws than the size of the system. In particular, we successfully apply the entropy approach to general linear systems and to a nonlinear example of a reaction-diffusion-convection system arising in solid-state physics as a paradigm for general nonlinear systems. © 2008 The Royal Society.

A combinatorial model of malware diffusion via bluetooth connections.

Science.gov (United States)

Merler, Stefano; Jurman, Giuseppe

2013-01-01

We outline here the mathematical expression of a diffusion model for cellphones malware transmitted through Bluetooth channels. In particular, we provide the deterministic formula underlying the proposed infection model, in its equivalent recursive (simple but computationally heavy) and closed form (more complex but efficiently computable) expression.

Lower Bounds for Number-in-Hand Multiparty Communication Complexity, Made Easy

DEFF Research Database (Denmark)

Phillips, Jeff; Verbin, Elad; Zhang, Qin

2012-01-01

; the technique seems applicable to a wide range of other problems as well. The obtained communication lower bounds imply new lower bounds in the functional monitoring model [11] (also called the distributed streaming model). All of our lower bounds allow randomized communication protocols with two-sided error......In this paper we prove lower bounds on randomized multiparty communication complexity, both in the blackboard model (where each message is written on a blackboard for all players to see) and (mainly) in the message-passing model, where messages are sent player-to-player. We introduce a new...... technique for proving such bounds, called symmetrization, which is natural, intuitive, and often easy to use. For example, for the problem where each of k players gets a bit-vector of length n, and the goal is to compute the coordinate-wise XOR of these vectors, we prove a tight lower bounds of Ω...

Reduction methodology for reaction cross sections induced by weakly bound nuclei

International Nuclear Information System (INIS)

Deshmukh, N.N.; Mukherjee, S.; Appannababu, S.; Guimaraees, V.; Lubian, J.; Gomes, P.R.S.

2009-01-01

The interest in nuclear reactions with weakly bound nuclei has increased considerably along the last decade. Several experiments with stable and unstable projectiles have been performed and a variety of theoretical approaches have been developed. In particular, fusion and breakup reactions induced by such projectiles have been the object of several studies. Owing to the weak binding of the projectile, the breakup cross section may be quite large and coupling with the breakup channel can strongly affect the fusion cross section at near barrier energies. This influence stems from two effects, one of a static and the other of a dynamic nature, which are, however, not easy to be disentangled. The static effect results from the more diffuse density of the weakly bound nuclei, as compared with a strongly bound one. The contribution from weakly bound nucleons to the nuclear density extends further out and this gives rise to a lower and thicker potential barrier. There is general understanding that this static effect enhances the fusion cross section at near barrier energies. On the other hand, there is the dynamic effect corresponding to the coupling with the breakup channel. It is well known that the coupling with a finite number of bound channels enhances the sub-barrier fusion cross section. However, the effect of coupling to channels in the continuum (breakup) is controversial. In first place, one should have in mind that there are different fusion processes in collisions of weakly bound projectiles. One of such processes is the complete fusion, which takes place when the whole mass of the projectile fuses with the target. There may be fusion following breakup. In this case, the compound nucleus may contain the whole mass of the projectile (through sequential fusion of the fragments), or some fragment can escape the interaction region. The former corresponds also to complete fusion (sequential complete fusion) while the latter is known as incomplete fusion. So far

New bounds on isotropic Lorentz violation

International Nuclear Information System (INIS)

Carone, Christopher D.; Sher, Marc; Vanderhaeghen, Marc

2006-01-01

Violations of Lorentz invariance that appear via operators of dimension four or less are completely parametrized in the Standard Model Extension (SME). In the pure photonic sector of the SME, there are 19 dimensionless, Lorentz-violating parameters. Eighteen of these have experimental upper bounds ranging between 10 -11 and 10 -32 ; the remaining parameter, k-tilde tr , is isotropic and has a much weaker bound of order 10 -4 . In this Brief Report, we point out that k-tilde tr gives a significant contribution to the anomalous magnetic moment of the electron and find a new upper bound of order 10 -8 . With reasonable assumptions, we further show that this bound may be improved to 10 -14 by considering the renormalization of other Lorentz-violating parameters that are more tightly constrained. Using similar renormalization arguments, we also estimate bounds on Lorentz-violating parameters in the pure gluonic sector of QCD

Integrated sorption and diffusion model for bentonite. Part 1. Clay-water interaction and sorption modeling in dispersed systems

International Nuclear Information System (INIS)

Tachi, Yukio; Suyama, Tadahiro; Ochs, Michael

2014-01-01

To predict the long-term migration of radionuclides (RNs) under variable conditions within the framework of safety analyses for geological disposal, thermodynamic sorption models are very powerful tools. The integrated sorption and diffusion (ISD) model for compacted bentonite was developed to achieve a consistent combination of clay–water interaction, sorption, and diffusion models. The basic premise considered in the ISD model was to consistently use the same simple surface model design and parameters for describing RNs sorption/diffusion as well as clay surface and porewater chemistry. A simple 1-site non-electrostatic surface complexation model in combination with a 1-site ion exchange model was selected to keep sorption model characteristics relatively robust for compacted systems. Fundamental parameters for the proposed model were evaluated from surface titration data for purified montmorillonite. The resulting basic model was then parameterized on the basis of selected published sorption data-sets for Np(V), Am(III), and U(VI) in dispersed systems, which cover a range of key geochemical conditions such as pH, ionic strength, and carbonate concentration. The sorption trends for these RNs can be quantitatively described by the model considering a full suite of surface species including hydrolytic and carbonate species. The application of these models to the description of diffusive-sorptive transport in compacted bentonites is presented in Part 2. (author)

A diffusive ink transport model for lipid dip-pen nanolithography.

Science.gov (United States)

Urtizberea, A; Hirtz, M

2015-10-14

Despite diverse applications, phospholipid membrane stacks generated by dip-pen nanolithography (DPN) still lack a thorough and systematic characterization that elucidates the whole ink transport process from writing to surface spreading, with the aim of better controlling the resulting feature size and resolution. We report a quantitative analysis and modeling of the dependence of lipid DPN features (area, height and volume) on dwell time and relative humidity. The ink flow rate increases with humidity in agreement with meniscus size growth, determining the overall feature size. The observed time dependence indicates the existence of a balance between surface spreading and the ink flow rate that promotes differences in concentration at the meniscus/substrate interface. Feature shape is controlled by the substrate surface energy. The results are analyzed within a modified model for the ink transport of diffusive inks. At any humidity the dependence of the area spread on the dwell time shows two diffusion regimes: at short dwell times growth is controlled by meniscus diffusion while at long dwell times surface diffusion governs the process. The critical point for the switch of regime depends on the humidity.

An extended five-stream model for diffusion of ion-implanted dopants in monocrystalline silicon

International Nuclear Information System (INIS)

Khina, B.B.

2007-01-01

Low-energy high-dose ion implantation of different dopants (P, Sb, As, B and others) into monocrystalline silicon with subsequent thermal annealing is used for the formation of ultra-shallow p-n junctions in modern VLSI circuit technology. During annealing, dopant activation and diffusion in silicon takes place. The experimentally observed phenomenon of transient enhanced diffusion (TED), which is typically ascribed to the interaction of diffusing species with non-equilibrium point defects accumulated in silicon due to ion damage, and formation of small clusters and extended defects, hinders further down scaling of p-n junctions in VLSI circuits. TED is currently a subject of extensive experimental and theoretical investigation in many binary and multicomponent systems. However, the state-of-the-art mathematical models of dopant diffusion, which are based on the so-called 'five-stream' approach, and modern TCAD software packages such as SUPREM-4 (by Silvaco Data Systems, Ltd.) that implement these models encounter severe difficulties in describing TED. Solving the intricate problem of TED suppression and development of novel regimes of ion implantation and rapid thermal annealing is impossible without elaboration of new mathematical models and computer simulation of this complex phenomenon. In this work, an extended five-stream model for diffusion in silicon is developed which takes into account all possible charge states of point defects (vacancies and silicon self-interstitials) and diffusing pairs 'dopant atom-vacancy' and 'dopant atom-silicon self-interstitial'. The model includes the drift terms for differently charged point defects and pairs in the internal electric field and the kinetics of interaction between unlike 'species' (generation and annihilation of pairs and annihilation of point defects). Expressions for diffusion coefficients and numerous sink/source terms that appear in the non-linear, non-steady-state reaction-diffusion equations are derived

Business models for maximising the diffusion of technological innovations for climate-smart agriculture

NARCIS (Netherlands)

Long, T.B.; Blok, V.; Poldner, Kim

2017-01-01

r, CSA technological innovation diffusion is subject to socio-economic barriers. The success of innovations is partly dependent on the business models that are used to diffuse them. Within the context of innovations for CSA, the role that innovation providers’ business models play in the successful

Multi-component fiber track modelling of diffusion-weighted magnetic resonance imaging data

Directory of Open Access Journals (Sweden)

Yasser M. Kadah

2010-01-01

Full Text Available In conventional diffusion tensor imaging (DTI based on magnetic resonance data, each voxel is assumed to contain a single component having diffusion properties that can be fully represented by a single tensor. Even though this assumption can be valid in some cases, the general case involves the mixing of components, resulting in significant deviation from the single tensor model. Hence, a strategy that allows the decomposition of data based on a mixture model has the potential of enhancing the diagnostic value of DTI. This project aims to work towards the development and experimental verification of a robust method for solving the problem of multi-component modelling of diffusion tensor imaging data. The new method demonstrates significant error reduction from the single-component model while maintaining practicality for clinical applications, obtaining more accurate Fiber tracking results.

Atomistic models of Cu diffusion in CuInSe2 under variations in composition

Science.gov (United States)

Sommer, David E.; Dunham, Scott T.

2018-03-01

We construct an analytic model for the composition dependence of the vacancy-mediated Cu diffusion coefficient in undoped CuInSe2 using parameters from density functional theory. The applicability of this model is supported numerically with kinetic lattice Monte Carlo and Onsager transport tensors. We discuss how this model relates to experimental measurements of Cu diffusion, arguing that our results can account for significant contributions to the bulk diffusion of Cu tracers in non-stoichiometric CuInSe2.

A diffusive model for halo width growth during vertical displacement events

International Nuclear Information System (INIS)

Eidietis, N.W.; Humphreys, D.A.

2011-01-01

The electromagnetic loads produced by halo currents during vertical displacement events (VDEs) impose stringent requirements on the strength of ITER in-vessel components. A predictive understanding of halo current evolution is essential for ensuring the robust design of these components. A significant factor determining that evolution is the plasma resistance, which is a function of three quantities: the resistivities of the core and halo regions, and the halo region width. A diffusive model of halo width growth during VDEs has been developed, which provides one part of a physics basis for predictive halo current simulations. The diffusive model was motivated by DIII-D observations that VDEs with cold post-thermal quench plasma and a current decay time much faster than the vertical motion (type I VDE) possess much wider halo region widths than warmer plasma VDEs, where the current decay is much slower than the vertical motion (type II). A 2D finite element code is used to model the diffusion of toroidal halo current during selected type I and type II DIII-D VDEs. The model assumes a core plasma region within the last closed flux surface (LCFS) diffusing current into a halo plasma filling the vessel outside the LCFS. LCFS motion and plasma temperature are prescribed from experimental observations. The halo width evolution produced by this model compares favourably with experimental measurements of type I and type II toroidal halo current width evolution.

Study of water diffusion on single-supported bilayer lipid membranes by quasielastic neutron scattering

DEFF Research Database (Denmark)

Bai, M.; Miskowiec, A.; Hansen, F. Y.

2012-01-01

High-energy-resolution quasielastic neutron scattering has been used to elucidate the diffusion of water molecules in proximity to single bilayer lipid membranes supported on a silicon substrate. By varying sample temperature, level of hydration, and deuteration, we identify three different types...... of diffusive water motion: bulk-like, confined, and bound. The motion of bulk-like and confined water molecules is fast compared to those bound to the lipid head groups (7-10 H2O molecules per lipid), which move on the same nanosecond time scale as H atoms within the lipid molecules. Copyright (C) EPLA, 2012...

Diffusion modelling of low-energy ion-implanted BF{sub 2} in crystalline silicon: Study of fluorine vacancy effect on boron diffusion

Energy Technology Data Exchange (ETDEWEB)

Marcon, J. [Laboratoire Electronique Microtechnologie et Instrumentation (LEMI), University of Rouen, 76821 Mont Saint Aignan (France)], E-mail: Jerome.Marcon@univ-rouen.fr; Merabet, A. [Laboratoire de Physique et Mecanique des Materiaux Metalliques, Departement d' O.M.P., Faculte des Sciences de l' Ingenieur, Universite de Setif, 19000 Setif (Algeria)

2008-12-05

We have investigated and modelled the diffusion of boron implanted into crystalline silicon in the form of boron difluoride BF{sub 2}{sup +}. We have used published data for BF{sub 2}{sup +} implanted with an energy of 2.2 keV in crystalline silicon. Fluorine effects are considered by using vacancy-fluorine pairs which are responsible for the suppression of boron diffusion in crystalline silicon. Following Uematsu's works, the simulations satisfactory reproduce the SIMS experimental profiles in the 800-1000 deg. C temperature range. The boron diffusion model in silicon of Uematsu has been improved taking into account the last experimental data.

The tightly bound nuclei in the liquid drop model

Science.gov (United States)

Sree Harsha, N. R.

2018-05-01

In this paper, we shall maximise the binding energy per nucleon function in the semi-empirical mass formula of the liquid drop model of the atomic nuclei to analytically prove that the mean binding energy per nucleon curve has local extrema at A ≈ 58.6960, Z ≈ 26.3908 and at A ≈ 62.0178, Z ≈ 27.7506. The Lagrange method of multipliers is used to arrive at these results, while we have let the values of A and Z take continuous fractional values. The shell model that shows why 62Ni is the most tightly bound nucleus is outlined. A brief account on stellar nucleosynthesis is presented to show why 56Fe is more abundant than 62Ni and 58Fe. We believe that the analytical proof presented in this paper can be a useful tool to the instructors to introduce the nucleus with the highest mean binding energy per nucleon.

Recommendation based on trust diffusion model.

Science.gov (United States)

Yuan, Jinfeng; Li, Li

2014-01-01

Recommender system is emerging as a powerful and popular tool for online information relevant to a given user. The traditional recommendation system suffers from the cold start problem and the data sparsity problem. Many methods have been proposed to solve these problems, but few can achieve satisfactory efficiency. In this paper, we present a method which combines the trust diffusion (DiffTrust) algorithm and the probabilistic matrix factorization (PMF). DiffTrust is first used to study the possible diffusions of trust between various users. It is able to make use of the implicit relationship of the trust network, thus alleviating the data sparsity problem. The probabilistic matrix factorization (PMF) is then employed to combine the users' tastes with their trusted friends' interests. We evaluate the algorithm on Flixster, Moviedata, and Epinions datasets, respectively. The experimental results show that the recommendation based on our proposed DiffTrust + PMF model achieves high performance in terms of the root mean square error (RMSE), Recall, and F Measure.

HDDM: Hierarchical Bayesian estimation of the Drift-Diffusion Model in Python.

Science.gov (United States)

Wiecki, Thomas V; Sofer, Imri; Frank, Michael J

2013-01-01

The diffusion model is a commonly used tool to infer latent psychological processes underlying decision-making, and to link them to neural mechanisms based on response times. Although efficient open source software has been made available to quantitatively fit the model to data, current estimation methods require an abundance of response time measurements to recover meaningful parameters, and only provide point estimates of each parameter. In contrast, hierarchical Bayesian parameter estimation methods are useful for enhancing statistical power, allowing for simultaneous estimation of individual subject parameters and the group distribution that they are drawn from, while also providing measures of uncertainty in these parameters in the posterior distribution. Here, we present a novel Python-based toolbox called HDDM (hierarchical drift diffusion model), which allows fast and flexible estimation of the the drift-diffusion model and the related linear ballistic accumulator model. HDDM requires fewer data per subject/condition than non-hierarchical methods, allows for full Bayesian data analysis, and can handle outliers in the data. Finally, HDDM supports the estimation of how trial-by-trial measurements (e.g., fMRI) influence decision-making parameters. This paper will first describe the theoretical background of the drift diffusion model and Bayesian inference. We then illustrate usage of the toolbox on a real-world data set from our lab. Finally, parameter recovery studies show that HDDM beats alternative fitting methods like the χ(2)-quantile method as well as maximum likelihood estimation. The software and documentation can be downloaded at: http://ski.clps.brown.edu/hddm_docs/

HDDM: Hierarchical Bayesian estimation of the Drift-Diffusion Model in Python

Directory of Open Access Journals (Sweden)

Thomas V Wiecki

2013-08-01

Full Text Available The diffusion model is a commonly used tool to infer latent psychological processes underlying decision making, and to link them to neural mechanisms based on reaction times. Although efficient open source software has been made available to quantitatively fit the model to data, current estimation methods require an abundance of reaction time measurements to recover meaningful parameters, and only provide point estimates of each parameter. In contrast, hierarchical Bayesian parameter estimation methods are useful for enhancing statistical power, allowing for simultaneous estimation of individual subject parameters and the group distribution that they are drawn from, while also providing measures of uncertainty in these parameters in the posterior distribution. Here, we present a novel Python-based toolbox called HDDM (hierarchical drift diffusion model, which allows fast and flexible estimation of the the drift-diffusion model and the related linear ballistic accumulator model. HDDM requires fewer data per subject / condition than non-hierarchical method, allows for full Bayesian data analysis, and can handle outliers in the data. Finally, HDDM supports the estimation of how trial-by-trial measurements (e.g. fMRI influence decision making parameters. This paper will first describe the theoretical background of drift-diffusion model and Bayesian inference. We then illustrate usage of the toolbox on a real-world data set from our lab. Finally, parameter recovery studies show that HDDM beats alternative fitting methods like the chi-quantile method as well as maximum likelihood estimation. The software and documentation can be downloaded at: http://ski.clps.brown.edu/hddm_docs

Covariant entropy bound and loop quantum cosmology

International Nuclear Information System (INIS)

Ashtekar, Abhay; Wilson-Ewing, Edward

2008-01-01

We examine Bousso's covariant entropy bound conjecture in the context of radiation filled, spatially flat, Friedmann-Robertson-Walker models. The bound is violated near the big bang. However, the hope has been that quantum gravity effects would intervene and protect it. Loop quantum cosmology provides a near ideal setting for investigating this issue. For, on the one hand, quantum geometry effects resolve the singularity and, on the other hand, the wave function is sharply peaked at a quantum corrected but smooth geometry, which can supply the structure needed to test the bound. We find that the bound is respected. We suggest that the bound need not be an essential ingredient for a quantum gravity theory but may emerge from it under suitable circumstances.

A combinatorial model of malware diffusion via bluetooth connections.

Directory of Open Access Journals (Sweden)

Stefano Merler

Full Text Available We outline here the mathematical expression of a diffusion model for cellphones malware transmitted through Bluetooth channels. In particular, we provide the deterministic formula underlying the proposed infection model, in its equivalent recursive (simple but computationally heavy and closed form (more complex but efficiently computable expression.

From superWIMPs to decaying dark matter. Models, bounds and indirect searches

International Nuclear Information System (INIS)

Weniger, Christoph

2010-06-01

Despite lots of observational and theoretical efforts, the particle nature of dark matter remains unknown. Beyond the paradigmatic WIMPs (Weakly Interacting Massive Particles), many theoretically well motivated models exist where dark matter interacts much more weakly than electroweak with Standard Model particles. In this case new phenomena occur, like the decay of dark matter or the interference with the standard cosmology of the early Universe. In this thesis we study some of these aspects of superweakly coupled dark matter in general, and in the special case of hidden U(1) X gauginos that kinetically mix with hypercharge. There, we will assume that the gauge group remains unbroken, similar to the Standard Model U(1) em . We study different kinds of cosmological bounds, including bounds from thermal overproduction, from primordial nucleosynthesis and from structure formation. Furthermore, we study the possible cosmic-ray signatures predicted by this scenario, with emphasis on the electron and positron channel in light of the recent observations by PAMELA and Fermi LAT. Moreover we study the cosmic-ray signatures of decaying dark matter independently of concrete particle-physics models. In particular we analyze in how far the rise in the positron fraction above 10 GeV, as observed by PAMELA, can be explained by dark matter decay. Lastly, we concentrate on related predictions for gamma-ray observations with the Fermi LAT, and propose to use the dipole-like anisotropy of the prompt gamma-ray dark matter signal to distinguish exotic dark matter contributions from the extragalactic gamma-ray background. (orig.)

From superWIMPs to decaying dark matter. Models, bounds and indirect searches

Energy Technology Data Exchange (ETDEWEB)

Weniger, Christoph

2010-06-15

Despite lots of observational and theoretical efforts, the particle nature of dark matter remains unknown. Beyond the paradigmatic WIMPs (Weakly Interacting Massive Particles), many theoretically well motivated models exist where dark matter interacts much more weakly than electroweak with Standard Model particles. In this case new phenomena occur, like the decay of dark matter or the interference with the standard cosmology of the early Universe. In this thesis we study some of these aspects of superweakly coupled dark matter in general, and in the special case of hidden U(1){sub X} gauginos that kinetically mix with hypercharge. There, we will assume that the gauge group remains unbroken, similar to the Standard Model U(1){sub em}. We study different kinds of cosmological bounds, including bounds from thermal overproduction, from primordial nucleosynthesis and from structure formation. Furthermore, we study the possible cosmic-ray signatures predicted by this scenario, with emphasis on the electron and positron channel in light of the recent observations by PAMELA and Fermi LAT. Moreover we study the cosmic-ray signatures of decaying dark matter independently of concrete particle-physics models. In particular we analyze in how far the rise in the positron fraction above 10 GeV, as observed by PAMELA, can be explained by dark matter decay. Lastly, we concentrate on related predictions for gamma-ray observations with the Fermi LAT, and propose to use the dipole-like anisotropy of the prompt gamma-ray dark matter signal to distinguish exotic dark matter contributions from the extragalactic gamma-ray background. (orig.)

Circuit lower bounds in bounded arithmetics

Czech Academy of Sciences Publication Activity Database

Pich, Ján

2015-01-01

Roč. 166, č. 1 (2015), s. 29-45 ISSN 0168-0072 R&D Projects: GA AV ČR IAA100190902 Keywords : bounded arithmetic * circuit lower bounds Subject RIV: BA - General Mathematics Impact factor: 0.582, year: 2015 http://www.sciencedirect.com/science/article/pii/S0168007214000888

Diffusion of innovations in Axelrod’s model

Science.gov (United States)

Tilles, Paulo F. C.; Fontanari, José F.

2015-11-01

Axelrod's model for the dissemination of culture contains two key factors required to model the process of diffusion of innovations, namely, social influence (i.e., individuals become more similar when they interact) and homophily (i.e., individuals interact preferentially with similar others). The strength of these social influences are controlled by two parameters: $F$, the number of features that characterizes the cultures and $q$, the common number of states each feature can assume. Here we assume that the innovation is a new state of a cultural feature of a single individual -- the innovator -- and study how the innovation spreads through the networks among the individuals. For infinite regular lattices in one (1D) and two dimensions (2D), we find that initially the successful innovation spreads linearly with the time $t$, but in the long-time limit it spreads diffusively ($\\sim t^{1/2}$) in 1D and sub-diffusively ($\\sim t/\\ln t$) in 2D. For finite lattices, the growth curves for the number of adopters are typically concave functions of $t$. For random graphs with a finite number of nodes $N$, we argue that the classical S-shaped growth curves result from a trade-off between the average connectivity $K$ of the graph and the per feature diversity $q$. A large $q$ is needed to reduce the pace of the initial spreading of the innovation and thus delimit the early-adopters stage, whereas a large $K$ is necessary to ensure the onset of the take-off stage at which the number of adopters grows superlinearly with $t$. In an infinite random graph we find that the number of adopters of a successful innovation scales with $t^\\gamma$ with $\\gamma =1$ for $K> 2$ and $1/2 < \\gamma < 1$ for $K=2$. We suggest that the exponent $\\gamma$ may be a useful index to characterize the process of diffusion of successful innovations in diverse scenarios.

Theoretical modeling of heating and structure alterations in cartilage under laser radiation with regard to water evaporation and diffusion dominance

Science.gov (United States)

Sobol, Emil N.; Kitai, Moishe S.; Jones, Nicholas; Sviridov, Alexander P.; Milner, Thomas E.; Wong, Brian

1998-05-01

We develop a theoretical model to calculate the temperature field and the size of modified structure area in cartilaginous tissue. The model incorporates both thermal and mass transfer in a tissue regarding bulk absorption of laser radiation, water evaporation from a surface and temperature dependence of diffusion coefficient. It is proposed that due to bound- to free-phase transition of water in cartilage heated to about 70 degrees Celsius, some parts of cartilage matrix (proteoglycan units) became more mobile. The movement of these units takes place only when temperature exceed 70 degrees Celsius and results in alteration of tissue structure (denaturation). It is shown that (1) the maximal temperature is reached not on the surface irradiated at some distance from the surface; (2) surface temperature reaches a plateau quicker that the maximal temperature; (3) the depth of denatured area strongly depends on laser fluence and wavelength, exposure time and thickness of cartilage. The model allows to predict and control temperature and depth of structure alterations in the course of laser reshaping and treatment of cartilage.

Microstructural changes in ischemic cortical gray matter predicted by a model of diffusion-weighted MRI

DEFF Research Database (Denmark)

Vestergaard-Poulsen, Peter; Hansen, Brian; Østergaard, Leif

2007-01-01

compartment. A global optimum was found from a wide range of parameter permutations using cluster computing. We also present simulations of cell swelling and changes of exchange rate and intracellular diffusion as possible cellular mechanisms in ischemia. RESULTS: Our model estimates an extracellular volume...... compartments and slow water exchange. Our model reproduces the signal changes observed in ischemia via physiologically credible mechanisms. CONCLUSION: Our modeling suggests that transverse relaxation has a profound influence on the diffusion attenuated MR signal. Our simulations indicate cell swelling...... model to the diffusion-weighted MR signal obtained from cortical gray matter in healthy subjects. Our model includes variable volume fractions, intracellular restriction effects, and exchange between compartments in addition to individual diffusion coefficients and transverse relaxation rates for each...

Polarized quark distributions in bound nucleon and polarized EMC effect in Thermodynamical Bag Model

Energy Technology Data Exchange (ETDEWEB)

Ganesamurthy, Kuppusamy, E-mail: udckgm@sify.co [Research Department of Physics, Urumu Dhanalakshmi College, Trichy 620019 (India); Sambasivam, Raghavan, E-mail: udcsam@sify.co [Research Department of Physics, Urumu Dhanalakshmi College, Trichy 620019 (India)

2011-04-15

The polarized parton distribution functions (PDFs) and nuclear structure functions are evaluated by the phenomenological Thermodynamical Bag Model for nuclear media {sup 7}Li and {sup 27}Al. The Fermi statistical distribution function which includes the spin degree of freedom is used in this statistical model. We predict a sizeable polarized EMC effect. The results of quark spin sum and axial coupling constant of bound nucleons are compared with theoretical predictions of modified Nambu-Jona-Lasinio (NJL) model by Bentz et al.

Hybrid approaches for multiple-species stochastic reaction–diffusion models

International Nuclear Information System (INIS)

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. - 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

Hybrid approaches for multiple-species stochastic reaction–diffusion models

Energy Technology Data Exchange (ETDEWEB)

Spill, Fabian, E-mail: fspill@bu.edu [Department of Biomedical Engineering, Boston University, 44 Cummington Street, Boston, MA 02215 (United States); Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Guerrero, Pilar [Department of Mathematics, University College London, Gower Street, London WC1E 6BT (United Kingdom); Alarcon, Tomas [Centre de Recerca Matematica, Campus de Bellaterra, Edifici C, 08193 Bellaterra (Barcelona) (Spain); Departament de Matemàtiques, Universitat Atonòma de Barcelona, 08193 Bellaterra (Barcelona) (Spain); Maini, Philip K. [Wolfson Centre for Mathematical Biology, Mathematical Institute, University of Oxford, Oxford OX2 6GG (United Kingdom); Byrne, Helen [Wolfson Centre for Mathematical Biology, Mathematical Institute, University of Oxford, Oxford OX2 6GG (United Kingdom); Computational Biology Group, Department of Computer Science, University of Oxford, Oxford OX1 3QD (United Kingdom)

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.

A non-local structural derivative model for characterization of ultraslow diffusion in dense colloids

Science.gov (United States)

Liang, Yingjie; Chen, Wen

2018-03-01

Ultraslow diffusion has been observed in numerous complicated systems. Its mean squared displacement (MSD) is not a power law function of time, but instead a logarithmic function, and in some cases grows even more slowly than the logarithmic rate. The distributed-order fractional diffusion equation model simply does not work for the general ultraslow diffusion. Recent study has used the local structural derivative to describe ultraslow diffusion dynamics by using the inverse Mittag-Leffler function as the structural function, in which the MSD is a function of inverse Mittag-Leffler function. In this study, a new stretched logarithmic diffusion law and its underlying non-local structural derivative diffusion model are proposed to characterize the ultraslow diffusion in aging dense colloidal glass at both the short and long waiting times. It is observed that the aging dynamics of dense colloids is a class of the stretched logarithmic ultraslow diffusion processes. Compared with the power, the logarithmic, and the inverse Mittag-Leffler diffusion laws, the stretched logarithmic diffusion law has better precision in fitting the MSD of the colloidal particles at high densities. The corresponding non-local structural derivative diffusion equation manifests clear physical mechanism, and its structural function is equivalent to the first-order derivative of the MSD.

Boundary fluxes for nonlocal diffusion

Science.gov (United States)

Cortazar, Carmen; Elgueta, Manuel; Rossi, Julio D.; Wolanski, Noemi

We study a nonlocal diffusion operator in a bounded smooth domain prescribing the flux through the boundary. This problem may be seen as a generalization of the usual Neumann problem for the heat equation. First, we prove existence, uniqueness and a comparison principle. Next, we study the behavior of solutions for some prescribed boundary data including blowing up ones. Finally, we look at a nonlinear flux boundary condition.