A Simplified Model of Moisture Transport in Hydrophilic Porous Media With Applications to Pharmaceutical Tablets.

PubMed

Klinzing, Gerard R; Zavaliangos, Antonios

2016-08-01

This work establishes a predictive model that explicitly recognizes microstructural parameters in the description of the overall mass uptake and local gradients of moisture into tablets. Model equations were formulated based on local tablet geometry to describe the transient uptake of moisture. An analytical solution to a simplified set of model equations was solved to predict the overall mass uptake and moisture gradients with the tablets. The analytical solution takes into account individual diffusion mechanisms in different scales of porosity and diffusion into the solid phase. The time constant of mass uptake was found to be a function of several key material properties, such as tablet relative density, pore tortuosity, and equilibrium moisture content of the material. The predictions of the model are in excellent agreement with experimental results for microcrystalline cellulose tablets without the need for parameter fitting. The model presented provides a new method to analyze the transient uptake of moisture into hydrophilic materials with the knowledge of only a few fundamental material and microstructural parameters. In addition, the model allows for quick and insightful predictions of moisture diffusion for a variety of practical applications including pharmaceutical tablets, porous polymer systems, or cementitious materials. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Efficient micromagnetic modelling of spin-transfer torque and spin-orbit torque

NASA Astrophysics Data System (ADS)

Abert, Claas; Bruckner, Florian; Vogler, Christoph; Suess, Dieter

2018-05-01

While the spin-diffusion model is considered one of the most complete and accurate tools for the description of spin transport and spin torque, its solution in the context of dynamical micromagnetic simulations is numerically expensive. We propose a procedure to retrieve the free parameters of a simple macro-spin like spin-torque model through the spin-diffusion model. In case of spin-transfer torque the simplified model complies with the model of Slonczewski. A similar model can be established for the description of spin-orbit torque. In both cases the spin-diffusion model enables the retrieval of free model parameters from the geometry and the material parameters of the system. Since these parameters usually have to be determined phenomenologically through experiments, the proposed method combines the strength of the diffusion model to resolve material parameters and geometry with the high performance of simple torque models.

MODELING NITROGEN-CARBON CYCLING AND OXYGEN CONSUMPTION IN BOTTOM SEDIMENTS

EPA Science Inventory

A model framework is presented for simulating nitrogen and carbon cycling at the sediment–water interface, and predicting oxygen consumption by oxidation reactions inside the sediments. Based on conservation of mass and invoking simplifying assumptions, a coupled system of diffus...

Particle Transport through Scattering Regions with Clear Layers and Inclusions

NASA Astrophysics Data System (ADS)

Bal, Guillaume

2002-08-01

This paper introduces generalized diffusion models for the transport of particles in scattering media with nonscattering inclusions. Classical diffusion is known as a good approximation of transport only in scattering media. Based on asymptotic expansions and the coupling of transport and diffusion models, generalized diffusion equations with nonlocal interface conditions are proposed which offer a computationally cheap, yet accurate, alternative to solving the full phase-space transport equations. The paper shows which computational model should be used depending on the size and shape of the nonscattering inclusions in the simplified setting of two space dimensions. An important application is the treatment of clear layers in near-infrared (NIR) spectroscopy, an imaging technique based on the propagation of NIR photons in human tissues.

Modeling transport kinetics in clinoptilolite-phosphate rock systems

NASA Technical Reports Server (NTRS)

Allen, E. R.; Ming, D. W.; Hossner, L. R.; Henninger, D. L.

1995-01-01

Nutrient release in clinoptilolite-phosphate rock (Cp-PR) systems occurs through dissolution and cation-exchange reactions. Investigating the kinetics of these reactions expands our understanding of nutrient release processes. Research was conducted to model transport kinetics of nutrient release in Cp-PR systems. The objectives were to identify empirical models that best describe NH4, K, and P release and define diffusion-controlling processes. Materials included a Texas clinoptilolite (Cp) and North Carolina phosphate rock (PR). A continuous-flow thin-disk technique was used. Models evaluated included zero order, first order, second order, parabolic diffusion, simplified Elovich, Elovich, and power function. The power-function, Elovich, and parabolic-diffusion models adequately described NH4, K, and P release. The power-function model was preferred because of its simplicity. Models indicated nutrient release was diffusion controlled. Primary transport processes controlling nutrient release for the time span observed were probably the result of a combination of several interacting transport mechanisms.

High-fidelity meshes from tissue samples for diffusion MRI simulations.

PubMed

Panagiotaki, Eleftheria; Hall, Matt G; Zhang, Hui; Siow, Bernard; Lythgoe, Mark F; Alexander, Daniel C

2010-01-01

This paper presents a method for constructing detailed geometric models of tissue microstructure for synthesizing realistic diffusion MRI data. We construct three-dimensional mesh models from confocal microscopy image stacks using the marching cubes algorithm. Random-walk simulations within the resulting meshes provide synthetic diffusion MRI measurements. Experiments optimise simulation parameters and complexity of the meshes to achieve accuracy and reproducibility while minimizing computation time. Finally we assess the quality of the synthesized data from the mesh models by comparison with scanner data as well as synthetic data from simple geometric models and simplified meshes that vary only in two dimensions. The results support the extra complexity of the three-dimensional mesh compared to simpler models although sensitivity to the mesh resolution is quite robust.

Laboratory longitudinal diffusion tests: 1. Dimensionless formulations and validity of simplified solutions

NASA Astrophysics Data System (ADS)

Takeda, M.; Nakajima, H.; Zhang, M.; Hiratsuka, T.

2008-04-01

To obtain reliable diffusion parameters for diffusion testing, multiple experiments should not only be cross-checked but the internal consistency of each experiment should also be verified. In the through- and in-diffusion tests with solution reservoirs, test interpretation of different phases often makes use of simplified analytical solutions. This study explores the feasibility of steady, quasi-steady, equilibrium and transient-state analyses using simplified analytical solutions with respect to (i) valid conditions for each analytical solution, (ii) potential error, and (iii) experimental time. For increased generality, a series of numerical analyses are performed using unified dimensionless parameters and the results are all related to dimensionless reservoir volume (DRV) which includes only the sorptive parameter as an unknown. This means the above factors can be investigated on the basis of the sorption properties of the testing material and/or tracer. The main findings are that steady, quasi-steady and equilibrium-state analyses are applicable when the tracer is not highly sorptive. However, quasi-steady and equilibrium-state analyses become inefficient or impractical compared to steady state analysis when the tracer is non-sorbing and material porosity is significantly low. Systematic and comprehensive reformulation of analytical models enables the comparison of experimental times between different test methods. The applicability and potential error of each test interpretation can also be studied. These can be applied in designing, performing, and interpreting diffusion experiments by deducing DRV from the available information for the target material and tracer, combined with the results of this study.

Quantitative model of diffuse speckle contrast analysis for flow measurement.

PubMed

Liu, Jialin; Zhang, Hongchao; Lu, Jian; Ni, Xiaowu; Shen, Zhonghua

2017-07-01

Diffuse speckle contrast analysis (DSCA) is a noninvasive optical technique capable of monitoring deep tissue blood flow. However, a detailed study of the speckle contrast model for DSCA has yet to be presented. We deduced the theoretical relationship between speckle contrast and exposure time and further simplified it to a linear approximation model. The feasibility of this linear model was validated by the liquid phantoms which demonstrated that the slope of this linear approximation was able to rapidly determine the Brownian diffusion coefficient of the turbid media at multiple distances using multiexposure speckle imaging. Furthermore, we have theoretically quantified the influence of optical property on the measurements of the Brownian diffusion coefficient which was a consequence of the fact that the slope of this linear approximation was demonstrated to be equal to the inverse of correlation time of the speckle.

Multigrid methods for numerical simulation of laminar diffusion flames

NASA Technical Reports Server (NTRS)

Liu, C.; Liu, Z.; Mccormick, S.

1993-01-01

This paper documents the result of a computational study of multigrid methods for numerical simulation of 2D diffusion flames. The focus is on a simplified combustion model, which is assumed to be a single step, infinitely fast and irreversible chemical reaction with five species (C3H8, O2, N2, CO2 and H2O). A fully-implicit second-order hybrid scheme is developed on a staggered grid, which is stretched in the streamwise coordinate direction. A full approximation multigrid scheme (FAS) based on line distributive relaxation is developed as a fast solver for the algebraic equations arising at each time step. Convergence of the process for the simplified model problem is more than two-orders of magnitude faster than other iterative methods, and the computational results show good grid convergence, with second-order accuracy, as well as qualitatively agreement with the results of other researchers.

A Hele-Shaw-Cahn-Hilliard Model for Incompressible Two-Phase Flows with Different Densities

NASA Astrophysics Data System (ADS)

Dedè, Luca; Garcke, Harald; Lam, Kei Fong

2017-07-01

Topology changes in multi-phase fluid flows are difficult to model within a traditional sharp interface theory. Diffuse interface models turn out to be an attractive alternative to model two-phase flows. Based on a Cahn-Hilliard-Navier-Stokes model introduced by Abels et al. (Math Models Methods Appl Sci 22(3):1150013, 2012), which uses a volume-averaged velocity, we derive a diffuse interface model in a Hele-Shaw geometry, which in the case of non-matched densities, simplifies an earlier model of Lee et al. (Phys Fluids 14(2):514-545, 2002). We recover the classical Hele-Shaw model as a sharp interface limit of the diffuse interface model. Furthermore, we show the existence of weak solutions and present several numerical computations including situations with rising bubbles and fingering instabilities.

Monte Carlo simulation of the back-diffusion of electrons in nitrogen

NASA Astrophysics Data System (ADS)

Radmilović-Radjenović, M.; Nina, A.; Nikitović, Ž.

2009-01-01

In this paper, the process of back-diffusion in nitrogen is studied by means of Monte Carlo simulations. In particular we analyze the influence of different aspects of back-diffusion in order to simplify the models of plasma displays, low pressure gas breakdown and detectors of high energy particles. The obtained simulation results show that the escape coefficient depends strongly on the reflection coefficient and the initial energy of electrons. It was also found that the back-diffusion range and number of collisions before returning to the cathode in nitrogen are smaller than those in argon for similar conditions.

A multifluid model extended for strong temperature nonequilibrium

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

Chang, Chong

2016-08-08

We present a multifluid model in which the material temperature is strongly affected by the degree of segregation of each material. In order to track temperatures of segregated form and mixed form of the same material, they are defined as different materials with their own energy. This extension makes it necessary to extend multifluid models to the case in which each form is defined as a separate material. Statistical variations associated with the morphology of the mixture have to be simplified. Simplifications introduced include combining all molecularly mixed species into a single composite material, which is treated as another segregatedmore » material. Relative motion within the composite material, diffusion, is represented by material velocity of each component in the composite material. Compression work, momentum and energy exchange, virtual mass forces, and dissipation of the unresolved kinetic energy have been generalized to the heterogeneous mixture in temperature nonequilibrium. The present model can be further simplified by combining all mixed forms of materials into a composite material. Molecular diffusion in this case is modeled by the Stefan-Maxwell equations.« less

Diffusion of residual monomer in polymer resins.

PubMed Central

Piver, W T

1976-01-01

A simplified mathematical model which made use of Fick's laws of diffusion written in spherical coordinates was developed to describe the rate of diffusion of residual monomers from polymer resins. The properties of the monomer-polymer system which influenced the amount of monomer remaining in the polymer as a function of time were the diffusivity and solubility of the monomer in the polymer, and the particle size of the polymer resin. This model was used to analyze literature data on the diffusion of residual vinyl chloride monomer in polyvinyl chloride resins made by the suspension process. It was concluded that particle size of the resin was a significant parameter which should be taken advantage of in process equipment designed to remove residual monomer from PVC resins. The diffusivity of the monomer in the polymer was a function of the solubility of the monomer in the polymer. Monomer solubility can be determined from Henry's law. It was suggested that this model could be adapted to describe diffusion of monomers from any monomer-polymer system, and would be a useful approach to modeling the transport of nonreactive chemical additives from plastics. PMID:1026410

Pore-scale modeling of phase change in porous media

NASA Astrophysics Data System (ADS)

Juanes, Ruben; Cueto-Felgueroso, Luis; Fu, Xiaojing

2017-11-01

One of the main open challenges in pore-scale modeling is the direct simulation of flows involving multicomponent mixtures with complex phase behavior. Reservoir fluid mixtures are often described through cubic equations of state, which makes diffuse interface, or phase field theories, particularly appealing as a modeling framework. What is still unclear is whether equation-of-state-driven diffuse-interface models can adequately describe processes where surface tension and wetting phenomena play an important role. Here we present a diffuse interface model of single-component, two-phase flow (a van der Waals fluid) in a porous medium under different wetting conditions. We propose a simplified Darcy-Korteweg model that is appropriate to describe flow in a Hele-Shaw cell or a micromodel, with a gap-averaged velocity. We study the ability of the diffuse-interface model to capture capillary pressure and the dynamics of vaporization/condensation fronts, and show that the model reproduces pressure fluctuations that emerge from abrupt interface displacements (Haines jumps) and from the break-up of wetting films.

Urban stormwater inundation simulation based on SWMM and diffusive overland-flow model.

PubMed

Chen, Wenjie; Huang, Guoru; Zhang, Han

2017-12-01

With rapid urbanization, inundation-induced property losses have become more and more severe. Urban inundation modeling is an effective way to reduce these losses. This paper introduces a simplified urban stormwater inundation simulation model based on the United States Environmental Protection Agency Storm Water Management Model (SWMM) and a geographic information system (GIS)-based diffusive overland-flow model. SWMM is applied for computation of flows in storm sewer systems and flooding flows at junctions, while the GIS-based diffusive overland-flow model simulates surface runoff and inundation. One observed rainfall scenario on Haidian Island, Hainan Province, China was chosen to calibrate the model and the other two were used for validation. Comparisons of the model results with field-surveyed data and InfoWorks ICM (Integrated Catchment Modeling) modeled results indicated the inundation model in this paper can provide inundation extents and reasonable inundation depths even in a large study area.

A diffuse radar scattering model from Martian surface rocks

NASA Technical Reports Server (NTRS)

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.

Mathematical analysis of a sharp-diffuse interfaces model for seawater intrusion

NASA Astrophysics Data System (ADS)

Choquet, C.; Diédhiou, M. M.; Rosier, C.

2015-10-01

We consider a new model mixing sharp and diffuse interface approaches for seawater intrusion phenomena in free aquifers. More precisely, a phase field model is introduced in the boundary conditions on the virtual sharp interfaces. We thus include in the model the existence of diffuse transition zones but we preserve the simplified structure allowing front tracking. The three-dimensional problem then reduces to a two-dimensional model involving a strongly coupled system of partial differential equations of parabolic type describing the evolution of the depths of the two free surfaces, that is the interface between salt- and freshwater and the water table. We prove the existence of a weak solution for the model completed with initial and boundary conditions. We also prove that the depths of the two interfaces satisfy a coupled maximum principle.

A new frequency domain analytical solution of a cascade of diffusive channels for flood routing

NASA Astrophysics Data System (ADS)

Cimorelli, Luigi; Cozzolino, Luca; Della Morte, Renata; Pianese, Domenico; Singh, Vijay P.

2015-04-01

Simplified flood propagation models are often employed in practical applications for hydraulic and hydrologic analyses. In this paper, we present a new numerical method for the solution of the Linear Parabolic Approximation (LPA) of the De Saint Venant equations (DSVEs), accounting for the space variation of model parameters and the imposition of appropriate downstream boundary conditions. The new model is based on the analytical solution of a cascade of linear diffusive channels in the Laplace Transform domain. The time domain solutions are obtained using a Fourier series approximation of the Laplace Inversion formula. The new Inverse Laplace Transform Diffusive Flood Routing model (ILTDFR) can be used as a building block for the construction of real-time flood forecasting models or in optimization models, because it is unconditionally stable and allows fast and fairly precise computation.

Role of gravity in preparative electrophoresis

NASA Technical Reports Server (NTRS)

Bier, M.

1975-01-01

The fundamental formulas of electrophoresis are derived microscopically and applied to the problem of isotachophoresis. A simple physical model of the isotachophoresis front is proposed. The front motion and structure are studied in the simplified case without convection, diffusion and non-electric external forces.

Three-dimensional flow of Prandtl fluid with Cattaneo-Christov double diffusion

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Aziz, Arsalan; Muhammad, Taseer; Alsaedi, Ahmed

2018-06-01

This research paper intends to investigate the 3D flow of Prandtl liquid in the existence of improved heat conduction and mass diffusion models. Flow is created by considering linearly bidirectional stretchable sheet. Thermal and concentration diffusions are considered by employing Cattaneo-Christov double diffusion models. Boundary layer approach has been used to simplify the governing PDEs. Suitable nondimensional similarity variables correspond to strong nonlinear ODEs. Optimal homotopy analysis method (OHAM) is employed for solutions development. The role of various pertinent variables on temperature and concentration are analyzed through graphs. The physical quantities such as surface drag coefficients and heat and mass transfer rates at the wall are also plotted and discussed. Our results indicate that the temperature and concentration are decreasing functions of thermal and concentration relaxation parameters respectively.

A Simplified Ab Initio Cosmic-ray Modulation Model with Simulated Time Dependence and Predictive Capability

NASA Astrophysics Data System (ADS)

Moloto, K. D.; Engelbrecht, N. E.; Burger, R. A.

2018-06-01

A simplified ab initio approach is followed to model cosmic-ray proton modulation, using a steady-state three-dimensional stochastic solver of the Parker transport equation that simulates some effects of time dependence. Standard diffusion coefficients based on Quasilinear Theory and Nonlinear Guiding Center Theory are employed. The spatial and temporal dependences of the various turbulence quantities required as inputs for the diffusion, as well as the turbulence-reduced drift coefficients, follow from parametric fits to results from a turbulence transport model as well as from spacecraft observations of these turbulence quantities. Effective values are used for the solar wind speed, magnetic field magnitude, and tilt angle in the modulation model to simulate temporal effects due to changes in the large-scale heliospheric plasma. The unusually high cosmic-ray intensities observed during the 2009 solar minimum follow naturally from the current model for most of the energies considered. This demonstrates that changes in turbulence contribute significantly to the high intensities during that solar minimum. We also discuss and illustrate how this model can be used to predict future cosmic-ray intensities, and comment on the reliability of such predictions.

Physics, Techniques and Review of Neuroradiological Applications of Diffusion Kurtosis Imaging (DKI).

PubMed

Marrale, M; Collura, G; Brai, M; Toschi, N; Midiri, F; La Tona, G; Lo Casto, A; Gagliardo, C

2016-12-01

In recent years many papers about diagnostic applications of diffusion tensor imaging (DTI) have been published. This is because DTI allows to evaluate in vivo and in a non-invasive way the process of diffusion of water molecules in biological tissues. However, the simplified description of the diffusion process assumed in DTI does not permit to completely map the complex underlying cellular components and structures, which hinder and restrict the diffusion of water molecules. These limitations can be partially overcome by means of diffusion kurtosis imaging (DKI). The aim of this paper is the description of the theory of DKI, a new topic of growing interest in radiology. DKI is a higher order diffusion model that is a straightforward extension of the DTI model. Here, we analyze the physics underlying this method, we report our MRI acquisition protocol with the preprocessing pipeline used and the DKI parametric maps obtained on a 1.5 T scanner, and we review the most relevant clinical applications of this technique in various neurological diseases.

How to Decide on Modeling Details: Risk and Benefit Assessment.

PubMed

Özilgen, Mustafa

Mathematical models based on thermodynamic, kinetic, heat, and mass transfer analysis are central to this chapter. Microbial growth, death, enzyme inactivation models, and the modeling of material properties, including those pertinent to conduction and convection heating, mass transfer, such as diffusion and convective mass transfer, and thermodynamic properties, such as specific heat, enthalpy, and Gibbs free energy of formation and specific chemical exergy are also needed in this task. The origins, simplifying assumptions, and uses of model equations are discussed in this chapter, together with their benefits. The simplified forms of these models are sometimes referred to as "laws," such as "the first law of thermodynamics" or "Fick's second law." Starting to modeling a study with such "laws" without considering the conditions under which they are valid runs the risk of ending up with erronous conclusions. On the other hand, models started with fundamental concepts and simplified with appropriate considerations may offer explanations for the phenomena which may not be obtained just with measurements or unprocessed experimental data. The discussion presented here is strengthened with case studies and references to the literature.

Laminar Diffusion Flame Studies (Ground- and Space-Based Studies)

NASA Technical Reports Server (NTRS)

Dai, Z.; El-Leathy, A. M.; Lin, K.-C.; Sunderland, P. B.; Xu, F.; Faeth, G. M.; Urban, D. L. (Technical Monitor); Yuan, Z.-G. (Technical Monitor)

2000-01-01

Laminar diffusion flames are of interest because they provide model flame systems that are far more tractable for analysis and experiments than more practical turbulent diffusion flames. Certainly, understanding flame processes within laminar diffusion flames must precede understanding these processes in more complex turbulent diffusion flames. In addition, many properties of laminar diffusion flames are directly relevant to turbulent diffusion flames using laminar flamelet concepts. Laminar jet diffusion flame shapes (luminous flame boundaries) have been of particular interest since the classical study of Burke and Schumann because they are a simple nonintrusive measurement that is convenient for evaluating flame structure predictions. Thus, consideration of laminar flame shapes is undertaken in the following, emphasizing conditions where effects of gravity are small, due to the importance of such conditions to practical applications. Another class of interesting properties of laminar diffusion flames are their laminar soot and smoke point properties (i.e., the flame length, fuel flow rate, characteristic residence time, etc., at the onset of soot appearance in the flame (the soot point) and the onset of soot emissions from the flame (the smoke point)). These are useful observable soot properties of nonpremixed flames because they provide a convenient means to rate several aspects of flame sooting properties: the relative propensity of various fuels to produce soot in flames; the relative effects of fuel structure, fuel dilution, flame temperature and ambient pressure on the soot appearance and emission properties of flames; the relative levels of continuum radiation from soot in flames; and effects of the intrusion of gravity (or buoyant motion) on emissions of soot from flames. An important motivation to define conditions for soot emissions is that observations of laminar jet diffusion flames in critical environments, e.g., space shuttle and space station facilities, cannot involve soot emitting flames in order to ensure that test chamber windows used for experimental observations are not blocked by soot deposits, thereby compromising unusually valuable experimental results. Another important motivation to define conditions where soot is present in diffusion flames is that flame chemistry, transport and radiation properties are vastly simplified when soot is absent, making such flames far more tractable for detailed numerical simulations than corresponding soot-containing flames. Motivated by these observations, the objectives of this phase of the investigation were as follows: (1) Observe flame-sheet shapes (the location of the reaction zone near phi=1) of nonluminous (soot free) laminar jet diffusion flames in both still and coflowing air and use these results to develop simplified models of flame-sheet shapes for these conditions; (2) Observe luminous flame boundaries of luminous (soot-containing) laminar jet diffusion flames in both still and coflowing air and use these results to develop simplified models of luminous flame boundaries for these conditions. In order to fix ideas here, maximum luminous flame boundaries at the laminar smoke point conditions were sought, i.e., luminous flame boundaries at the laminar smoke point; (3) Observe effects of coflow on laminar soot- and smoke-point conditions because coflow has been proposed as a means to control soot emissions and minimize the presence of soot in diffusion flames.

A Diffusion Model for Two-sided Service Systems

NASA Astrophysics Data System (ADS)

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.

Retardation of mobile radionuclides in granitic rock fractures by matrix diffusion

NASA Astrophysics Data System (ADS)

Hölttä, P.; Poteri, A.; Siitari-Kauppi, M.; Huittinen, N.

Transport of iodide and sodium has been studied by means of block fracture and core column experiments to evaluate the simplified radionuclide transport concept. The objectives were to examine the processes causing retention in solute transport, especially matrix diffusion, and to estimate their importance during transport in different scales and flow conditions. Block experiments were performed using a Kuru Grey granite block having a horizontally planar natural fracture. Core columns were constructed from cores drilled orthogonal to the fracture of the granite block. Several tracer tests were performed using uranine, 131I and 22Na as tracers at water flow rates 0.7-50 μL min -1. Transport of tracers was modelled by applying the advection-dispersion model based on the generalized Taylor dispersion added with matrix diffusion. Scoping calculations were combined with experiments to test the model concepts. Two different experimental configurations could be modelled applying consistent transport processes and parameters. The processes, advection-dispersion and matrix diffusion, were conceptualized with sufficient accuracy to replicate the experimental results. The effects of matrix diffusion were demonstrated on the slightly sorbing sodium and mobile iodine breakthrough curves.

Comparison of fluid neutral models for one-dimensional plasma edge modeling with a finite volume solution of the Boltzmann equation

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

Horsten, N., E-mail: niels.horsten@kuleuven.be; Baelmans, M.; Dekeyser, W.

2016-01-15

We derive fluid neutral approximations for a simplified 1D edge plasma model, suitable to study the neutral behavior close to the target of a nuclear fusion divertor, and compare its solutions to the solution of the corresponding kinetic Boltzmann equation. The plasma is considered as a fixed background extracted from a detached 2D simulation. We show that the Maxwellian equilibrium distribution is already obtained very close to the target, justifying the use of a fluid approximation. We compare three fluid neutral models: (i) a diffusion model; (ii) a pressure-diffusion model (i.e., a combination of a continuity and momentum equation) assumingmore » equal neutral and ion temperatures; and (iii) the pressure-diffusion model coupled to a neutral energy equation taking into account temperature differences between neutrals and ions. Partial reflection of neutrals reaching the boundaries is included in both the kinetic and fluid models. We propose two methods to obtain an incident neutral flux boundary condition for the fluid models: one based on a diffusion approximation and the other assuming a truncated Chapman-Enskog distribution. The pressure-diffusion model predicts the plasma sources very well. The diffusion boundary condition gives slightly better results overall. Although including an energy equation still improves the results, the assumption of equal ion and neutral temperature already gives a very good approximation.« less

Model Comparison for Electron Thermal Transport

NASA Astrophysics Data System (ADS)

Moses, Gregory; Chenhall, Jeffrey; Cao, Duc; Delettrez, Jacques

2015-11-01

Four electron thermal transport models are compared for their ability to accurately and efficiently model non-local behavior in ICF simulations. Goncharov's transport model has accurately predicted shock timing in implosion simulations but is computationally slow and limited to 1D. The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. uses multigroup diffusion to speed up the calculation. Chenhall has expanded upon the iSNB diffusion model to a higher order simplified P3 approximation and a Monte Carlo transport model, to bridge the gap between the iSNB and Goncharov models while maintaining computational efficiency. Comparisons of the above models for several test problems will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

Pececillo

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

Carlson, Neil; Jibben, Zechariah; Brady, Peter

2017-06-28

Pececillo is a proxy-app for the open source Truchas metal processing code (LA-CC-15-097). It implements many of the physics models used in Truchas: free-surface, incompressible Navier-Stokes fluid dynamics (e.g., water waves); heat transport, material phase change, view factor thermal radiation; species advection-diffusion; quasi-static, elastic/plastic solid mechanics with contact; electomagnetics (Maxwell's equations). The models are simplified versions that retain the fundamental computational complexity of the Truchas models while omitting many non-essential features and modeling capabilities. The purpose is to expose Truchas algorithms in a greatly simplified context where computer science problems related to parallel performance on advanced architectures can be moremore » easily investigated. While Pececillo is capable of performing simulations representative of typical Truchas metal casting, welding, and additive manufacturing simulations, it lacks many of the modeling capabilites needed for real applications.« less

Temperature and solute-transport simulation in streamflow using a Lagrangian reference frame

USGS Publications Warehouse

Jobson, Harvey E.

1980-01-01

A computer program for simulating one-dimensional, unsteady temperature and solute transport in a river has been developed and documented for general use. The solution approach to the convective-diffusion equation uses a moving reference frame (Lagrangian) which greatly simplifies the mathematics of the solution procedure and dramatically reduces errors caused by numerical dispersion. The model documentation is presented as a series of four programs of increasing complexity. The conservative transport model can be used to route a single conservative substance. The simplified temperature model is used to predict water temperature in rivers when only temperature and windspeed data are available. The complete temperature model is highly accurate but requires rather complete meteorological data. Finally, the 10-parameter model can be used to route as many as 10 interacting constituents through a river reach. (USGS)

Avian Egg Latebra as Brain Tissue Water Diffusion Model

PubMed Central

Maier, Stephan E.; Mitsouras, Dimitris; Mulkern, Robert V.

2013-01-01

Purpose Simplified models of non-monoexponential diffusion signal decay are of great interest to study the basic constituents of complex diffusion behaviour in tissues. The latebra, a unique structure uniformly present in the yolk of avian eggs, exhibits a non-monoexponential diffusion signal decay. This model is more complex than simple phantoms based on differences between water and lipid diffusion, but is also devoid of microscopic structures with preferential orientation or perfusion effects. Methods Diffusion scans with multiple b-values were performed on a clinical 3 Tesla system in raw and boiled chicken eggs equilibrated to room temperature. Diffusion encoding was applied over the ranges 5–5,000 and 5–50,000 s/mm2. A low read-out bandwidth and chemical shift was used for reliable lipid/water separation. Signal decays were fitted with exponential functions. Results The latebra, when measured over the 5–5,000 s/mm2 range, exhibited independent of preparation clearly biexponential diffusion, with diffusion parameters similar to those typically observed in in-vivo human brain. For the range 5–50,000 s/mm2 there was evidence of a small third, very slow diffusing water component. Conclusion The latebra of the avian egg contains membrane structures, which may explain a deviation from a simple monoexponential diffusion signal decay, which is remarkably similar to the deviation observed in brain tissue. PMID:24105853

Computational methods for diffusion-influenced biochemical reactions.

PubMed

Dobrzynski, Maciej; Rodríguez, Jordi Vidal; Kaandorp, Jaap A; Blom, Joke G

2007-08-01

We compare stochastic computational methods accounting for space and discrete nature of reactants in biochemical systems. Implementations based on Brownian dynamics (BD) and the reaction-diffusion master equation are applied to a simplified gene expression model and to a signal transduction pathway in Escherichia coli. In the regime where the number of molecules is small and reactions are diffusion-limited predicted fluctuations in the product number vary between the methods, while the average is the same. Computational approaches at the level of the reaction-diffusion master equation compute the same fluctuations as the reference result obtained from the particle-based method if the size of the sub-volumes is comparable to the diameter of reactants. Using numerical simulations of reversible binding of a pair of molecules we argue that the disagreement in predicted fluctuations is due to different modeling of inter-arrival times between reaction events. Simulations for a more complex biological study show that the different approaches lead to different results due to modeling issues. Finally, we present the physical assumptions behind the mesoscopic models for the reaction-diffusion systems. Input files for the simulations and the source code of GMP can be found under the following address: http://www.cwi.nl/projects/sic/bioinformatics2007/

The Focusing of Light Scattered from Diffuse Reflectors Using Phase Modulation

DTIC Science & Technology

2012-03-22

was recently demonstrated for imaging otherwise hidden scene information through the collection and radiometric modeling of light reflecting off of...effectively reducing the radiometric model to that of the previously demonstrated dual photography, and leading to much-simplified results. This...angle. The fundamental geometric descriptor of reflectance is given by the bidirectional reflectance distribution function ( BRDF ) fr (θi, φi; θs, φs

Study on low intensity aeration oxygenation model and optimization for shallow water

NASA Astrophysics Data System (ADS)

Chen, Xiao; Ding, Zhibin; Ding, Jian; Wang, Yi

2018-02-01

Aeration/oxygenation is an effective measure to improve self-purification capacity in shallow water treatment while high energy consumption, high noise and expensive management refrain the development and the application of this process. Based on two-film theory, the theoretical model of the three-dimensional partial differential equation of aeration in shallow water is established. In order to simplify the equation, the basic assumptions of gas-liquid mass transfer in vertical direction and concentration diffusion in horizontal direction are proposed based on engineering practice and are tested by the simulation results of gas holdup which are obtained by simulating the gas-liquid two-phase flow in aeration tank under low-intensity condition. Based on the basic assumptions and the theory of shallow permeability, the model of three-dimensional partial differential equations is simplified and the calculation model of low-intensity aeration oxygenation is obtained. The model is verified through comparing the aeration experiment. Conclusions as follows: (1)The calculation model of gas-liquid mass transfer in vertical direction and concentration diffusion in horizontal direction can reflect the process of aeration well; (2) Under low-intensity conditions, the long-term aeration and oxygenation is theoretically feasible to enhance the self-purification capacity of water bodies; (3) In the case of the same total aeration intensity, the effect of multipoint distributed aeration on the diffusion of oxygen concentration in the horizontal direction is obvious; (4) In the shallow water treatment, reducing the volume of aeration equipment with the methods of miniaturization, array, low-intensity, mobilization to overcome the high energy consumption, large size, noise and other problems can provide a good reference.

Gas Diffusion in Fluids Containing Bubbles

NASA Technical Reports Server (NTRS)

Zak, M.; Weinberg, M. C.

1982-01-01

Mathematical model describes movement of gases in fluid containing many bubbles. Model makes it possible to predict growth and shrink age of bubbles as function of time. New model overcomes complexities involved in analysis of varying conditions by making two simplifying assumptions. It treats bubbles as point sources, and it employs approximate expression for gas concentration gradient at liquid/bubble interface. In particular, it is expected to help in developing processes for production of high-quality optical glasses in space.

Predictive model to describe water migration in cellular solid foods during storage.

PubMed

Voogt, Juliën A; Hirte, Anita; Meinders, Marcel B J

2011-11-01

Water migration in cellular solid foods during storage causes loss of crispness. To improve crispness retention, physical understanding of this process is needed. Mathematical models are suitable tools to gain this physical knowledge. Water migration in cellular solid foods involves migration through both the air cells and the solid matrix. For systems in which the water migration distance is large compared with the cell wall thickness of the solid matrix, the overall water flux through the system is dominated by the flux through the air. For these systems, water migration can be approximated well by a Fickian diffusion model. The effective diffusion coefficient can be expressed in terms of the material properties of the solid matrix (i.e. the density, sorption isotherm and diffusion coefficient of water in the solid matrix) and the morphological properties of the cellular structure (i.e. water vapour permeability and volume fraction of the solid matrix). The water vapour permeability is estimated from finite element method modelling using a simplified model for the cellular structure. It is shown that experimentally observed dynamical water profiles of bread rolls that differ in crust permeability are predicted well by the Fickian diffusion model. Copyright © 2011 Society of Chemical Industry.

Numerical solution of a non-linear conservation law applicable to the interior dynamics of partially molten planets

NASA Astrophysics Data System (ADS)

Bower, Dan J.; Sanan, Patrick; Wolf, Aaron S.

2018-01-01

The energy balance of a partially molten rocky planet can be expressed as a non-linear diffusion equation using mixing length theory to quantify heat transport by both convection and mixing of the melt and solid phases. Crucially, in this formulation the effective or eddy diffusivity depends on the entropy gradient, ∂S / ∂r , as well as entropy itself. First we present a simplified model with semi-analytical solutions that highlights the large dynamic range of ∂S / ∂r -around 12 orders of magnitude-for physically-relevant parameters. It also elucidates the thermal structure of a magma ocean during the earliest stage of crystal formation. This motivates the development of a simple yet stable numerical scheme able to capture the large dynamic range of ∂S / ∂r and hence provide a flexible and robust method for time-integrating the energy equation. Using insight gained from the simplified model, we consider a full model, which includes energy fluxes associated with convection, mixing, gravitational separation, and conduction that all depend on the thermophysical properties of the melt and solid phases. This model is discretised and evolved by applying the finite volume method (FVM), allowing for extended precision calculations and using ∂S / ∂r as the solution variable. The FVM is well-suited to this problem since it is naturally energy conserving, flexible, and intuitive to incorporate arbitrary non-linear fluxes that rely on lookup data. Special attention is given to the numerically challenging scenario in which crystals first form in the centre of a magma ocean. The computational framework we devise is immediately applicable to modelling high melt fraction phenomena in Earth and planetary science research. Furthermore, it provides a template for solving similar non-linear diffusion equations that arise in other science and engineering disciplines, particularly for non-linear functional forms of the diffusion coefficient.

Predicting Salt Permeability Coefficients in Highly Swollen, Highly Charged Ion Exchange Membranes.

PubMed

Kamcev, Jovan; Paul, Donald R; Manning, Gerald S; Freeman, Benny D

2017-02-01

This study presents a framework for predicting salt permeability coefficients in ion exchange membranes in contact with an aqueous salt solution. The model, based on the solution-diffusion mechanism, was tested using experimental salt permeability data for a series of commercial ion exchange membranes. Equilibrium salt partition coefficients were calculated using a thermodynamic framework (i.e., Donnan theory), incorporating Manning's counterion condensation theory to calculate ion activity coefficients in the membrane phase and the Pitzer model to calculate ion activity coefficients in the solution phase. The model predicted NaCl partition coefficients in a cation exchange membrane and two anion exchange membranes, as well as MgCl 2 partition coefficients in a cation exchange membrane, remarkably well at higher external salt concentrations (>0.1 M) and reasonably well at lower external salt concentrations (<0.1 M) with no adjustable parameters. Membrane ion diffusion coefficients were calculated using a combination of the Mackie and Meares model, which assumes ion diffusion in water-swollen polymers is affected by a tortuosity factor, and a model developed by Manning to account for electrostatic effects. Agreement between experimental and predicted salt diffusion coefficients was good with no adjustable parameters. Calculated salt partition and diffusion coefficients were combined within the framework of the solution-diffusion model to predict salt permeability coefficients. Agreement between model and experimental data was remarkably good. Additionally, a simplified version of the model was used to elucidate connections between membrane structure (e.g., fixed charge group concentration) and salt transport properties.

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

NASA Astrophysics Data System (ADS)

Wang, J. F.; Qin, G.; Ma, Q. M.; Song, T.; Yuan, S. B.

2017-08-01

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.

Sparse and Adaptive Diffusion Dictionary (SADD) for recovering intra-voxel white matter structure.

PubMed

Aranda, Ramon; Ramirez-Manzanares, Alonso; Rivera, Mariano

2015-12-01

On the analysis of the Diffusion-Weighted Magnetic Resonance Images, multi-compartment models overcome the limitations of the well-known Diffusion Tensor model for fitting in vivo brain axonal orientations at voxels with fiber crossings, branching, kissing or bifurcations. Some successful multi-compartment methods are based on diffusion dictionaries. The diffusion dictionary-based methods assume that the observed Magnetic Resonance signal at each voxel is a linear combination of the fixed dictionary elements (dictionary atoms). The atoms are fixed along different orientations and diffusivity profiles. In this work, we present a sparse and adaptive diffusion dictionary method based on the Diffusion Basis Functions Model to estimate in vivo brain axonal fiber populations. Our proposal overcomes the following limitations of the diffusion dictionary-based methods: the limited angular resolution and the fixed shapes for the atom set. We propose to iteratively re-estimate the orientations and the diffusivity profile of the atoms independently at each voxel by using a simplified and easier-to-solve mathematical approach. As a result, we improve the fitting of the Diffusion-Weighted Magnetic Resonance signal. The advantages with respect to the former Diffusion Basis Functions method are demonstrated on the synthetic data-set used on the 2012 HARDI Reconstruction Challenge and in vivo human data. We demonstrate that improvements obtained in the intra-voxel fiber structure estimations benefit brain research allowing to obtain better tractography estimations. Hence, these improvements result in an accurate computation of the brain connectivity patterns. Copyright © 2015 Elsevier B.V. All rights reserved.

Influence of Different Diffuser Angle on Sedan's Aerodynamic Characteristics

NASA Astrophysics Data System (ADS)

Hu, Xingjun; Zhang, Rui; Ye, Jian; Yan, Xu; Zhao, Zhiming

The aerodynamic characteristics have a great influence on the fuel economics and the steering stability of a high speed vehicle. The underbody rear diffuser is one of important aerodynamic add-on devices. The parameters of the diffuser, including the diffuser angle, the number and the shape of separators, the shape of the end plate and etc, will affect the underbody flow and the wake. Here, just the influence of the diffuser angle was investigated without separator and the end plate. The method of Computational Fluid Dynamics was adopted to study the aerodynamic characteristics of a simplified sedan with a different diffuser angle respectively. The diffuser angle was set to 0°, 3°, 6°, 9.8° and 12° respectively. The diffuser angle of the original model is 9.8°. The conclusions were drawn that when the diffuser angle increases, the underbody flow and especially the wake change greatly and the pressure change correspondingly; as a result, the total aerodynamic drag coefficients of car first decrease and then increases, while the total aerodynamic lift coefficients decrease.

Kinetic multi-layer model of aerosol surface and bulk chemistry (KM-SUB): the influence of interfacial transport and bulk diffusion on the oxidation of oleic acid by ozone

NASA Astrophysics Data System (ADS)

Shiraiwa, Manabu; Pfrang, Christian; Pöschl, Ulrich

2010-05-01

Aerosols are ubiquitous in the atmosphere and have strong effects on climate and public health. Gas-particle interactions can significantly change the physical and chemical properties of aerosols such as toxicity, reactivity, hygroscopicity and radiative properties. Chemical reactions and mass transport lead to continuous transformation and changes in the composition of atmospheric aerosols ("chemical aging"). Resistor model formulations are widely used to describe and investigate heterogeneous reactions and multiphase processes in laboratory, field and model studies of atmospheric chemistry. The traditional resistor models, however, are usually based on simplifying assumptions such as steady state conditions, homogeneous mixing, and limited numbers of non-interacting species and processes. In order to overcome these limitations, Pöschl, Rudich and Ammann have developed a kinetic model framework (PRA framework) with a double-layer surface concept and universally applicable rate equations and parameters for mass transport and chemical reactions at the gas-particle interface of aerosols and clouds [1]. Based on the PRA framework, we present a novel kinetic multi-layer model that explicitly resolves mass transport and chemical reaction at the surface and in the bulk of aerosol particles (KM-SUB) [2]. The model includes reversible adsorption, surface reactions and surface-bulk exchange as well as bulk diffusion and reaction. Unlike earlier models, KM-SUB does not require simplifying assumptions about steady-state conditions and radial mixing. The temporal evolution and concentration profiles of volatile and non-volatile species at the gas-particle interface and in the particle bulk can be modeled along with surface concentrations and gas uptake coefficients. In this study we explore and exemplify the effects of bulk diffusion on the rate of reactive gas uptake for a simple reference system, the ozonolysis of oleic acid particles, in comparison to experimental data and earlier model studies. We demonstrate how KM-SUB can be used to interpret and analyze experimental data from laboratory studies, and how the results can be extrapolated to atmospheric conditions. In particular, we show how interfacial transport and bulk transport, i.e., surface accommodation, bulk accommodation and bulk diffusion, influence the kinetics of the chemical reaction. Sensitivity studies suggest that in fine air particulate matter oleic acid and compounds with similar reactivity against ozone (C=C double bonds) can reach chemical life-times of multiple hours only if they are embedded in a (semi-)solid matrix with very low diffusion coefficients (~10-10 cm2 s-1). Depending on the complexity of the investigated system, unlimited numbers of volatile and non-volatile species and chemical reactions can be flexibly added and treated with KM-SUB. We propose and intend to pursue the application of KM-SUB as a basis for the development of a detailed master mechanism of aerosol chemistry as well as for the derivation of simplified but realistic parameterizations for large-scale atmospheric and climate models. References [1] Pöschl et al., Atmos. Chem. and Phys., 7, 5989-6023 (2007). [2] Shiraiwa et al., Atmos. Chem. Phys. Discuss., 10, 281-326 (2010).

Design and validation of diffusion MRI models of white matter

NASA Astrophysics Data System (ADS)

Jelescu, Ileana O.; Budde, Matthew D.

2017-11-01

Diffusion MRI is arguably the method of choice for characterizing white matter microstructure in vivo. Over the typical duration of diffusion encoding, the displacement of water molecules is conveniently on a length scale similar to that of the underlying cellular structures. Moreover, water molecules in white matter are largely compartmentalized which enables biologically-inspired compartmental diffusion models to characterize and quantify the true biological microstructure. A plethora of white matter models have been proposed. However, overparameterization and mathematical fitting complications encourage the introduction of simplifying assumptions that vary between different approaches. These choices impact the quantitative estimation of model parameters with potential detriments to their biological accuracy and promised specificity. First, we review biophysical white matter models in use and recapitulate their underlying assumptions and realms of applicability. Second, we present up-to-date efforts to validate parameters estimated from biophysical models. Simulations and dedicated phantoms are useful in assessing the performance of models when the ground truth is known. However, the biggest challenge remains the validation of the “biological accuracy” of estimated parameters. Complementary techniques such as microscopy of fixed tissue specimens have facilitated direct comparisons of estimates of white matter fiber orientation and densities. However, validation of compartmental diffusivities remains challenging, and complementary MRI-based techniques such as alternative diffusion encodings, compartment-specific contrast agents and metabolites have been used to validate diffusion models. Finally, white matter injury and disease pose additional challenges to modeling, which are also discussed. This review aims to provide an overview of the current state of models and their validation and to stimulate further research in the field to solve the remaining open questions and converge towards consensus.

Design and validation of diffusion MRI models of white matter

PubMed Central

Jelescu, Ileana O.; Budde, Matthew D.

2018-01-01

Diffusion MRI is arguably the method of choice for characterizing white matter microstructure in vivo. Over the typical duration of diffusion encoding, the displacement of water molecules is conveniently on a length scale similar to that of the underlying cellular structures. Moreover, water molecules in white matter are largely compartmentalized which enables biologically-inspired compartmental diffusion models to characterize and quantify the true biological microstructure. A plethora of white matter models have been proposed. However, overparameterization and mathematical fitting complications encourage the introduction of simplifying assumptions that vary between different approaches. These choices impact the quantitative estimation of model parameters with potential detriments to their biological accuracy and promised specificity. First, we review biophysical white matter models in use and recapitulate their underlying assumptions and realms of applicability. Second, we present up-to-date efforts to validate parameters estimated from biophysical models. Simulations and dedicated phantoms are useful in assessing the performance of models when the ground truth is known. However, the biggest challenge remains the validation of the “biological accuracy” of estimated parameters. Complementary techniques such as microscopy of fixed tissue specimens have facilitated direct comparisons of estimates of white matter fiber orientation and densities. However, validation of compartmental diffusivities remains challenging, and complementary MRI-based techniques such as alternative diffusion encodings, compartment-specific contrast agents and metabolites have been used to validate diffusion models. Finally, white matter injury and disease pose additional challenges to modeling, which are also discussed. This review aims to provide an overview of the current state of models and their validation and to stimulate further research in the field to solve the remaining open questions and converge towards consensus. PMID:29755979

One-dimensional model of interacting-step fluctuations on vicinal surfaces: Analytical formulas and kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Patrone, Paul N.; Einstein, T. L.; Margetis, Dionisios

2010-12-01

We study analytically and numerically a one-dimensional model of interacting line defects (steps) fluctuating on a vicinal crystal. Our goal is to formulate and validate analytical techniques for approximately solving systems of coupled nonlinear stochastic differential equations (SDEs) governing fluctuations in surface motion. In our analytical approach, the starting point is the Burton-Cabrera-Frank (BCF) model by which step motion is driven by diffusion of adsorbed atoms on terraces and atom attachment-detachment at steps. The step energy accounts for entropic and nearest-neighbor elastic-dipole interactions. By including Gaussian white noise to the equations of motion for terrace widths, we formulate large systems of SDEs under different choices of diffusion coefficients for the noise. We simplify this description via (i) perturbation theory and linearization of the step interactions and, alternatively, (ii) a mean-field (MF) approximation whereby widths of adjacent terraces are replaced by a self-consistent field but nonlinearities in step interactions are retained. We derive simplified formulas for the time-dependent terrace-width distribution (TWD) and its steady-state limit. Our MF analytical predictions for the TWD compare favorably with kinetic Monte Carlo simulations under the addition of a suitably conservative white noise in the BCF equations.

Colorectal liver metastases: contrast agent diffusion coefficient for quantification of contrast enhancement heterogeneity at MR imaging.

PubMed

Jia, Guang; O'Dell, Craig; Heverhagen, Johannes T; Yang, Xiangyu; Liang, Jiachao; Jacko, Richard V; Sammet, Steffen; Pellas, Theodore; Cole, Patricia; Knopp, Michael V

2008-09-01

To describe and determine the reproducibility of a simplified model to quantitatively measure heterogeneous intralesion contrast agent diffusion in colorectal liver metastases. This HIPAA-compliant retrospective study received institutional review board approval, and written informed consent was obtained from 14 patients (mean age, 61 years +/- 9 [standard deviation]; range, 41-78 years), including 10 men (mean age, 65 years +/- 8; range, 47-78 years) and four women (mean age, 54 years +/- 9; range, 41-59 years), with colorectal liver metastases. Magnetic resonance (MR) imaging was performed twice (first baseline MR image [B(1)] and second baseline MR image [B(2)]) in a single target lesion prior to therapy. Dynamic contrast material-enhanced MR imaging was performed by using a saturation-recovery fast gradient-echo sequence. A simplified contrast agent diffusion model was proposed, and a contrast agent diffusion coefficient (CDC) was calculated. The reproducibility of the CDC measurement was evaluated by using the Bland-Altman plot and a linear regression model. The mean CDC was 0.22 mm(2)/sec (range, 0.01-0.73 mm(2)/sec) on B(1) and 0.24 mm(2)/sec (range, 0.01-0.71 mm(2)/sec) on B(2), with an intraclass correlation coefficient of 0.91 (P < .0001). Bland-Altman plot showed good agreement, with a mean difference in measurement pairs of 0.017 mm(2)/sec +/- 0.096. The slope from the linear regression model was 0.89 (95% confidence interval: 0.63, 1.15) and the intercept was 0.01 (95% confidence interval: -0.08, 0.09). The CDC enables a quantitative description of contrast enhancement heterogeneity in lesions. Given the high reproducibility of the CDC metric, CDC appears promising for further qualification as an imaging biomarker of change measurement in response assessment. http://radiology.rsnajnls.org/cgi/content/full/248/3/901/DC1. RSNA, 2008

Treatment of boundary conditions in through-diffusion: A case study of (85)Sr(2+) diffusion in compacted illite.

PubMed

Glaus, M A; Aertsens, M; Maes, N; Van Laer, L; Van Loon, L R

2015-01-01

Valuable techniques to measure effective diffusion coefficients in porous media are an indispensable prerequisite for a proper understanding of the migration of chemical-toxic and radioactive micropollutants in the subsurface and geosphere. The present article discusses possible pitfalls and difficulties in the classical through-diffusion technique applied to situations where large diffusive fluxes of cations in compacted clay minerals or clay rocks occur. The results obtained from a benchmark study, in which the diffusion of (85)Sr(2+) tracer in compacted illite has been studied using different experimental techniques, are presented. It is shown that these techniques may yield valuable results provided that an appropriate model is used for numerical simulations. It is further shown that effective diffusion coefficients may be systematically underestimated when the concentration at the downstream boundary is not taken adequately into account in modelling, even for very low concentrations. A criterion is derived for quasi steady-state situations, by which it can be decided whether the simplifying assumption of a zero-concentration at the downstream boundary in through-diffusion is justified or not. The application of the criterion requires, however, knowledge of the effective diffusion coefficient of the clay sample. Such knowledge is often absent or only approximately available during the planning phase of a diffusion experiment. Copyright © 2015 Elsevier B.V. All rights reserved.

(Energetics of silicate melts from thermal diffusion studies)

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

Not Available

1989-01-01

Research during the past year has been concentrated in four major areas. We are continuing work initiated during the first two years on modelling thermal diffusion on multicomponent silicate liquids. We have derived appropriate relations for ternary and quaternary systems and reanalyzed experimental thermal diffusion data for the ternary system fayalite-leucite-silica. In our manuscript entitled Thermal Diffusion in Petrology'', to be published in Adv. in Phy. Geochem., we show that these model results independently recover the compositional extent and temperature of liquid immiscibility in this system. Such retrieval provides a rigorous test of our theoretical predictions and simplified treatment ofmore » complex silicate liquids reported in Geochimica Cosmochimica Acta in 1986. The usefulness of our Soret research in providing mixing energies of silicate liquids has been recently confirmed by Ghiorso (1987, Cont. Min. Pet.). This demonstration provides a strategy for incorporating Soret data into the calibration of phase equilibrium-based solution models such as the one developed by Ghiorso. During the past year we also have resumed our studies of thermal diffusion in borosilicate glasses which also exhibit liquid immiscibility. Our objectives in studying these systems are (1) to further test of our multicomponent thermal diffusion model and (2) to provide quantitative constraints on the mixing properties of these glass-forming systems which are important for evaluating their suitability for storage of high-level nuclear waste. 16 refs.« less

Silver release from nanocomposite Ag/alginate hydrogels in the presence of chloride ions: experimental results and mathematical modeling

NASA Astrophysics Data System (ADS)

Kostic, Danijela; Vidovic, Srđan; Obradovic, Bojana

2016-03-01

A stepwise experimental and mathematical modeling approach was used to assess silver release from nanocomposite Ag/alginate microbeads in wet and dried forms into water and into normal saline solution chosen as a simplified model for certain biological fluids (e.g., blood plasma, wound exudates, sweat, etc). Three phenomena were connected and mathematically described: diffusion of silver nanoparticles (AgNPs) within the alginate hydrogel, AgNP oxidation/dissolution and reaction with chloride ions, and diffusion of the resultant silver-chloride species. Mathematical modeling results agreed well with the experimental data with the AgNP diffusion coefficient estimated as 1.3 × 10-18 m2 s-1, while the first-order kinetic rate constant of AgNP oxidation/dissolution and diffusivity of silver-chloride species were shown to be inversely related. In specific, rapid rehydration and swelling of dry Ag/alginate microbeads induced fast AgNP oxidation/dissolution reaction with Cl- and AgCl precipitation within the microbeads with the lowest diffusivity of silver-chloride species compared to wet microbeads in normal saline. The proposed mathematical model provided an insight into the phenomena related to silver release from nanocomposite Ca-alginate hydrogels relevant for use of antimicrobial devices and established, at the same time, a basis for further in-depth studies of AgNP interactions in hydrogels in the presence of chloride ions.

Simplified realistic human head model for simulating Tumor Treating Fields (TTFields).

PubMed

Wenger, Cornelia; Bomzon, Ze'ev; Salvador, Ricardo; Basser, Peter J; Miranda, Pedro C

2016-08-01

Tumor Treating Fields (TTFields) are alternating electric fields in the intermediate frequency range (100-300 kHz) of low-intensity (1-3 V/cm). TTFields are an anti-mitotic treatment against solid tumors, which are approved for Glioblastoma Multiforme (GBM) patients. These electric fields are induced non-invasively by transducer arrays placed directly on the patient's scalp. Cell culture experiments showed that treatment efficacy is dependent on the induced field intensity. In clinical practice, a software called NovoTalTM uses head measurements to estimate the optimal array placement to maximize the electric field delivery to the tumor. Computational studies predict an increase in the tumor's electric field strength when adapting transducer arrays to its location. Ideally, a personalized head model could be created for each patient, to calculate the electric field distribution for the specific situation. Thus, the optimal transducer layout could be inferred from field calculation rather than distance measurements. Nonetheless, creating realistic head models of patients is time-consuming and often needs user interaction, because automated image segmentation is prone to failure. This study presents a first approach to creating simplified head models consisting of convex hulls of the tissue layers. The model is able to account for anisotropic conductivity in the cortical tissues by using a tensor representation estimated from Diffusion Tensor Imaging. The induced electric field distribution is compared in the simplified and realistic head models. The average field intensities in the brain and tumor are generally slightly higher in the realistic head model, with a maximal ratio of 114% for a simplified model with reasonable layer thicknesses. Thus, the present pipeline is a fast and efficient means towards personalized head models with less complexity involved in characterizing tissue interfaces, while enabling accurate predictions of electric field distribution.

Simplified mathematical model of losses in a centrifugal compressor stage

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

Seleznev, K.P.; Galerkin, Yu.B.; Popova, E.Yu.

1988-05-01

A mathematical model was developed for optimizing the parameters of the stage which does not require calculation of the flow around grids. The loss coefficients of the stage elements were considered as functions of the flow-through section, the angle of incidence, the compressibility criterion, and the Reynolds number. The relationships were used to calculate losses in all blade components, including blade diffusers, deflectors, and rotors. The model is implemented in a microcomputer and will compute the efficiency of one variant of the flow-through section of a stage in 60 minutes.

Fluorescence recovery after photo-bleaching as a method to determine local diffusion coefficient in the stratum corneum.

PubMed

Anissimov, Yuri G; Zhao, Xin; Roberts, Michael S; Zvyagin, Andrei V

2012-10-01

Fluorescence recovery after photo-bleaching experiments were performed in human stratum corneum in vitro. Fluorescence multiphoton tomography was used, which allowed the dimensions of the photobleached volume to be at the micron scale and located fully within the lipid phase of the stratum corneum. Analysis of the fluorescence recovery data with simplified mathematical models yielded the diffusion coefficient of small molecular weight organic fluorescent dye Rhodamine B in the stratum corneum lipid phase of about (3-6) × 10(-9)cm(2) s(-1). It was concluded that the presented method can be used for detailed analysis of localised diffusion coefficients in the stratum corneum phases for various fluorescent probes. Copyright © 2012 Elsevier B.V. All rights reserved.

Scale-Dependent Fracture-Matrix Interactions And Their Impact on Radionuclide Transport - Final Report

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

Detwiler, Russell

Matrix diffusion and adsorption within a rock matrix are widely regarded as important mechanisms for retarding the transport of radionuclides and other solutes in fractured rock (e.g., Neretnieks, 1980; Tang et al., 1981; Maloszewski and Zuber, 1985; Novakowski and Lapcevic, 1994; Jardine et al., 1999; Zhou and Xie, 2003; Reimus et al., 2003a,b). When remediation options are being evaluated for old sources of contamination, where a large fraction of contaminants reside within the rock matrix, slow diffusion out of the matrix greatly increases the difficulty and timeframe of remediation. Estimating the rates of solute exchange between fractures and the adjacentmore » rock matrix is a critical factor in quantifying immobilization and/or remobilization of DOE-relevant contaminants within the subsurface. In principle, the most rigorous approach to modeling solute transport with fracture-matrix interaction would be based on local-scale coupled advection-diffusion/dispersion equations for the rock matrix and in discrete fractures that comprise the fracture network (Discrete Fracture Network and Matrix approach, hereinafter referred to as DFNM approach), fully resolving aperture variability in fractures and matrix property heterogeneity. However, such approaches are computationally demanding, and thus, many predictive models rely upon simplified models. These models typically idealize fracture rock masses as a single fracture or system of parallel fractures interacting with slabs of porous matrix or as a mobile-immobile or multi-rate mass transfer system. These idealizations provide tractable approaches for interpreting tracer tests and predicting contaminant mobility, but rely upon a fitted effective matrix diffusivity or mass-transfer coefficients. However, because these fitted parameters are based upon simplified conceptual models, their effectiveness at predicting long-term transport processes remains uncertain. Evidence of scale dependence of effective matrix diffusion coefficients obtained from tracer tests highlights this point and suggests that the underlying mechanisms and relationship between rock and fracture properties are not fully understood in large complex fracture networks. In this project, we developed a high-resolution DFN model of solute transport in fracture networks to explore and quantify the mechanisms that control transport in complex fracture networks and how these may give rise to observed scale-dependent matrix diffusion coefficients. Results demonstrate that small scale heterogeneity in the flow field caused by local aperture variability within individual fractures can lead to long-tailed breakthrough curves indicative of matrix diffusion, even in the absence of interactions with the fracture matrix. Furthermore, the temporal and spatial scale dependence of these processes highlights the inability of short-term tracer tests to estimate transport parameters that will control long-term fate and transport of contaminants in fractured aquifers.« less

A finite elements method to solve the Bloch-Torrey equation applied to diffusion magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Nguyen, Dang Van; Li, Jing-Rebecca; Grebenkov, Denis; Le Bihan, Denis

2014-04-01

The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch-Torrey partial differential equation (PDE). In addition, steady-state Laplace PDEs can be formulated to produce the homogenized diffusion tensor that describes the diffusion characteristics of the medium in the long time limit. In spatial domains that model biological tissues at the cellular level, these two types of PDEs have to be completed with permeability conditions on the cellular interfaces. To solve these PDEs, we implemented a finite elements method that allows jumps in the solution at the cell interfaces by using double nodes. Using a transformation of the Bloch-Torrey PDE we reduced oscillations in the searched-for solution and simplified the implementation of the boundary conditions. The spatial discretization was then coupled to the adaptive explicit Runge-Kutta-Chebyshev time-stepping method. Our proposed method is second order accurate in space and second order accurate in time. We implemented this method on the FEniCS C++ platform and show time and spatial convergence results. Finally, this method is applied to study some relevant questions in diffusion MRI.

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

NASA Astrophysics Data System (ADS)

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.e. fitting), potential solutions are detailed. The in vivo applications of this new, non-invasive, specific approach in cancer are reviewed, ranging from the characterization of gliomas in rodent brains and observation of time-dependence in breast tissue lesions and prostate cancer, to the recent preclinical evaluation of new treatments efficacy. It is expected that clinical applications of TDD will strongly benefit the community in terms of non-invasive cancer screening.

A simplified boron diffusion for preparing the silicon single crystal p-n junction as an educational device

NASA Astrophysics Data System (ADS)

Shiota, Koki; Kai, Kazuho; Nagaoka, Shiro; Tsuji, Takuto; Wakahara, Akihiro; Rusop, Mohamad

2016-07-01

The educational method which is including designing, making, and evaluating actual semiconductor devices with learning the theory is one of the best way to obtain the fundamental understanding of the device physics and to cultivate the ability to make unique ideas using the knowledge in the semiconductor device. In this paper, the simplified Boron thermal diffusion process using Sol-Gel material under normal air environment was proposed based on simple hypothesis and the feasibility of the reproducibility and reliability were investigated to simplify the diffusion process for making the educational devices, such as p-n junction, bipolar and pMOS devices. As the result, this method was successfully achieved making p+ region on the surface of the n-type silicon substrates with good reproducibility. And good rectification property of the p-n junctions was obtained successfully. This result indicates that there is a possibility to apply on the process making pMOS or bipolar transistors. It suggests that there is a variety of the possibility of the applications in the educational field to foster an imagination of new devices.

The drift diffusion model as the choice rule in reinforcement learning.

PubMed

Pedersen, Mads Lund; Frank, Michael J; Biele, Guido

2017-08-01

Current reinforcement-learning models often assume simplified decision processes that do not fully reflect the dynamic complexities of choice processes. Conversely, sequential-sampling models of decision making account for both choice accuracy and response time, but assume that decisions are based on static decision values. To combine these two computational models of decision making and learning, we implemented reinforcement-learning models in which the drift diffusion model describes the choice process, thereby capturing both within- and across-trial dynamics. To exemplify the utility of this approach, we quantitatively fit data from a common reinforcement-learning paradigm using hierarchical Bayesian parameter estimation, and compared model variants to determine whether they could capture the effects of stimulant medication in adult patients with attention-deficit hyperactivity disorder (ADHD). The model with the best relative fit provided a good description of the learning process, choices, and response times. A parameter recovery experiment showed that the hierarchical Bayesian modeling approach enabled accurate estimation of the model parameters. The model approach described here, using simultaneous estimation of reinforcement-learning and drift diffusion model parameters, shows promise for revealing new insights into the cognitive and neural mechanisms of learning and decision making, as well as the alteration of such processes in clinical groups.

The drift diffusion model as the choice rule in reinforcement learning

PubMed Central

Frank, Michael J.

2017-01-01

Current reinforcement-learning models often assume simplified decision processes that do not fully reflect the dynamic complexities of choice processes. Conversely, sequential-sampling models of decision making account for both choice accuracy and response time, but assume that decisions are based on static decision values. To combine these two computational models of decision making and learning, we implemented reinforcement-learning models in which the drift diffusion model describes the choice process, thereby capturing both within- and across-trial dynamics. To exemplify the utility of this approach, we quantitatively fit data from a common reinforcement-learning paradigm using hierarchical Bayesian parameter estimation, and compared model variants to determine whether they could capture the effects of stimulant medication in adult patients with attention-deficit hyper-activity disorder (ADHD). The model with the best relative fit provided a good description of the learning process, choices, and response times. A parameter recovery experiment showed that the hierarchical Bayesian modeling approach enabled accurate estimation of the model parameters. The model approach described here, using simultaneous estimation of reinforcement-learning and drift diffusion model parameters, shows promise for revealing new insights into the cognitive and neural mechanisms of learning and decision making, as well as the alteration of such processes in clinical groups. PMID:27966103

Modeling Particle Acceleration and Transport at a 2-D CME-Driven Shock

NASA Astrophysics Data System (ADS)

Hu, Junxiang; Li, Gang; Ao, Xianzhi; Zank, Gary P.; Verkhoglyadova, Olga

2017-11-01

We extend our earlier Particle Acceleration and Transport in the Heliosphere (PATH) model to study particle acceleration and transport at a coronal mass ejection (CME)-driven shock. We model the propagation of a CME-driven shock in the ecliptic plane using the ZEUS-3D code from 20 solar radii to 2 AU. As in the previous PATH model, the initiation of the CME-driven shock is simplified and modeled as a disturbance at the inner boundary. Different from the earlier PATH model, the disturbance is now longitudinally dependent. Particles are accelerated at the 2-D shock via the diffusive shock acceleration mechanism. The acceleration depends on both the parallel and perpendicular diffusion coefficients κ|| and κ⊥ and is therefore shock-obliquity dependent. Following the procedure used in Li, Shalchi, et al. (k href="#jgra53857-bib-0045"/>), we obtain the particle injection energy, the maximum energy, and the accelerated particle spectra at the shock front. Once accelerated, particles diffuse and convect in the shock complex. The diffusion and convection of these particles are treated using a refined 2-D shell model in an approach similar to Zank et al. (k href="#jgra53857-bib-0089"/>). When particles escape from the shock, they propagate along and across the interplanetary magnetic field. The propagation is modeled using a focused transport equation with the addition of perpendicular diffusion. We solve the transport equation using a backward stochastic differential equation method where adiabatic cooling, focusing, pitch angle scattering, and cross-field diffusion effects are all included. Time intensity profiles and instantaneous particle spectra as well as particle pitch angle distributions are shown for two example CME shocks.

Forward and back diffusion through argillaceous formations

NASA Astrophysics Data System (ADS)

Yang, Minjune; Annable, Michael D.; Jawitz, James W.

2017-05-01

The exchange of solutes between aquifers and lower-permeability argillaceous formations is of considerable interest for solute and contaminant fate and transport. We present a synthesis of analytical solutions for solute diffusion between aquifers and single aquitard systems, validated in well-controlled experiments, and applied to several data sets from laboratory and field-scale problems with diffusion time and length scales ranging from 10-2 to 108 years and 10-2 to 102 m. One-dimensional diffusion models were applied using the method of images to consider the general cases of a finite aquitard bounded by two aquifers at the top and bottom, or a semiinfinite aquitard bounded by an aquifer. The simpler semiinfinite equations are appropriate for all domains with dimensionless relative diffusion length, ZD < 0.7. At dimensionless length scales above this threshold, application of semiinfinite equations to aquitards of finite thickness leads to increasing errors and solutions based on the method of images are required. Measured resident solute concentration profiles in aquitards and flux-averaged solute concentrations in surrounding aquifers were accurately modeled by appropriately accounting for generalized dynamic aquifer-aquitard boundary conditions, including concentration gradient reversals. Dimensionless diffusion length scales were used to illustrate the transferability of these relatively simple models to physical systems with dimensions that spanned 10 orders of magnitude. The results of this study offer guidance on the application of a simplified analytical approach to environmentally important layered problems with one or two diffusion interfaces.

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

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

Tompson, A.F.B.

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

Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing

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

Wang, J. F.; Ma, Q. M.; Song, T.

The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusionmore » coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.« less

CO2 diffusion in champagne wines: a molecular dynamics study.

PubMed

Perret, Alexandre; Bonhommeau, David A; Liger-Belair, Gérard; Cours, Thibaud; Alijah, Alexander

2014-02-20

Although diffusion is considered as the main physical process responsible for the nucleation and growth of carbon dioxide bubbles in sparkling beverages, the role of each type of molecule in the diffusion process remains unclear. In the present study, we have used the TIP5P and SPC/E water models to perform force field molecular dynamics simulations of CO2 molecules in water and in a water/ethanol mixture respecting Champagne wine proportions. CO2 diffusion coefficients were computed by applying the generalized Fick's law for the determination of multicomponent diffusion coefficients, a law that simplifies to the standard Fick's law in the case of champagnes. The CO2 diffusion coefficients obtained in pure water and water/ethanol mixtures composed of TIP5P water molecules were always found to exceed the coefficients obtained in mixtures composed of SPC/E water molecules, a trend that was attributed to a larger propensity of SPC/E water molecules to form hydrogen bonds. Despite the fact that the SPC/E model is more accurate than the TIP5P model to compute water self-diffusion and CO2 diffusion in pure water, the diffusion coefficients of CO2 molecules in the water/ethanol mixture are in much better agreement with the experimental values of 1.4 - 1.5 × 10(-9) m(2)/s obtained for Champagne wines when the TIP5P model is employed. This difference was deemed to rely on the larger propensity of SPC/E water molecules to maintain the hydrogen-bonded network between water molecules and form new hydrogen bonds with ethanol, although statistical issues cannot be completely excluded. The remarkable agreement between the theoretical CO2 diffusion coefficients obtained within the TIP5P water/ethanol mixture and the experimental data specific to Champagne wines makes us infer that the diffusion coefficient in these emblematic hydroalcoholic sparkling beverages is expected to remain roughly constant whathever their proportions in sugars, glycerol, or peptides.

A low diffusive Lagrange-remap scheme for the simulation of violent air-water free-surface flows

NASA Astrophysics Data System (ADS)

Bernard-Champmartin, Aude; De Vuyst, Florian

2014-10-01

In 2002, Després and Lagoutière [17] proposed a low-diffusive advection scheme for pure transport equation problems, which is particularly accurate for step-shaped solutions, and thus suited for interface tracking procedure by a color function. This has been extended by Kokh and Lagoutière [28] in the context of compressible multifluid flows using a five-equation model. In this paper, we explore a simplified variant approach for gas-liquid three-equation models. The Eulerian numerical scheme has two ingredients: a robust remapped Lagrange solver for the solution of the volume-averaged equations, and a low diffusive compressive scheme for the advection of the gas mass fraction. Numerical experiments show the performance of the computational approach on various flow reference problems: dam break, sloshing of a tank filled with water, water-water impact and finally a case of Rayleigh-Taylor instability. One of the advantages of the present interface capturing solver is its natural implementation on parallel processors or computers.

Photopolarimetry of scattering surfaces and their interpretation by computer model

NASA Technical Reports Server (NTRS)

Wolff, M.

1979-01-01

Wolff's computer model of a rough planetary surface was simplified and revised. Close adherence to the actual geometry of a pitted surface and the inclusion of a function for diffuse light resulted in a quantitative model comparable to observations by planetary satellites and asteroids. A function is also derived to describe diffuse light emitted from a particulate surface. The function is in terms of the indices of refraction of the surface material, particle size, and viewing angles. Computer-generated plots describe the observable and theoretical light components for the Moon, Mercury, Mars and a spectrum of asteroids. Other plots describe the effects of changing surface material properties. Mathematical results are generated to relate the parameters of the negative polarization branch to the properties of surface pitting. An explanation is offered for the polarization of the rings of Saturn, and the average diameter of ring objects is found to be 30 to 40 centimeters.

The study of the Boltzmann equation of solid-gas two-phase flow with three-dimensional BGK model

NASA Astrophysics Data System (ADS)

Liu, Chang-jiang; Pang, Song; Xu, Qiang; He, Ling; Yang, Shao-peng; Qing, Yun-jie

2018-06-01

The motion of many solid-gas two-phase flows can be described by the Boltzmann equation. In order to simplify the Boltzmann equation, the convective-diffusion term is reserved and the collision term is replaced by the three-dimensional Bharnagar-Gross-Krook (BGK) model. Then the simplified Boltzmann equation is solved by homotopy perturbation method (HPM), and its approximate analytical solution is obtained. Through the analyzing, it is proved that the analytical solution satisfies all the constraint conditions, and its formation is in accord with the formation of the solution that is obtained by traditional Chapman-Enskog method, and the solving process of HPM is much more simple and convenient. This preliminarily shows the effectiveness and rapidness of HPM to solve the Boltzmann equation. The results obtained herein provide some theoretical basis for the further study of dynamic model of solid-gas two-phase flows, such as the sturzstrom of high-speed distant landslide caused by microseism and the sand storm caused by strong breeze.

A 2D model of axial symmetry for proximal tubule of an average human nephron: indicative results of diffusion, convection and absorption processes

NASA Astrophysics Data System (ADS)

Insfrán, J. F.; Ubal, S.; Di Paolo, y. J.

2016-04-01

A simplified model of a proximal convoluted tubule of an average human nephron is presented. The model considers the 2D axisymmetric flow of the luminal solution exchanging matter with the tubule walls and the peritubular fluid by means of 0D models for the epithelial cells. The tubule radius is considered to vary along the conduit due to the trans-epithelial pressure difference. The fate of more than ten typical solutes is tracked down by the model. The Navier-Stokes and Reaction-Diffusion-Advection equations (considering the electro-neutrality principle) are solved in the lumen, giving a detailed picture of the velocity, pressure and concentration fields, along with trans-membrane fluxes and tubule deformation, via coupling with the 0D model for the tubule wall. The calculations are carried out numerically by means of the finite element method. The results obtained show good agreement with those published by other authors using models that ignore the diffusive transport and disregard a detailed calculation of velocity, pressure and concentrations. This work should be seen as a first approach towards the development of a more comprehensive model of the filtration process taking place in the kidneys, which ultimately helps in devising a device that can mimic/complement the renal function.

A model for oscillations and pattern formation in protoplasmic droplets of Physarum polycephalum

NASA Astrophysics Data System (ADS)

Radszuweit, M.; Engel, H.; Bär, M.

2010-12-01

A mechano-chemical model for the spatiotemporal dynamics of free calcium and the thickness in protoplasmic droplets of the true slime mold Physarum polycephalum is derived starting from a physiologically detailed description of intracellular calcium oscillations proposed by Smith and Saldana (Biopys. J. 61, 368 (1992)). First, we have modified the Smith-Saldana model for the temporal calcium dynamics in order to reproduce the experimentally observed phase relation between calcium and mechanical tension oscillations. Then, we formulate a model for spatiotemporal dynamics by adding spatial coupling in the form of calcium diffusion and advection due to calcium-dependent mechanical contraction. In another step, the resulting reaction-diffusion model with mechanical coupling is simplified to a reaction-diffusion model with global coupling that approximates the mechanical part. We perform a bifurcation analysis of the local dynamics and observe a Hopf bifurcation upon increase of a biochemical activity parameter. The corresponding reaction-diffusion model with global coupling shows regular and chaotic spatiotemporal behaviour for parameters with oscillatory dynamics. In addition, we show that the global coupling leads to a long-wavelength instability even for parameters where the local dynamics possesses a stable spatially homogeneous steady state. This instability causes standing waves with a wavelength of twice the system size in one dimension. Simulations of the model in two dimensions are found to exhibit defect-mediated turbulence as well as various types of spiral wave patterns in qualitative agreement with earlier experimental observation by Takagi and Ueda (Physica D, 237, 420 (2008)).

Collisional transport across the magnetic field in drift-fluid models

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

Madsen, J., E-mail: jmad@fysik.dtu.dk; Naulin, V.; Nielsen, A. H.

2016-03-15

Drift ordered fluid models are widely applied in studies of low-frequency turbulence in the edge and scrape-off layer regions of magnetically confined plasmas. Here, we show how collisional transport across the magnetic field is self-consistently incorporated into drift-fluid models without altering the drift-fluid energy integral. We demonstrate that the inclusion of collisional transport in drift-fluid models gives rise to diffusion of particle density, momentum, and pressures in drift-fluid turbulence models and, thereby, obviates the customary use of artificial diffusion in turbulence simulations. We further derive a computationally efficient, two-dimensional model, which can be time integrated for several turbulence de-correlation timesmore » using only limited computational resources. The model describes interchange turbulence in a two-dimensional plane perpendicular to the magnetic field located at the outboard midplane of a tokamak. The model domain has two regions modeling open and closed field lines. The model employs a computational expedient model for collisional transport. Numerical simulations show good agreement between the full and the simplified model for collisional transport.« less

Towards a bulk approach to local interactions of hydrometeors

NASA Astrophysics Data System (ADS)

Baumgartner, Manuel; Spichtinger, Peter

2018-02-01

The growth of small cloud droplets and ice crystals is dominated by the diffusion of water vapor. Usually, Maxwell's approach to growth for isolated particles is used in describing this process. However, recent investigations show that local interactions between particles can change diffusion properties of cloud particles. In this study we develop an approach for including these local interactions into a bulk model approach. For this purpose, a simplified framework of local interaction is proposed and governing equations are derived from this setup. The new model is tested against direct simulations and incorporated into a parcel model framework. Using the parcel model, possible implications of the new model approach for clouds are investigated. The results indicate that for specific scenarios the lifetime of cloud droplets in subsaturated air may be longer (e.g., for an initially water supersaturated air parcel within a downdraft). These effects might have an impact on mixed-phase clouds, for example in terms of riming efficiencies.

Velocity and displacement statistics in a stochastic model of nonlinear friction showing bounded particle speed

NASA Astrophysics Data System (ADS)

Menzel, Andreas M.

2015-11-01

Diffusion of colloidal particles in a complex environment such as polymer networks or biological cells is a topic of high complexity with significant biological and medical relevance. In such situations, the interaction between the surroundings and the particle motion has to be taken into account. We analyze a simplified diffusion model that includes some aspects of a complex environment in the framework of a nonlinear friction process: at low particle speeds, friction grows linearly with the particle velocity as for regular viscous friction; it grows more than linearly at higher particle speeds; finally, at a maximum of the possible particle speed, the friction diverges. In addition to bare diffusion, we study the influence of a constant drift force acting on the diffusing particle. While the corresponding stationary velocity distributions can be derived analytically, the displacement statistics generally must be determined numerically. However, as a benefit of our model, analytical progress can be made in one case of a special maximum particle speed. The effect of a drift force in this case is analytically determined by perturbation theory. It will be interesting in the future to compare our results to real experimental systems. One realization could be magnetic colloidal particles diffusing through a shear-thickening environment such as starch suspensions, possibly exposed to an external magnetic field gradient.

A (137)Cs erosion model with moving boundary.

PubMed

Yin, Chuan; Ji, Hongbing

2015-12-01

A novel quantitative model of the relationship between diffused concentration changes and erosion rates using assessment of soil losses was developed. It derived from the analysis of surface soil (137)Cs flux variation under persistent erosion effect and based on the principle of geochemistry kinetics moving boundary. The new moving boundary model improves the basic simplified transport model (Zhang et al., 2008), and mainly applies to uniform rainfall areas which show a long-time soil erosion. The simulation results for this kind of erosion show under a long-time soil erosion, the influence of (137)Cs concentration will decrease exponentially with increasing depth. Using the new model fit to the measured (137)Cs depth distribution data in Zunyi site, Guizhou Province, China which has typical uniform rainfall provided a good fit with R(2) = 0.92. To compare the soil erosion rates calculated by the simple transport model and the new model, we take the Kaixian reference profile as example. The soil losses estimated by the previous simplified transport model are greater than those estimated by the new moving boundary model, which is consistent with our expectations. Copyright © 2015 Elsevier Ltd. All rights reserved.

Diffuse attenuation coefficient for downwelling irradiance at 490 nm and its spectral characteristics in the Black Sea upper layer: modeling, in situ measurements and ocean color data

NASA Astrophysics Data System (ADS)

Suslin, V. V.; Slabakova, V. K.; Churilova, T. Ya.

2017-11-01

Vertical diffuse attenuation coefficient, Kd(490), is one of the key parameter required for water quality modeling, hydrodynamic and biological processes in the sea. We showed that standard level-2 product of Kd(490) was underestimated in comparison with Kd(490) values simulated by the regional model during the diatom bloom in the Black Sea. Using data of SeaWiFS, MERIS and MODIS color scanners, a regional relationship between the model value of Kd(490) and the ratio of remote sensing reflectances has been obtained. Based on the bulgarian argo-bio-buoy dataset, the relationship between the attenuation coefficient of photosynthetically active radiation and attenuation coefficient at a wavelength of 490 nm is obtained. The simplified model, below as the S-model, of the diffuse attenuation coefficient spectrum for downwelling irradiance in the Black Sea upper layer is described. As a consequence of the S-model, the link between the depth of the euphotic zone and Kd(490) has been obtained. It is shown that the Kd(490) values, retrieved from ocean color data with using the regional link and from argo-bio-buoy measurements at depths between 6-20 m, are close to each other.

A simplified boron diffusion for preparing the silicon single crystal p-n junction as an educational device

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

Shiota, Koki, E-mail: a14510@sr.kagawa-nct.ac.jp; Kai, Kazuho; Nagaoka, Shiro, E-mail: nagaoka@es.kagawa-nct.ac.jp

The educational method which is including designing, making, and evaluating actual semiconductor devices with learning the theory is one of the best way to obtain the fundamental understanding of the device physics and to cultivate the ability to make unique ideas using the knowledge in the semiconductor device. In this paper, the simplified Boron thermal diffusion process using Sol-Gel material under normal air environment was proposed based on simple hypothesis and the feasibility of the reproducibility and reliability were investigated to simplify the diffusion process for making the educational devices, such as p-n junction, bipolar and pMOS devices. As themore » result, this method was successfully achieved making p+ region on the surface of the n-type silicon substrates with good reproducibility. And good rectification property of the p-n junctions was obtained successfully. This result indicates that there is a possibility to apply on the process making pMOS or bipolar transistors. It suggests that there is a variety of the possibility of the applications in the educational field to foster an imagination of new devices.« less

A Hidden Markov Model for Single Particle Tracks Quantifies Dynamic Interactions between LFA-1 and the Actin Cytoskeleton

PubMed Central

Das, Raibatak; Cairo, Christopher W.; Coombs, Daniel

2009-01-01

The extraction of hidden information from complex trajectories is a continuing problem in single-particle and single-molecule experiments. Particle trajectories are the result of multiple phenomena, and new methods for revealing changes in molecular processes are needed. We have developed a practical technique that is capable of identifying multiple states of diffusion within experimental trajectories. We model single particle tracks for a membrane-associated protein interacting with a homogeneously distributed binding partner and show that, with certain simplifying assumptions, particle trajectories can be regarded as the outcome of a two-state hidden Markov model. Using simulated trajectories, we demonstrate that this model can be used to identify the key biophysical parameters for such a system, namely the diffusion coefficients of the underlying states, and the rates of transition between them. We use a stochastic optimization scheme to compute maximum likelihood estimates of these parameters. We have applied this analysis to single-particle trajectories of the integrin receptor lymphocyte function-associated antigen-1 (LFA-1) on live T cells. Our analysis reveals that the diffusion of LFA-1 is indeed approximately two-state, and is characterized by large changes in cytoskeletal interactions upon cellular activation. PMID:19893741

Trade-off Assessment of Simplified Routing Models for Short-Term Hydropower Reservoir Optimization

NASA Astrophysics Data System (ADS)

Issao Kuwajima, Julio; Schwanenberg, Dirk; Alvardo Montero, Rodolfo; Mainardi Fan, Fernando; Assis dos Reis, Alberto

2014-05-01

Short-term reservoir optimization, also referred to as model predictive control, integrates model-based forecasts and optimization algorithms to meet multiple management objectives such as water supply, navigation, hydroelectricity generation, environmental obligations and flood protection. It is a valuable decision support tool to handle water-stress conditions or flooding events, and supports decision makers to minimize their impact. If the reservoir management includes downstream control, for example for mitigation flood damages in inundation areas downstream of the operated dam, the flow routing between the dam and the downstream inundation area is of major importance. The unsteady open channel flow in river reaches can be described by the one-dimensional Saint-Venant equations. However, owing to the mathematical complexity of those equations, some simplifications may be required to speed up the computation within the optimization procedure. Another strategy to limit the model runtime is a schematization on a course computational grid. In particular the last measure can introduce significant numerical diffusion into the solution. This is a major drawback, in particular if the reservoir release has steep gradients which we often find in hydropower reservoirs. In this work, four different routing models are assessed concerning their implementation in the predictive control of the Três Marias Reservoir located at the Upper River São Francisco in Brazil: i) a fully dynamic model using the software package SOBEK; ii) a semi-distributed rainfall-runoff model with Muskingum-Cunge routing for the flow reaches of interest, the MGB-IPH (Modelo Hidrológico de Grandes Bacias - Instituto de Pesquisas Hidráulicas); iii) a reservoir routing approach; and iv) a diffusive wave model. The last two models are implemented in the RTC-Tool toolbox. The overall model accuracy between the simplified models in RTC-Tools (iii, iv) and the more sophisticated SOBEK model (i) are comparable, and a lower performance was assessed for the MGB model (ii). Whereas the SOBEK model is able to propagate sharp discharge gradient downstream, the diffusive wave model is damping these gradients significantly due to the course spatial schematization. In the reservoir routing model, which is also schematized on a course grid, we counteract this drawback by modeling parts of the river reach by advection. This results in an excellent ratio between model accuracy / robustness and computational effort making it the approach of choice from the predictive control perspective.

A finite elements method to solve the Bloch–Torrey equation applied to diffusion magnetic resonance imaging

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

Nguyen, Dang Van; NeuroSpin, Bat145, Point Courrier 156, CEA Saclay Center, 91191 Gif-sur-Yvette Cedex; Li, Jing-Rebecca, E-mail: jingrebecca.li@inria.fr

2014-04-15

The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch–Torrey partial differential equation (PDE). In addition, steady-state Laplace PDEs can be formulated to produce the homogenized diffusion tensor that describes the diffusion characteristics of the medium in the long time limit. In spatial domains that model biological tissues at the cellular level, these two types of PDEs have to be completed with permeability conditions on the cellular interfaces. To solve these PDEs, we implemented a finite elements method that allows jumps in the solution atmore » the cell interfaces by using double nodes. Using a transformation of the Bloch–Torrey PDE we reduced oscillations in the searched-for solution and simplified the implementation of the boundary conditions. The spatial discretization was then coupled to the adaptive explicit Runge–Kutta–Chebyshev time-stepping method. Our proposed method is second order accurate in space and second order accurate in time. We implemented this method on the FEniCS C++ platform and show time and spatial convergence results. Finally, this method is applied to study some relevant questions in diffusion MRI.« less

Bayesian inference of radiation belt loss timescales.

NASA Astrophysics Data System (ADS)

Camporeale, E.; Chandorkar, M.

2017-12-01

Electron fluxes in the Earth's radiation belts are routinely studied using the classical quasi-linear radial diffusion model. Although this simplified linear equation has proven to be an indispensable tool in understanding the dynamics of the radiation belt, it requires specification of quantities such as the diffusion coefficient and electron loss timescales that are never directly measured. Researchers have so far assumed a-priori parameterisations for radiation belt quantities and derived the best fit using satellite data. The state of the art in this domain lacks a coherent formulation of this problem in a probabilistic framework. We present some recent progress that we have made in performing Bayesian inference of radial diffusion parameters. We achieve this by making extensive use of the theory connecting Gaussian Processes and linear partial differential equations, and performing Markov Chain Monte Carlo sampling of radial diffusion parameters. These results are important for understanding the role and the propagation of uncertainties in radiation belt simulations and, eventually, for providing a probabilistic forecast of energetic electron fluxes in a Space Weather context.

A Simulation Tool for Dynamic Contrast Enhanced MRI

PubMed Central

Mauconduit, Franck; Christen, Thomas; Barbier, Emmanuel Luc

2013-01-01

The quantification of bolus-tracking MRI techniques remains challenging. The acquisition usually relies on one contrast and the analysis on a simplified model of the various phenomena that arise within a voxel, leading to inaccurate perfusion estimates. To evaluate how simplifications in the interstitial model impact perfusion estimates, we propose a numerical tool to simulate the MR signal provided by a dynamic contrast enhanced (DCE) MRI experiment. Our model encompasses the intrinsic and relaxations, the magnetic field perturbations induced by susceptibility interfaces (vessels and cells), the diffusion of the water protons, the blood flow, the permeability of the vessel wall to the the contrast agent (CA) and the constrained diffusion of the CA within the voxel. The blood compartment is modeled as a uniform compartment. The different blocks of the simulation are validated and compared to classical models. The impact of the CA diffusivity on the permeability and blood volume estimates is evaluated. Simulations demonstrate that the CA diffusivity slightly impacts the permeability estimates ( for classical blood flow and CA diffusion). The effect of long echo times is investigated. Simulations show that DCE-MRI performed with an echo time may already lead to significant underestimation of the blood volume (up to 30% lower for brain tumor permeability values). The potential and the versatility of the proposed implementation are evaluated by running the simulation with realistic vascular geometry obtained from two photons microscopy and with impermeable cells in the extravascular environment. In conclusion, the proposed simulation tool describes DCE-MRI experiments and may be used to evaluate and optimize acquisition and processing strategies. PMID:23516414

Using tobacco mosaic virus to probe enhanced surface diffusion of molecular glasses.

PubMed

Zhang, Yue; Potter, Richard; Zhang, William; Fakhraai, Zahra

2016-11-09

Recent studies have shown that diffusion on the surface of organic glasses can be many orders of magnitude faster than bulk diffusion. Developing new probes that can readily measure surface diffusion can help study the effect of parameters such as chemical structure, intermolecular interaction, molecules' shape and size on the enhanced surface diffusion. In this study, we develop a novel probe that significantly simplifies these types of studies. Tobacco mosaic virus (TMV) is used as probe particle to measure surface diffusion coefficient of molecular glass N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD). The evolution of the meniscus formed around TMV is probed as a function of time at various temperatures. TMV has a well-defined, mono-dispersed, cylindrical shape, with a large aspect-ratio (average diameter of 16.6 nm, length of 300 nm). As such, the shape of the meniscus around the center of TMV is semi-two dimensional, which compared to using a nanosphere as probe, increases the driving force for meniscus formation and simplifies the analysis of surface diffusion. We show that under these conditions, after a short transient time the shape of the meniscus is self-similar, allowing accurate determination of the surface diffusion coefficient. Measurements at various temperatures are then performed to investigate the temperature dependence of the surface diffusion coefficient. It is found that surface diffusion is greatly enhanced in TPD and has a lower activation barrier compared to the bulk counterpart. These observations are consistent with previous studies of surface diffusion on molecular glasses, demonstrating the accuracy of this method.

Analytical solutions for a soil vapor extraction model that incorporates gas phase dispersion and molecular diffusion

NASA Astrophysics Data System (ADS)

Huang, Junqi; Goltz, Mark N.

2017-06-01

To greatly simplify their solution, the equations describing radial advective/dispersive transport to an extraction well in a porous medium typically neglect molecular diffusion. While this simplification is appropriate to simulate transport in the saturated zone, it can result in significant errors when modeling gas phase transport in the vadose zone, as might be applied when simulating a soil vapor extraction (SVE) system to remediate vadose zone contamination. A new analytical solution for the equations describing radial gas phase transport of a sorbing contaminant to an extraction well is presented. The equations model advection, dispersion (including both mechanical dispersion and molecular diffusion), and rate-limited mass transfer of dissolved, separate phase, and sorbed contaminants into the gas phase. The model equations are analytically solved by using the Laplace transform with respect to time. The solutions are represented by confluent hypergeometric functions in the Laplace domain. The Laplace domain solutions are then evaluated using a numerical Laplace inversion algorithm. The solutions can be used to simulate the spatial distribution and the temporal evolution of contaminant concentrations during operation of a soil vapor extraction well. Results of model simulations show that the effect of gas phase molecular diffusion upon concentrations at the extraction well is relatively small, although the effect upon the distribution of concentrations in space is significant. This study provides a tool that can be useful in designing SVE remediation strategies, as well as verifying numerical models used to simulate SVE system performance.

Spontaneous Transition of Turbulent Flames to Detonations in Unconfined Media

DTIC Science & Technology

2011-06-07

1] M. Berthelot and P. Vieille, Compt. Rend. Acad. Sci. 93, 18 (1881). [2] E. Mallard and H.L. le Chatelier , Compt. Rend. Acad. Sci. 93, 145 (1881...or with pre-existing shocks. It remains unclear, however, whether DDT can occur in unconfined media. Here we show, through first- principles direct...converting fuel into product. A simplified reaction-diffusion model rep- resents stoichiometric H2-air and CH4-air mixtures under Le = 1 conditions

Diffusion of hyperpolarized 129Xe in the lung: a simplified model of 129Xe septal uptake and experimental results

NASA Astrophysics Data System (ADS)

Patz, Samuel; Muradyan, Iga; Hrovat, Mirko I.; Dabaghyan, Mikayel; Washko, George R.; Hatabu, Hiroto; Butler, James P.

2011-01-01

We used hyperpolarized 129Xe NMR to measure pulmonary alveolar surface area per unit gas volume SA/Vgas, alveolar septal thickness h and capillary transit time τ, three critical determinants of the lung's primary role as a gas exchange organ. An analytical solution for a simplified diffusion model is described, together with a modification of the xenon transfer contrast imaging technique utilizing 90° radio-frequency pulses applied to the dissolved phase, rather than traditional 180° pulses. With this approach, three-dimensional (3D) maps of SA/Vgas were obtained. We measured global SA/Vgas, h and τ in four normal subjects, two subjects with mild interstitial lung disease (ILD) and two subjects with mild chronic obstructive pulmonary disease (COPD). In normals, SA/Vgas decreased with increasing lung volume from ~320 to 80 cm-1 both h~13 μm and τ~1.5 s were relatively constant. For the two ILD subjects, h was, respectively, 36 and 97% larger than normal, quantifying an increased gas/blood tissue barrier; SA/Vgas and τ were normal. The two COPD subjects had SA/Vgas values ~25% that of normals, quantifying septal surface loss in emphysema; h and τ were normal. These are the first noninvasive, non-radiation-based, quantitative measurements of h and τ in patients with pulmonary disease.

Accuracy of RGD approximation for computing light scattering properties of diffusing and motile bacteria. [Rayleigh-Gans-Debye

NASA Technical Reports Server (NTRS)

Kottarchyk, M.; Chen, S.-H.; Asano, S.

1979-01-01

The study tests the accuracy of the Rayleigh-Gans-Debye (RGD) approximation against a rigorous scattering theory calculation for a simplified model of E. coli (about 1 micron in size) - a solid spheroid. A general procedure is formulated whereby the scattered field amplitude correlation function, for both polarized and depolarized contributions, can be computed for a collection of particles. An explicit formula is presented for the scattered intensity, both polarized and depolarized, for a collection of randomly diffusing or moving particles. Two specific cases for the intermediate scattering functions are considered: diffusing particles and freely moving particles with a Maxwellian speed distribution. The formalism is applied to microorganisms suspended in a liquid medium. Sensitivity studies revealed that for values of the relative index of refraction greater than 1.03, RGD could be in serious error in computing the intensity as well as correlation functions.

Wave Augmented Diffusers for Centrifugal Compressors

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Skoch, Gary J.

1998-01-01

A conceptual device is introduced which would utilize unsteady wave motion to slow and turn flows in the diffuser section of a centrifugal compressor. The envisioned device would substantially reduce the size of conventional centrifugal diffusers by eliminating the relatively large ninety degree bend needed to turn the flow from the radial/tangential to the axial direction. The bend would be replaced by a wall and the flow would instead exit through a series of rotating ports located on a disk, adjacent to the diffuser hub, and fixed to the impeller shaft. The ports would generate both expansion and compression waves which would rapidly transition from the hub/shroud (axial) direction to the radial/tangential direction. The waves would in turn induce radial/tangential and axial flow. This paper presents a detailed description of the device. Simplified cycle analysis and performance results are presented which were obtained using a time accurate, quasi-one-dimensional CFD code with models for turning, port flow conditions, and losses due to wall shear stress. The results indicate that a periodic wave system can be established which yields diffuser performance comparable to a conventional diffuser. Discussion concerning feasibility, accuracy, and integration follow.

Stability of planar traveling waves in a Keller-Segel equation on an infinite strip domain

NASA Astrophysics Data System (ADS)

Chae, Myeongju; Choi, Kyudong; Kang, Kyungkeun; Lee, Jihoon

2018-07-01

We consider a simplified model of tumor angiogenesis, described by a Keller-Segel equation on the two dimensional domain (x , y) ∈ R ×Sλ where Sλ is the circle of perimeter λ. It is known that the system allows planar traveling wave solutions of an invading type. In case that λ is sufficiently small, we establish the nonlinear stability of traveling wave solutions in the absence of chemical diffusion if the initial perturbation is sufficiently small in some weighted Sobolev space. When chemical diffusion is present, it can be shown that the system is linearly stable. Lastly, we prove that any solution with our front condition eventually becomes planar under certain regularity conditions.

An experimental and theoretical study of radiative extinction of diffusion flames

NASA Technical Reports Server (NTRS)

Wichman, Indrek S.; Atreya, A.

1994-01-01

Our work was primarily theoretical and numerical. We investigated the simplified modeling of heat losses in diffusion flames, then we 'ramped up' the level of complexity in each successive study until the final chapter discussed the general problem of soot/flame interaction. With regard to the specific objective of studying radiative extinction, we conclude that in the steady case a self-extinguishing zero-g flame is unlikely to occur. The soot volume fractions are too small. On the other hand, our work does provide rational means for assessing the mixture of chemical energy release and radiative heat release. It also provides clues for suitable 'tailoring' this balance. Thus heat fluxes to surrounding surfaces can be substantially increased by exploiting and modifying its sooting capability.

Influence of surface wettability on transport mechanisms governing water droplet evaporation.

PubMed

Pan, Zhenhai; Weibel, Justin A; Garimella, Suresh V

2014-08-19

Prediction and manipulation of the evaporation of small droplets is a fundamental problem with importance in a variety of microfluidic, microfabrication, and biomedical applications. A vapor-diffusion-based model has been widely employed to predict the interfacial evaporation rate; however, its scope of applicability is limited due to incorporation of a number of simplifying assumptions of the physical behavior. Two key transport mechanisms besides vapor diffusion-evaporative cooling and natural convection in the surrounding gas-are investigated here as a function of the substrate wettability using an augmented droplet evaporation model. Three regimes are distinguished by the instantaneous contact angle (CA). In Regime I (CA ≲ 60°), the flat droplet shape results in a small thermal resistance between the liquid-vapor interface and substrate, which mitigates the effect of evaporative cooling; upward gas-phase natural convection enhances evaporation. In Regime II (60 ≲ CA ≲ 90°), evaporative cooling at the interface suppresses evaporation with increasing contact angle and counterbalances the gas-phase convection enhancement. Because effects of the evaporative cooling and gas-phase convection mechanisms largely neutralize each other, the vapor-diffusion-based model can predict the overall evaporation rates in this regime. In Regime III (CA ≳ 90°), evaporative cooling suppresses the evaporation rate significantly and reverses entirely the direction of natural convection induced by vapor concentration gradients in the gas phase. Delineation of these counteracting mechanisms reconciles previous debate (founded on single-surface experiments or models that consider only a subset of the governing transport mechanisms) regarding the applicability of the classic vapor-diffusion model. The vapor diffusion-based model cannot predict the local evaporation flux along the interface for high contact angle (CA ≥ 90°) when evaporative cooling is strong and the temperature gradient along the interface determines the peak local evaporation flux.

Water sorption equilibria and kinetics of henna leaves

NASA Astrophysics Data System (ADS)

Sghaier, Khamsa; Peczalski, Roman; Bagane, Mohamed

2018-05-01

In this work, firstly the sorption isotherms of henna leaves were determined using a dynamic vapor sorption ( DVS) device at 3 temperatures (30, 40, 50 °C). The equilibrium data were well fitted by the GAB model. Secondly, drying kinetics were measured using a pilot convective dryer for 3 air temperatures (same as above), 3 velocities (0.5, 1, 1.42 m/s) and 4 relative humidities (20, 30, 35, 40%). The drying kinetic coefficients were identified by fitting the DVS and pilot dryer data by Lewis semi-empirical model. In order to compare the obtained kinetic parameters with literature, the water diffusivities were also identified by fitting the data by the simplified solution of fickian diffusion equation. The identified kinetic coefficient was mainly dependent on air temperature and velocity what proved that it represented rather the external transfer and not the internal one.

Light propagation from fluorescent probes in biological tissues by coupled time-dependent parabolic simplified spherical harmonics equations

PubMed Central

Domínguez, Jorge Bouza; Bérubé-Lauzière, Yves

2011-01-01

We introduce a system of coupled time-dependent parabolic simplified spherical harmonic equations to model the propagation of both excitation and fluorescence light in biological tissues. We resort to a finite element approach to obtain the time-dependent profile of the excitation and the fluorescence light fields in the medium. We present results for cases involving two geometries in three-dimensions: a homogeneous cylinder with an embedded fluorescent inclusion and a realistically-shaped rodent with an embedded inclusion alike an organ filled with a fluorescent probe. For the cylindrical geometry, we show the differences in the time-dependent fluorescence response for a point-like, a spherical, and a spherically Gaussian distributed fluorescent inclusion. From our results, we conclude that the model is able to describe the time-dependent excitation and fluorescent light transfer in small geometries with high absorption coefficients and in nondiffusive domains, as may be found in small animal diffuse optical tomography (DOT) and fluorescence DOT imaging. PMID:21483606

The three-zone composite productivity model for a multi-fractured horizontal shale gas well

NASA Astrophysics Data System (ADS)

Qi, Qian; Zhu, Weiyao

2018-02-01

Due to the nano-micro pore structures and the massive multi-stage multi-cluster hydraulic fracturing in shale gas reservoirs, the multi-scale seepage flows are much more complicated than in most other conventional reservoirs, and are crucial for the economic development of shale gas. In this study, a new multi-scale non-linear flow model was established and simplified, based on different diffusion and slip correction coefficients. Due to the fact that different flow laws existed between the fracture network and matrix zone, a three-zone composite model was proposed. Then, according to the conformal transformation combined with the law of equivalent percolation resistance, the productivity equation of a horizontal fractured well, with consideration given to diffusion, slip, desorption, and absorption, was built. Also, an analytic solution was derived, and the interference of the multi-cluster fractures was analyzed. The results indicated that the diffusion of the shale gas was mainly in the transition and Fick diffusion regions. The matrix permeability was found to be influenced by slippage and diffusion, which was determined by the pore pressure and diameter according to the Knudsen number. It was determined that, with the increased half-lengths of the fracture clusters, flow conductivity of the fractures, and permeability of the fracture network, the productivity of the fractured well also increased. Meanwhile, with the increased number of fractures, the distance between the fractures decreased, and the productivity slowly increased due to the mutual interfere of the fractures.

Analysis and correction of gradient nonlinearity bias in apparent diffusion coefficient measurements.

PubMed

Malyarenko, Dariya I; Ross, Brian D; Chenevert, Thomas L

2014-03-01

Gradient nonlinearity of MRI systems leads to spatially dependent b-values and consequently high non-uniformity errors (10-20%) in apparent diffusion coefficient (ADC) measurements over clinically relevant field-of-views. This work seeks practical correction procedure that effectively reduces observed ADC bias for media of arbitrary anisotropy in the fewest measurements. All-inclusive bias analysis considers spatial and time-domain cross-terms for diffusion and imaging gradients. The proposed correction is based on rotation of the gradient nonlinearity tensor into the diffusion gradient frame where spatial bias of b-matrix can be approximated by its Euclidean norm. Correction efficiency of the proposed procedure is numerically evaluated for a range of model diffusion tensor anisotropies and orientations. Spatial dependence of nonlinearity correction terms accounts for the bulk (75-95%) of ADC bias for FA = 0.3-0.9. Residual ADC non-uniformity errors are amplified for anisotropic diffusion. This approximation obviates need for full diffusion tensor measurement and diagonalization to derive a corrected ADC. Practical scenarios are outlined for implementation of the correction on clinical MRI systems. The proposed simplified correction algorithm appears sufficient to control ADC non-uniformity errors in clinical studies using three orthogonal diffusion measurements. The most efficient reduction of ADC bias for anisotropic medium is achieved with non-lab-based diffusion gradients. Copyright © 2013 Wiley Periodicals, Inc.

Monte Carlo PDF method for turbulent reacting flow in a jet-stirred reactor

NASA Astrophysics Data System (ADS)

Roekaerts, D.

1992-01-01

A stochastic algorithm for the solution of the modeled scalar probability density function (PDF) transport equation for single-phase turbulent reacting flow is described. Cylindrical symmetry is assumed. The PDF is represented by ensembles of N representative values of the thermochemical variables in each cell of a nonuniform finite-difference grid and operations on these elements representing convection, diffusion, mixing and reaction are derived. A simplified model and solution algorithm which neglects the influence of turbulent fluctuations on mean reaction rates is also described. Both algorithms are applied to a selectivity problem in a real reactor.

Initial Coupling of the RELAP-7 and PRONGHORN Applications

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

J. Ortensi; D. Andrs; A.A. Bingham

2012-10-01

Modern nuclear reactor safety codes require the ability to solve detailed coupled neutronic- thermal fluids problems. For larger cores, this implies fully coupled higher dimensionality spatial dynamics with appropriate feedback models that can provide enough resolution to accurately compute core heat generation and removal during steady and unsteady conditions. The reactor analysis code PRONGHORN is being coupled to RELAP-7 as a first step to extend RELAP’s current capabilities. This report details the mathematical models, the type of coupling, and the testing results from the integrated system. RELAP-7 is a MOOSE-based application that solves the continuity, momentum, and energy equations inmore » 1-D for a compressible fluid. The pipe and joint capabilities enable it to model parts of the power conversion unit. The PRONGHORN application, also developed on the MOOSE infrastructure, solves the coupled equations that define the neutron diffusion, fluid flow, and heat transfer in a full core model. The two systems are loosely coupled to simplify the transition towards a more complex infrastructure. The integration is tested on a simplified version of the OECD/NEA MHTGR-350 Coupled Neutronics-Thermal Fluids benchmark model.« less

Relaxation and diffusion of perfluorocarbon gas mixtures with oxygen for lung MRI

NASA Astrophysics Data System (ADS)

Chang, Yulin V.; Conradi, Mark S.

2006-08-01

We report measurements of free diffusivity D0 and relaxation times T1 and T2 for pure C 2F 6 and C 3F 8 and their mixtures with oxygen. A simplified relaxation theory is presented and used to fit the data. The results enable spatially localized relaxation time measurements to determine the local gas concentration in lung MR images, so the free diffusivity D0 is then known. Comparison of the measured diffusion to D0 will express the extent of diffusion restriction and allow the local surface-to-volume ratio to be found.

Suppression of Soot Formation and Shapes of Laminar Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

Xu, F.; Dai, Z.; Faeth, G. M.

2001-01-01

Laminar nonpremixed (diffusion) flames are of interest because they provide model flame systems that are far more tractable for analysis and experiments than practical turbulent flames. In addition, many properties of laminar diffusion flames are directly relevant to turbulent diffusion flames using laminar flamelet concepts. Finally, laminar diffusion flame shapes have been of interest since the classical study of Burke and Schumann because they involve a simple nonintrusive measurement that is convenient for evaluating flame shape predictions. Motivated by these observations, the shapes of round hydrocarbon-fueled laminar jet diffusion flames were considered, emphasizing conditions where effects of buoyancy are small because most practical flames are not buoyant. Earlier studies of shapes of hydrocarbon-fueled nonbuoyant laminar jet diffusion flames considered combustion in still air and have shown that flames at the laminar smoke point are roughly twice as long as corresponding soot-free (blue) flames and have developed simple ways to estimate their shapes. Corresponding studies of hydrocarbon-fueled weakly-buoyant laminar jet diffusion flames in coflowing air have also been reported. These studies were limited to soot-containing flames at laminar smoke point conditions and also developed simple ways to estimate their shapes but the behavior of corresponding soot-free flames has not been addressed. This is unfortunate because ways of selecting flame flow properties to reduce soot concentrations are of great interest; in addition, soot-free flames are fundamentally important because they are much more computationally tractable than corresponding soot-containing flames. Thus, the objectives of the present investigation were to observe the shapes of weakly-buoyant laminar jet diffusion flames at both soot-free and smoke point conditions and to use the results to evaluate simplified flame shape models. The present discussion is brief.

Tritium permeation model for plasma facing components

NASA Astrophysics Data System (ADS)

Longhurst, G. R.

1992-12-01

This report documents the development of a simplified one-dimensional tritium permeation and retention model. The model makes use of the same physical mechanisms as more sophisticated, time-transient codes such as implantation, recombination, diffusion, trapping and thermal gradient effects. It takes advantage of a number of simplifications and approximations to solve the steady-state problem and then provides interpolating functions to make estimates of intermediate states based on the steady-state solution. The model is developed for solution using commercial spread-sheet software such as Lotus 123. Comparison calculations are provided with the verified and validated TMAP4 transient code with good agreement. Results of calculations for the ITER CDA diverter are also included.

A theoretical study of concentration of profiles of primary cytochemical-enzyme reaction products in membrane-bound cell organelles and its application to lysosomal acid phosphatase.

PubMed

Cornelisse, C J; Hermens, W T; Joe, M T; Duijndam, W A; van Duijn, P

1976-11-01

A numerical method was developed for computing the steady-state concentration gradient of a diffusible enzyme reaction product in a membrane-limited compartment of a simplified theoretical cell model. In cytochemical enzyme reactions proceeding according to the metal-capture principle, the local concentration of the primary reaction product is an important factor in the onset of the precipitation process and in the distribution of the final reaction product. The following variables were incorporated into the model: enzyme activity, substrate concentration, Km, diffusion coefficient of substrate and product, particle radius and cell radius. The method was applied to lysosomal acid phosphatase. Numerical values for the variables were estimated from experimental data in the literature. The results show that the calculated phosphate concentrations inside lysosomes are several orders of magnitude lower than the critical concentrations for efficient phosphate capture found in a previous experimental model study. Reasons for this apparent discrepancy are discussed.

Upscaling the diffusion equations in particulate media made of highly conductive particles. II. Application to fibrous materials.

PubMed

Vassal, J-P; Orgéas, L; Favier, D; Auriault, J-L; Le Corre, S

2008-01-01

In paper I [Vassal, Phys. Rev. E77, 011302 (2008)] of this contribution, the effective diffusion properties of particulate media with highly conductive particles and particle-particle interfacial barriers have been investigated with the homogenization method with multiple scale asymptotic expansions. Three different macroscopic models have been proposed depending on the quality of contacts between particles. However, depending on the nature and the geometry of particles contained in representative elementary volumes of the considered media, localization problems to be solved to compute the effective conductivity of the two first models can rapidly become cumbersome, time and memory consuming. In this second paper, the above problem is simplified and applied to networks made of slender, wavy and entangled fibers. For these types of media, discrete formulations of localization problems for all macroscopic models can be obtained leading to very efficient numerical calculations. Semianalytical expressions of the effective conductivity tensors are also proposed under simplifying assumptions. The case of straight monodisperse and homogeneously distributed slender fibers with a circular cross section is further explored. Compact semianalytical and analytical estimations are obtained when fiber-fiber contacts are perfect or very poor. Moreover, two discrete element codes have been developed and used to solve localization problems on representative elementary volumes for the same types of contacts. Numerical results underline the significant roles of the fiber content, the orientation of fibers as well as the relative position and orientation of contacting fibers on the effective conductivity tensors. Semianalytical and analytical predictions are discussed and compared with numerical results.

Multi-Scale Computational Models for Electrical Brain Stimulation

PubMed Central

Seo, Hyeon; Jun, Sung C.

2017-01-01

Electrical brain stimulation (EBS) is an appealing method to treat neurological disorders. To achieve optimal stimulation effects and a better understanding of the underlying brain mechanisms, neuroscientists have proposed computational modeling studies for a decade. Recently, multi-scale models that combine a volume conductor head model and multi-compartmental models of cortical neurons have been developed to predict stimulation effects on the macroscopic and microscopic levels more precisely. As the need for better computational models continues to increase, we overview here recent multi-scale modeling studies; we focused on approaches that coupled a simplified or high-resolution volume conductor head model and multi-compartmental models of cortical neurons, and constructed realistic fiber models using diffusion tensor imaging (DTI). Further implications for achieving better precision in estimating cellular responses are discussed. PMID:29123476

Bounded fractional diffusion in geological media: Definition and Lagrangian approximation

NASA Astrophysics Data System (ADS)

Zhang, Yong; Green, Christopher T.; LaBolle, Eric M.; Neupauer, Roseanna M.; Sun, HongGuang

2016-11-01

Spatiotemporal fractional-derivative models (FDMs) have been increasingly used to simulate non-Fickian diffusion, but methods have not been available to define boundary conditions for FDMs in bounded domains. This study defines boundary conditions and then develops a Lagrangian solver to approximate bounded, one-dimensional fractional diffusion. Both the zero-value and nonzero-value Dirichlet, Neumann, and mixed Robin boundary conditions are defined, where the sign of Riemann-Liouville fractional derivative (capturing nonzero-value spatial-nonlocal boundary conditions with directional superdiffusion) remains consistent with the sign of the fractional-diffusive flux term in the FDMs. New Lagrangian schemes are then proposed to track solute particles moving in bounded domains, where the solutions are checked against analytical or Eulerian solutions available for simplified FDMs. Numerical experiments show that the particle-tracking algorithm for non-Fickian diffusion differs from Fickian diffusion in relocating the particle position around the reflective boundary, likely due to the nonlocal and nonsymmetric fractional diffusion. For a nonzero-value Neumann or Robin boundary, a source cell with a reflective face can be applied to define the release rate of random-walking particles at the specified flux boundary. Mathematical definitions of physically meaningful nonlocal boundaries combined with bounded Lagrangian solvers in this study may provide the only viable techniques at present to quantify the impact of boundaries on anomalous diffusion, expanding the applicability of FDMs from infinite domains to those with any size and boundary conditions.

Quantitative phenomenological model of the BOLD contrast mechanism

NASA Astrophysics Data System (ADS)

Dickson, John D.; Ash, Tom W. J.; Williams, Guy B.; Sukstanskii, Alexander L.; Ansorge, Richard E.; Yablonskiy, Dmitriy A.

2011-09-01

Different theoretical models of the BOLD contrast mechanism are used for many applications including BOLD quantification (qBOLD) and vessel size imaging, both in health and disease. Each model simplifies the system under consideration, making approximations about the structure of the blood vessel network and diffusion of water molecules through inhomogeneities in the magnetic field created by deoxyhemoglobin-containing blood vessels. In this study, Monte-Carlo methods are used to simulate the BOLD MR signal generated by diffusing water molecules in the presence of long, cylindrical blood vessels. Using these simulations we introduce a new, phenomenological model that is far more accurate over a range of blood oxygenation levels and blood vessel radii than existing models. This model could be used to extract physiological parameters of the blood vessel network from experimental data in BOLD-based experiments. We use our model to establish ranges of validity for the existing analytical models of Yablonskiy and Haacke, Kiselev and Posse, Sukstanskii and Yablonskiy (extended to the case of arbitrary time in the spin echo sequence) and Bauer et al. (extended to the case of randomly oriented cylinders). Although these models are shown to be accurate in the limits of diffusion under which they were derived, none of them is accurate for the whole physiological range of blood vessels radii and blood oxygenation levels. We also show the extent of systematic errors that are introduced due to the approximations of these models when used for BOLD signal quantification.

Solving the small-scale structure puzzles with dissipative dark matter

NASA Astrophysics Data System (ADS)

Foot, Robert; Vagnozzi, Sunny

2016-07-01

Small-scale structure is studied in the context of dissipative dark matter, arising for instance in models with a hidden unbroken Abelian sector, so that dark matter couples to a massless dark photon. The dark sector interacts with ordinary matter via gravity and photon-dark photon kinetic mixing. Mirror dark matter is a theoretically constrained special case where all parameters are fixed except for the kinetic mixing strength, epsilon. In these models, the dark matter halo around spiral and irregular galaxies takes the form of a dissipative plasma which evolves in response to various heating and cooling processes. It has been argued previously that such dynamics can account for the inferred cored density profiles of galaxies and other related structural features. Here we focus on the apparent deficit of nearby small galaxies (``missing satellite problem"), which these dissipative models have the potential to address through small-scale power suppression by acoustic and diffusion damping. Using a variant of the extended Press-Schechter formalism, we evaluate the halo mass function for the special case of mirror dark matter. Considering a simplified model where Mbaryons propto Mhalo, we relate the halo mass function to more directly observable quantities, and find that for epsilon ≈ 2 × 10-10 such a simplified description is compatible with the measured galaxy luminosity and velocity functions. On scales Mhalo lesssim 108 Msolar, diffusion damping exponentially suppresses the halo mass function, suggesting a nonprimordial origin for dwarf spheroidal satellite galaxies, which we speculate were formed via a top-down fragmentation process as the result of nonlinear dissipative collapse of larger density perturbations. This could explain the planar orientation of satellite galaxies around Andromeda and the Milky Way.

Energy and variance budgets of a diffusive staircase with implications for heat flux scaling

NASA Astrophysics Data System (ADS)

Hieronymus, M.; Carpenter, J. R.

2016-02-01

Diffusive convection, the mode of double-diffusive convection that occur when both temperature and salinity increase with increasing depth, is commonplace throughout the high latitude oceans and diffusive staircases constitute an important heat transport process in the Arctic Ocean. Heat and buoyancy fluxes through these staircases are often estimated using flux laws deduced either from laboratory experiments, or from simplified energy or variance budgets. We have done direct numerical simulations of double-diffusive convection at a range of Rayleigh numbers and quantified the energy and variance budgets in detail. This allows us to compare the fluxes in our simulations to those derived using known flux laws and to quantify how well the simplified energy and variance budgets approximate the full budgets. The fluxes are found to agree well with earlier estimates at high Rayleigh numbers, but we find large deviations at low Rayleigh numbers. The close ties between the heat and buoyancy fluxes and the budgets of thermal variance and energy have been utilized to derive heat flux scaling laws in the field of thermal convection. The result is the so called GL-theory, which has been found to give accurate heat flux scaling laws in a very wide parameter range. Diffusive convection has many similarities to thermal convection and an extension of the GL-theory to diffusive convection is also presented and its predictions are compared to the results from our numerical simulations.

A novel directly coupled gradostat

NASA Technical Reports Server (NTRS)

Wimpenny, J. W.; Earnshaw, R. G.; Gest, H.; Hayes, J. M.; Favinger, J. L.

1992-01-01

The original bidirectional compound chemostat (gradostat) described by Lovitt and Wimpenny has been simplified by making a more compact apparatus in which chemical gradients are established by diffusion between adjacent culture chambers. The experimental model (diffusion coupled (DC) gradostat) consisted of five chambers whose contents could be agitated by turbines rotating in the horizontal plane on a common shaft. Two biological experiments were designed to reveal the value of the DC gradostat. A methylotroph (Methylophilus methylotrophus) grown in a methanol gradient showed expected changes in cell viability as a function of position in the five vessel array. Cells of two species of photosynthetic bacteria (Rhodobacter capsulata and Rhodopseudomonas marina/agilis) with different salt sensitivities could be mixed and subsequently separated by the DC gradostat operating with a NaCl gradient of 0-3% w/v.

Numerical modeling of an alloy droplet deposition with non-equilibrium solidification

NASA Astrophysics Data System (ADS)

Ramanuj, Vimal

Droplet deposition is a process of extensive relevance to the microfabrication industry. Various bonding and film deposition methods utilize single or multiple droplet impingements on a substrate with subsequent splat formation through simultaneous spreading and solidification. Splat morphology and solidification characteristics play vital roles in determining the final outcome. Experimental methods have limited reach in studying such phenomena owing to the extremely small time and length scales involved. Fundamental understanding of the governing principles of fluid flow, heat transfer and phase change provide effective means of studying such processes through computational techniques. The present study aims at numerically modeling and analyzing the phenomenon of splat formation and phase change in an alloy droplet deposition process. Phase change in alloys occurs non-isothermally and its formulation poses mathematical challenges. A highly non-linear flow field in conjunction with multiple interfaces and convection-diffusion governed phase transition are some of the highlighting features involved in the numerical formulation. Moreover, the non-equilibrium solidification behavior in eutectic systems is of prime concern. The peculiar phenomenon requires special treatments in terms of modeling solid phase species diffusion, liquid phase enrichment during solute partitioning and isothermal eutectic transformation. The flow field is solved using a two-step projection algorithm coupled with enhanced interface modeling schemes. The free surface tracking and reconstruction is achieved through two approaches: VOF-PLIC and CLSVOF to achieve optimum interface accuracy with minimal computational resources. The energy equation is written in terms of enthalpy with an additional source term to account for the phase change. The solidification phenomenon is modeled using a coupled temperature-solute scheme that reflects the microscopic effects arising due to dendritic growth taking place in rapidly solidifying domains. Solid phase diffusion theories proposed in the literature are incorporated in the solute conservation equation through a back diffusion parameter till the eutectic composition; beyond which a special treatment is proposed. A simplified homogeneous mushy region model has also been outline. Both models are employed to reproduce analytical results under limiting conditions and also experimentally verified. The primary objective of the present work is to examine the splat morphology, solidification behavior and microstructural characteristics under varying operational parameters. A simplified homogeneous mushy region model is first applied to study the role of convection in an SS304 droplet deposition with substrate remelting. The results are compared with experimental findings reported in the literature and a good agreement is observed. Furthermore, a hypoeutectic Sn-Pb alloy droplet deposition is studied using a comprehensive coupled temperature solute model that accounts for the non-equilibrium solidification occurring in eutectic type of alloys. Particular focus is laid on the limitations of a homogeneous mushy region assumption, role of species composition in governing solidification, estimation of the microstructural properties and eutectic formation.

Bounded fractional diffusion in geological media: Definition and Lagrangian approximation

USGS Publications Warehouse

Zhang, Yong; Green, Christopher T.; LaBolle, Eric M.; Neupauer, Roseanna M.; Sun, HongGuang

2016-01-01

Spatiotemporal Fractional-Derivative Models (FDMs) have been increasingly used to simulate non-Fickian diffusion, but methods have not been available to define boundary conditions for FDMs in bounded domains. This study defines boundary conditions and then develops a Lagrangian solver to approximate bounded, one-dimensional fractional diffusion. Both the zero-value and non-zero-value Dirichlet, Neumann, and mixed Robin boundary conditions are defined, where the sign of Riemann-Liouville fractional derivative (capturing non-zero-value spatial-nonlocal boundary conditions with directional super-diffusion) remains consistent with the sign of the fractional-diffusive flux term in the FDMs. New Lagrangian schemes are then proposed to track solute particles moving in bounded domains, where the solutions are checked against analytical or Eularian solutions available for simplified FDMs. Numerical experiments show that the particle-tracking algorithm for non-Fickian diffusion differs from Fickian diffusion in relocating the particle position around the reflective boundary, likely due to the non-local and non-symmetric fractional diffusion. For a non-zero-value Neumann or Robin boundary, a source cell with a reflective face can be applied to define the release rate of random-walking particles at the specified flux boundary. Mathematical definitions of physically meaningful nonlocal boundaries combined with bounded Lagrangian solvers in this study may provide the only viable techniques at present to quantify the impact of boundaries on anomalous diffusion, expanding the applicability of FDMs from infinite do mains to those with any size and boundary conditions.

Temperature effects on multiphase reactions of organic molecular markers: A modeling study

NASA Astrophysics Data System (ADS)

Pratap, Vikram; Chen, Ying; Yao, Guangming; Nakao, Shunsuke

2018-04-01

Various molecular markers are used in source apportionment studies. In early studies, molecular markers were assumed to be inert. However, recent studies suggest that molecular markers can decay rapidly through multiphase reactions, which makes interpretation of marker measurements challenging. This study presents a simplified model to account for the effects of temperature and relative humidity on the lifetime of molecular markers through a shift in gas-particle partitioning as well as a change in viscosity of the condensed phase. As a model case, this study examines the stability of levoglucosan, a key marker species of biomass burning, over a wide temperature range relevant to summertime and wintertime. Despite the importance of wood combustion for space heating in winter, the lifetime of levoglucosan in wintertime is not well understood. The model predicts that in low-temperature conditions, levoglucosan predominantly remains in the particle phase, and therefore its loss due to gas-phase oxidation reactions is significantly reduced. Furthermore, the movement of the levoglucosan from the bulk of the particle to the particle surface is reduced due to low diffusivity in the semi-solid state. The simplified model developed in this study reasonably reproduces upper and lower bounds of the lifetime of levoglucosan investigated in previous studies. The model results show that the levoglucosan depletion after seven days reduces significantly from ∼98% at 25 °C to <1% at 0 °C under dry conditions. The depletion of levoglucosan increases at higher relative humidities. However, at temperatures below 0 °C, levoglucosan appears to be a useful marker (lifetime > 1 week) even at 60% relative humidity irrespective of the assumed fragility parameter D that controls estimated diffusivity. The model shows that lifetime of an organic molecular marker strongly depends on assumed D especially when a semi-volatile marker is in semi-solid organic aerosol.

Analysis and correction of gradient nonlinearity bias in ADC measurements

PubMed Central

Malyarenko, Dariya I.; Ross, Brian D.; Chenevert, Thomas L.

2013-01-01

Purpose Gradient nonlinearity of MRI systems leads to spatially-dependent b-values and consequently high non-uniformity errors (10–20%) in ADC measurements over clinically relevant field-of-views. This work seeks practical correction procedure that effectively reduces observed ADC bias for media of arbitrary anisotropy in the fewest measurements. Methods All-inclusive bias analysis considers spatial and time-domain cross-terms for diffusion and imaging gradients. The proposed correction is based on rotation of the gradient nonlinearity tensor into the diffusion gradient frame where spatial bias of b-matrix can be approximated by its Euclidean norm. Correction efficiency of the proposed procedure is numerically evaluated for a range of model diffusion tensor anisotropies and orientations. Results Spatial dependence of nonlinearity correction terms accounts for the bulk (75–95%) of ADC bias for FA = 0.3–0.9. Residual ADC non-uniformity errors are amplified for anisotropic diffusion. This approximation obviates need for full diffusion tensor measurement and diagonalization to derive a corrected ADC. Practical scenarios are outlined for implementation of the correction on clinical MRI systems. Conclusions The proposed simplified correction algorithm appears sufficient to control ADC non-uniformity errors in clinical studies using three orthogonal diffusion measurements. The most efficient reduction of ADC bias for anisotropic medium is achieved with non-lab-based diffusion gradients. PMID:23794533

Modeling photosynthetically active radiation in water of Tampa Bay, Florida, with emphasis on the geometry of incident irradiance

USGS Publications Warehouse

Miller, R.L.; McPherson, B.F.

1995-01-01

A model is developed that uses a simplified geometric description of incident direct solar beam and diffuse skylight. The model incorporates effects of solar elevation angle and cloudiness on the amount of in-air photosynthetically active radiation (PAR) that passes through the air-water interface and on K0 in waters of relatively low turbidity. The value of K0 was estimated to vary as much as 41% on a clear summer day due to changes in solar elevation angle. The model was used to make estimates of the depth to which sea-grasses might receive adequate light for survival for a range of values of K0. -from Authors

A stratospheric aerosol model with perturbations induced by the space shuttle particulate effluents

NASA Technical Reports Server (NTRS)

Rosen, J. M.; Hofmann, D. J.

1977-01-01

A one dimensional steady state stratospheric aerosol model is developed that considers the subsequent perturbations caused by including the expected space shuttle particulate effluents. Two approaches to the basic modeling effort were made: in one, enough simplifying assumptions were introduced so that a more or less exact solution to the descriptive equations could be obtained; in the other approach very few simplifications were made and a computer technique was used to solve the equations. The most complex form of the model contains the effects of sedimentation, diffusion, particle growth and coagulation. Results of the perturbation calculations show that there will probably be an immeasurably small increase in the stratospheric aerosol concentration for particles larger than about 0.15 micrometer radius.

A practical method of determining water current velocities and diffusion coefficients in coastal waters by remote sensing techniques

NASA Technical Reports Server (NTRS)

James, W. P.

1971-01-01

A simplified procedure is presented for determining water current velocities and diffusion coefficients. Dye drops which form dye patches in the receiving water are made from an aircraft. The changes in position and size of the patches are recorded from two flights over the area. The simplified data processing procedure requires only that the ground coordinates about the dye patches be determined at the time of each flight. With an automatic recording coordinatograph for measuring coordinates and a computer for processing the data, this technique provides a practical method of determining circulation patterns and mixing characteristics of large aquatic systems. This information is useful in assessing the environmental impact of waste water discharges and for industrial plant siting.

Invariant Deformation Element Model Interpretation to the Crystallography of Diffusional Body-Centered-Cube to Face-Centered-Cube Phase Transformations

NASA Astrophysics Data System (ADS)

Liu, Hongwei; Liu, Jiangwen; Su, Guangcai; Li, Weizhou; Zeng, Jianmin; Hu, Zhiliu

2012-10-01

The crystallography of body-centered-cube to face-centered cube (bcc-to-fcc) diffusion phase transformations in a duplex stainless steel and a Cu-Zn alloy, including long axis, orientation relationship (OR), habit plane (HP), and dislocation spacing, is successfully interpreted with one-step rotation from the Bain lattice relationship by applying a simplified invariant line (IL) analysis. It is proposed that the dislocation slipping direction in the matrix plays an important role in controlling the crystallography of precipitation.

AC impedance analysis of polypyrrole thin films

NASA Technical Reports Server (NTRS)

Penner, Reginald M.; Martin, Charles R.

1987-01-01

The AC impedance spectra of thin polypyrrole films were obtained at open circuit potentials from -0.4 to 0.4 V vs SCE. Two limiting cases are discussed for which simplified equivalent circuits are applicable. At very positive potentials, the predominantly nonfaradaic AC impedance of polypyrrole is very similar to that observed previously for finite porous metallic films. Modeling of the data with the appropriate equivalent circuit permits effective pore diameter and pore number densities of the oxidized film to be estimated. At potentials from -0.4 to -0.3 V, the polypyrrole film is essentially nonelectronically conductive and diffusion of polymer oxidized sites with their associated counterions can be assumed to be linear from the film/substrate electrode interface. The equivalent circuit for the polypyrrole film at these potentials is that previously described for metal oxide, lithium intercalation thin films. Using this model, counterion diffusion coefficients are determined for both semi-infinite and finite diffusion domains. In addition, the limiting low frequency resistance and capacitance of the polypyrrole thin fims was determined and compared to that obtained previously for thicker films of the polymer. The origin of the observed potential dependence of these low frequency circuit components is discussed.

Dynamical System Approach for Edge Detection Using Coupled FitzHugh-Nagumo Neurons.

PubMed

Li, Shaobai; Dasmahapatra, Srinandan; Maharatna, Koushik

2015-12-01

The prospect of emulating the impressive computational capabilities of biological systems has led to considerable interest in the design of analog circuits that are potentially implementable in very large scale integration CMOS technology and are guided by biologically motivated models. For example, simple image processing tasks, such as the detection of edges in binary and grayscale images, have been performed by networks of FitzHugh-Nagumo-type neurons using the reaction-diffusion models. However, in these studies, the one-to-one mapping of image pixels to component neurons makes the size of the network a critical factor in any such implementation. In this paper, we develop a simplified version of the employed reaction-diffusion model in three steps. In the first step, we perform a detailed study to locate this threshold using continuous Lyapunov exponents from dynamical system theory. Furthermore, we render the diffusion in the system to be anisotropic, with the degree of anisotropy being set by the gradients of grayscale values in each image. The final step involves a simplification of the model that is achieved by eliminating the terms that couple the membrane potentials of adjacent neurons. We apply our technique to detect edges in data sets of artificially generated and real images, and we demonstrate that the performance is as good if not better than that of the previous methods without increasing the size of the network.

Similarity theory of the buoyantly interactive planetary boundary layer with entrainment

NASA Technical Reports Server (NTRS)

Hoffert, M. I.; Sud, Y. C.

1976-01-01

A similarity model is developed for the vertical profiles of turbulent flow variables in an entraining turbulent boundary layer of arbitrary buoyant stability. In the general formulation the vertical profiles, internal rotation of the velocity vector, discontinuities or jumps at a capping inversion and bulk aerodynamic coefficients of the boundary layer are given by solutions to a system of ordinary differential equations in the similarity variable. To close the system, a formulation for buoyantly interactive eddy diffusivity in the boundary layer is introduced which recovers Monin-Obukhov similarity near the surface and incorporates a hypothesis accounting for the observed variation of mixing length throughout the boundary layer. The model is tested in simplified versions which depend only on roughness, surface buoyancy, and Coriolis effects by comparison with planetary-boundary-layer wind- and temperature-profile observations, measurements of flat-plate boundary layers in a thermally stratified wind tunnel and observations of profiles of terms in the turbulent kinetic-energy budget of convective planetary boundary layers. On balance, the simplified model reproduced the trend of these various observations and experiments reasonably well, suggesting that the full similarity formulation be pursued further.

Automated Array Assembly, Phase 2

NASA Technical Reports Server (NTRS)

Carbajal, B. G.

1979-01-01

The solar cell module process development activities in the areas of surface preparation are presented. The process step development was carried out on texture etching including the evolution of a conceptual process model for the texturing process; plasma etching; and diffusion studies that focused on doped polymer diffusion sources. Cell processing was carried out to test process steps and a simplified diode solar cell process was developed. Cell processing was also run to fabricate square cells to populate sample minimodules. Module fabrication featured the demonstration of a porcelainized steel glass structure that should exceed the 20 year life goal of the low cost silicon array program. High efficiency cell development was carried out in the development of the tandem junction cell and a modification of the TJC called the front surface field cell. Cell efficiencies in excess of 16 percent at AM1 have been attained with only modest fill factors. The transistor-like model was proposed that fits the cell performance and provides a guideline for future improvements in cell performance.

Analysis of the interaction of an electron beam with a solar cell. III - The effect of spacial variations of the number density of recombination centers on SEM measurements

NASA Technical Reports Server (NTRS)

Von Roos, O.

1979-01-01

By means of an exactly soluble model the short circuit current generated by a scanning electron microscope in a P-N junction has been determined in cases where the trap density is inhomogeneous. The diffusion length for minority carriers becomes then dependent on the spacial coordinates. It is shown that in this case the dependence of the Isc on characteristic parameters as cell thickness, distance of the beam excitation spot from ohmic contacts, etc., becomes very intricate. This fact precludes the determination of the local diffusion length in the usual manner. Although the model is somewhat simplified in order to make it amenable to exact solutions, it is nevertheless realistic enough to lead to the conclusion that SEM measurements of bulk transport parameters in inhomogeneous semiconductor material are impractical since they may lead to serious errors in the interpretation of the data by customary means.

Development of self-healing polymers via amine-epoxy chemistry: I. Properties of healing agent carriers and the modelling of a two-part self-healing system

NASA Astrophysics Data System (ADS)

Zhang, He; Yang, Jinglei

2014-06-01

Two types of healing agent carriers (microcapsules containing epoxy solution, referred to as EP-capsules, and etched hollow glass bubbles (HGBs) loaded with amine solution, referred to as AM-HGBs) used in self-healing epoxy systems were prepared and characterized in this study. The core percentages were measured at about 80 wt% and 33 wt% for EP-capsules and AM-HGBs, respectively. The loaded amine in AM-HGB, after incorporation into the epoxy matrix, showed high stability at ambient temperature, but diffused out gradually during heat treatment at 80 °C. The amount and the mass ratio of the two released healants at the crack plane were correlated with the size, concentration, and core percentage of the healing agent carriers. A simplified cubic array model for randomly distributed healing agent carriers was adopted to depict the longest diffusion distance of the released healants, which is inversely proportional to the cubic root of the carrier concentration.

Baffle aperture design study of hollow cathode equipped ion thrusters. M.S. Thesis Technical Report, 1 Dec. 1979 - 1 Oct. 1980

NASA Technical Reports Server (NTRS)

Brophy, J. R., Jr.; Wilbur, P. J.

1980-01-01

A simple theoretical model which can be used as an aid in the design of the baffle aperture region of a hollow cathode equipped ion thruster was developed. An analysis of the ion and electron currents in both the main and cathode discharge chambers is presented. From this analysis a model of current flow through the aperture, which is required as an input to the design model, was developed. This model was verified experimentally. The dominant force driving electrons through the aperture was the force due to the electrical potential gradient. The diffusion process was modeled according to the Bolm diffusion theory. A number of simplifications were made to limit the amount of detailed plasma information required as input to the model to facilitate the use of the model in thruster design. This simplified model gave remarkably consistant results with experimental results obtained with a given thruster geometry over substantial changes in operating conditions. The model was uncertain to about a factor of two for different thruster cathode region geometries. The design usefulness was limited by this factor of two uncertainty and by the accuracy to which the plasma parameters required as inputs to the model were specified.

Analysis of structure of hyperfine poly(3-hydroxybutyrate) fibers (PHB) for controlled drug delivery

NASA Astrophysics Data System (ADS)

Olkhov, A. A.; Kosenko, R. Yu; Markin, V. S.; Zykova, A. K.; Pantyukhov, P. V.; Karpova, S. G.; Iordanskii, A. L.

2017-12-01

Hyperfine fibers based on biodegradable poly (3-hydroxybutyrate) with encapsulated drug substance (dipyridamol) were obtained by using electrospinning method. Addition of dipyridamol has a significant effect on geometrical shape and structure of microfibers as well as total porosity of fibrous material. Observation of fibers using scanning electron microscopy (SEM) method showed that without or at lower dipyridamol content (<3%) fibers consisted of interleaved ellipsoid and cylindrical fragments. At higher dipyridamol content (3-5%) anomalous ellipsoid structures did not practically form, and fiber’s shape became cylindrical. The totality of morphological and structural characteristics determined the rate of dipyridamol diffusive transports. The simplified model of drug desorption from fibrous matrix was presented. In current work it was showed that the rate-limiting stage of transport was the diffusion of dipyridamol in the bulk of cylindrical fibers.

Assessment of uncertainty in the numerical simulation of solar irradiance over inclined PV panels: New algorithms using measurements and modeling tools

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

Xie, Yu; Sengupta, Manajit; Dooraghi, Mike

Development of accurate transposition models to simulate plane-of-array (POA) irradiance from horizontal measurements or simulations is a complex process mainly because of the anisotropic distribution of diffuse solar radiation in the atmosphere. The limited availability of reliable POA measurements at large temporal and spatial scales leads to difficulties in the comprehensive evaluation of transposition models. This paper proposes new algorithms to assess the uncertainty of transposition models using both surface-based observations and modeling tools. We reviewed the analytical derivation of POA irradiance and the approximation of isotropic diffuse radiation that simplifies the computation. Two transposition models are evaluated against themore » computation by the rigorous analytical solution. We proposed a new algorithm to evaluate transposition models using the clear-sky measurements at the National Renewable Energy Laboratory's (NREL's) Solar Radiation Research Laboratory (SRRL) and a radiative transfer model that integrates diffuse radiances of various sky-viewing angles. We found that the radiative transfer model and a transposition model based on empirical regressions are superior to the isotropic models when compared to measurements. We further compared the radiative transfer model to the transposition models under an extensive range of idealized conditions. Our results suggest that the empirical transposition model has slightly higher cloudy-sky POA irradiance than the radiative transfer model, but performs better than the isotropic models under clear-sky conditions. Significantly smaller POA irradiances computed by the transposition models are observed when the photovoltaics (PV) panel deviates from the azimuthal direction of the sun. The new algorithms developed in the current study have opened the door to a more comprehensive evaluation of transposition models for various atmospheric conditions and solar and PV orientations.« less

Assessment of uncertainty in the numerical simulation of solar irradiance over inclined PV panels: New algorithms using measurements and modeling tools

DOE PAGES

Xie, Yu; Sengupta, Manajit; Dooraghi, Mike

2018-03-20

Development of accurate transposition models to simulate plane-of-array (POA) irradiance from horizontal measurements or simulations is a complex process mainly because of the anisotropic distribution of diffuse solar radiation in the atmosphere. The limited availability of reliable POA measurements at large temporal and spatial scales leads to difficulties in the comprehensive evaluation of transposition models. This paper proposes new algorithms to assess the uncertainty of transposition models using both surface-based observations and modeling tools. We reviewed the analytical derivation of POA irradiance and the approximation of isotropic diffuse radiation that simplifies the computation. Two transposition models are evaluated against themore » computation by the rigorous analytical solution. We proposed a new algorithm to evaluate transposition models using the clear-sky measurements at the National Renewable Energy Laboratory's (NREL's) Solar Radiation Research Laboratory (SRRL) and a radiative transfer model that integrates diffuse radiances of various sky-viewing angles. We found that the radiative transfer model and a transposition model based on empirical regressions are superior to the isotropic models when compared to measurements. We further compared the radiative transfer model to the transposition models under an extensive range of idealized conditions. Our results suggest that the empirical transposition model has slightly higher cloudy-sky POA irradiance than the radiative transfer model, but performs better than the isotropic models under clear-sky conditions. Significantly smaller POA irradiances computed by the transposition models are observed when the photovoltaics (PV) panel deviates from the azimuthal direction of the sun. The new algorithms developed in the current study have opened the door to a more comprehensive evaluation of transposition models for various atmospheric conditions and solar and PV orientations.« less

Temperature Variations in Lubricating Films Induced by Viscous Dissipation

NASA Astrophysics Data System (ADS)

Mozaffari, Farshad; Metcalfe, Ralph

2015-11-01

We have studied temperature distributions of lubricating films. The study has applications in tribology where temperature-reduced viscosity decreases load carrying capacity of bearings, or degrades elastomeric seals. The viscosity- temperature dependency is modeled according to ASTM D341-09. We have modeled the film temperature distribution by our finite element program. The program is made up of three modules: the first one solves the general form of Reynolds equation for the film pressure and velocity gradients. The other two solve the energy equation for the film and its solid boundary temperature distributions. The modules are numerically coupled and iteratively converged to the solutions. We have shown that the temperature distribution in the film is strongly coupled with the thermal response at the boundary. In addition, only thermal diffusion across film thickness is dominant. Moreover, thermal diffusion in the lateral directions, as well as all the convection terms, are negligible. The approximation reduces the energy equation to an ordinary differential equation, which significantly simplifies the modeling of temperature -viscosity effects in thin films. Supported by Kalsi Engineering, Inc.

Spreading and vanishing in a West Nile virus model with expanding fronts

NASA Astrophysics Data System (ADS)

Tarboush, Abdelrazig K.; Lin, ZhiGui; Zhang, MengYun

2017-05-01

In this paper, we study a simplified version of a West Nile virus model discussed by Lewis et al. [28], which was considered as a first approximation for the spatial spread of WNv. The basic reproduction number $R_0$ for the non-spatial epidemic model is defined and a threshold parameter $R_0 ^D$ for the corresponding problem with null Dirichlet boundary condition is introduced. We consider a free boundary problem with coupled system, which describes the diffusion of birds by a PDE and the movement of mosquitoes by a ODE. The risk index $R_0^F (t)$ associated with the disease in spatial setting is represented. Sufficient conditions for the WNv to eradicate or to spread are given. The asymptotic behavior of the solution to system when the spreading occurs are considered. It is shown that the initial number of infected populations, the diffusion rate of birds and the length of initial habitat exhibit important impacts on the vanishing or spreading of the virus. Numerical simulations are presented to illustrate the analytical results.

Brownian motion of arbitrarily shaped particles in two dimensions.

PubMed

Chakrabarty, Ayan; Konya, Andrew; Wang, Feng; Selinger, Jonathan V; Sun, Kai; Wei, Qi-Huo

2014-11-25

We implement microfabricated boomerang particles with unequal arm lengths as a model for nonsymmetric particles and study their Brownian motion in a quasi-two-dimensional geometry by using high-precision single-particle motion tracking. We show that because of the coupling between translation and rotation, the mean squared displacements of a single asymmetric boomerang particle exhibit a nonlinear crossover from short-time faster to long-time slower diffusion, and the mean displacements for fixed initial orientation are nonzero and saturate out at long times. The measured anisotropic diffusion coefficients versus the tracking point position indicate that there exists one unique point, i.e., the center of hydrodynamic stress (CoH), at which all coupled diffusion coefficients vanish. This implies that in contrast to motion in three dimensions where the CoH exists only for high-symmetry particles, the CoH always exists for Brownian motion in two dimensions. We develop an analytical model based on Langevin theory to explain the experimental results and show that among the six anisotropic diffusion coefficients only five are independent because the translation-translation coupling originates from the translation-rotation coupling. Finally, we classify the behavior of two-dimensional Brownian motion of arbitrarily shaped particles into four groups based on the particle shape symmetry group and discussed potential applications of the CoH in simplifying understanding of the circular motions of microswimmers.

Regenerated keratin membrane to match the in vitro drug diffusion through human epidermis

PubMed Central

Selmin, Francesca; Cilurzo, Francesco; Aluigi, Annalisa; Franzè, Silvia; Minghetti, Paola

2012-01-01

This work aimed to develop membranes made of regenerated keratin and ceramides (CERs) to match the barrier property of the human stratum corneum in in vitro percutaneous absorption studies. The membrane composition was optimized on the basis of the in vitro drug diffusion profiles of ibuprofen, propranolol and testosterone chosen as model drugs on the basis of their different diffusion and solubility properties. The data were compared to those obtained using human epidermis. The ATR-FTIR and SEM analyses revealed that CERs were suspended into the regenerated keratin matrix, even if a partial solubilization occurred. It resulted in the membranes being physically stable after exposure to aqueous buffer and/or mineral oil and the fluxes of ibuprofen and propranolol from these vehicles through membranes and human skin were of the same order of magnitude. The best relationship with human epidermis data was obtained with 180 μm-thick membrane containing 1% ceramide III and 1% ceramide VI. The data on the testosterone diffusion were affected by the exposure of the membrane to a water/ethanol solution over a prolonged period of time, indicating that such an organic solvent was able to modify the supermolecular organization of keratin and CERs. The keratin/CER membranes can represent a simplified model to assay the in vitro skin permeability study of small molecules. PMID:25755997

Full three-dimensional morphology evolution of amorphous thin films for atomic layer deposition

NASA Astrophysics Data System (ADS)

Jin, Lingpeng; Li, Yawei; Hu, Zhigao; Chu, Junhao

2018-04-01

We introduce a Monte Carlo model based on random deposition and diffusion limited aggregation in order to study the morphological evolution of deposition of nanofilm, which is difficult to carry out by the experimental methods. The instantaneous evolution of morphology and the corresponding parameters are observed when employing a novel perspective, modeling the aggregation of nanoscale units. Despite simplifying the chemical details, the simulation results qualitatively describe experiments with bulky precursors, and the strong dependence of growth rate on steric hindrance is obtained. Moreover, the well know behavior that the delay before steady growth is accurately predicted and analyzed based solely on modeling. Through this work, the great influence of steric hindrance on the initial stage of ALD is described.

Homogeneous-heterogeneous reactions in curved channel with porous medium

NASA Astrophysics Data System (ADS)

Hayat, T.; Ayub, Sadia; Alsaedi, A.

2018-06-01

Purpose of the present investigation is to examine the peristaltic flow through porous medium in a curved conduit. Problem is modeled for incompressible electrically conducting Ellis fluid. Influence of porous medium is tackled via modified Darcy's law. The considered model utilizes homogeneous-heterogeneous reactions with equal diffusivities for reactant and autocatalysis. Constitutive equations are formulated in the presence of viscous dissipation. Channel walls are compliant in nature. Governing equations are modeled and simplified under the assumptions of small Reynolds number and large wavelength. Graphical results for velocity, temperature, heat transfer coefficient and homogeneous-heterogeneous reaction parameters are examined for the emerging parameters entering into the problem. Results reveal an activation in both homogenous-heterogenous reaction effect and heat transfer rate with increasing curvature of the channel.

A class of exact solutions for biomacromolecule diffusion-reaction in live cells.

PubMed

Sadegh Zadeh, Kouroush; Montas, Hubert J

2010-06-07

A class of novel explicit analytic solutions for a system of n+1 coupled partial differential equations governing biomolecular mass transfer and reaction in living organisms are proposed, evaluated, and analyzed. The solution process uses Laplace and Hankel transforms and results in a recursive convolution of an exponentially scaled Gaussian with modified Bessel functions. The solution is developed for wide range of biomolecular binding kinetics from pure diffusion to multiple binding reactions. The proposed approach provides solutions for both Dirac and Gaussian laser beam (or fluorescence-labeled biomacromolecule) profiles during the course of a Fluorescence Recovery After Photobleaching (FRAP) experiment. We demonstrate that previous models are simplified forms of our theory for special cases. Model analysis indicates that at the early stages of the transport process, biomolecular dynamics is governed by pure diffusion. At large times, the dominant mass transfer process is effective diffusion. Analysis of the sensitivity equations, derived analytically and verified by finite difference differentiation, indicates that experimental biologists should use full space-time profile (instead of the averaged time series) obtained at the early stages of the fluorescence microscopy experiments to extract meaningful physiological information from the protocol. Such a small time frame requires improved bioinstrumentation relative to that in use today. Our mathematical analysis highlights several limitations of the FRAP protocol and provides strategies to improve it. The proposed model can be used to study biomolecular dynamics in molecular biology, targeted drug delivery in normal and cancerous tissues, motor-driven axonal transport in normal and abnormal nervous systems, kinetics of diffusion-controlled reactions between enzyme and substrate, and to validate numerical simulators of biological mass transport processes in vivo. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

SOVENT BASED ENHANCED OIL RECOVERY FOR IN-SITU UPGRADING OF HEAVY OIL SANDS

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

Munroe, Norman

With the depletion of conventional crude oil reserves in the world, heavy oil and bitumen resources have great potential to meet the future demand for petroleum products. However, oil recovery from heavy oil and bitumen reservoirs is much more difficult than that from conventional oil reservoirs. This is mainly because heavy oil or bitumen is partially or completely immobile under reservoir conditions due to its extremely high viscosity, which creates special production challenges. In order to overcome these challenges significant efforts were devoted by Applied Research Center (ARC) at Florida International University and The Center for Energy Economics (CEE) atmore » the University of Texas. A simplified model was developed to assess the density of the upgraded crude depending on the ratio of solvent mass to crude oil mass, temperature, pressure and the properties of the crude oil. The simplified model incorporated the interaction dynamics into a homogeneous, porous heavy oil reservoir to simulate the dispersion and concentration of injected CO2. The model also incorporated the characteristic of a highly varying CO2 density near the critical point. Since the major challenge in heavy oil recovery is its high viscosity, most researchers have focused their investigations on this parameter in the laboratory as well as in the field resulting in disparaging results. This was attributed to oil being a complex poly-disperse blend of light and heavy paraffins, aromatics, resins and asphaltenes, which have diverse behaviors at reservoir temperature and pressures. The situation is exacerbated by a dearth of experimental data on gas diffusion coefficients in heavy oils due to the tedious nature of diffusivity measurements. Ultimately, the viscosity and thus oil recovery is regulated by pressure and its effect on the diffusion coefficient and oil swelling factors. The generation of a new phase within the crude and the differences in mobility between the new crude matrix and the precipitate readily enables removal of asphaltenes. Thus, an upgraded crude low in heavy metal, sulfur and nitrogen is more conducive for further purification.« less

Full Core TREAT Kinetics Demonstration Using Rattlesnake/BISON Coupling Within MAMMOTH

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

Ortensi, Javier; DeHart, Mark D.; Gleicher, Frederick N.

2015-08-01

This report summarizes key aspects of research in evaluation of modeling needs for TREAT transient simulation. Using a measured TREAT critical measurement and a transient for a small, experimentally simplified core, Rattlesnake and MAMMOTH simulations are performed building from simple infinite media to a full core model. Cross sections processing methods are evaluated, various homogenization approaches are assessed and the neutronic behavior of the core studied to determine key modeling aspects. The simulation of the minimum critical core with the diffusion solver shows very good agreement with the reference Monte Carlo simulation and the experiment. The full core transient simulationmore » with thermal feedback shows a significantly lower power peak compared to the documented experimental measurement, which is not unexpected in the early stages of model development.« less

The computation of standard solar models

NASA Technical Reports Server (NTRS)

Ulrich, Roger K.; Cox, Arthur N.

1991-01-01

Procedures for calculating standard solar models with the usual simplifying approximations of spherical symmetry, no mixing except in the surface convection zone, no mass loss or gain during the solar lifetime, and no separation of elements by diffusion are described. The standard network of nuclear reactions among the light elements is discussed including rates, energy production and abundance changes. Several of the equation of state and opacity formulations required for the basic equations of mass, momentum and energy conservation are presented. The usual mixing-length convection theory is used for these results. Numerical procedures for calculating the solar evolution, and current evolution and oscillation frequency results for the present sun by some recent authors are given.

The effect of collagen fibril orientation on the biphasic mechanics of articular cartilage.

PubMed

Meng, Qingen; An, Shuqiang; Damion, Robin A; Jin, Zhongmin; Wilcox, Ruth; Fisher, John; Jones, Alison

2017-01-01

The highly inhomogeneous distribution of collagen fibrils may have important effects on the biphasic mechanics of articular cartilage. However, the effect of the inhomogeneity of collagen fibrils has mainly been investigated using simplified three-layered models, which may have underestimated the effect of collagen fibrils by neglecting their realistic orientation. The aim of this study was to investigate the effect of the realistic orientation of collagen fibrils on the biphasic mechanics of articular cartilage. Five biphasic material models, each of which included a different level of complexity of fibril reinforcement, were solved using two different finite element software packages (Abaqus and FEBio). Model 1 considered the realistic orientation of fibrils, which was derived from diffusion tensor magnetic resonance images. The simplified three-layered orientation was used for Model 2. Models 3-5 were three control models. The realistic collagen orientations obtained in this study were consistent with the literature. Results from the two finite element implementations were in agreement for each of the conditions modelled. The comparison between the control models confirmed some functions of collagen fibrils. The comparison between Models 1 and 2 showed that the widely-used three-layered inhomogeneous model can produce similar fluid load support to the model including the realistic fibril orientation; however, an accurate prediction of the other mechanical parameters requires the inclusion of the realistic orientation of collagen fibrils. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

A cross-diffusion system derived from a Fokker-Planck equation with partial averaging

NASA Astrophysics Data System (ADS)

Jüngel, Ansgar; Zamponi, Nicola

2017-02-01

A cross-diffusion system for two components with a Laplacian structure is analyzed on the multi-dimensional torus. This system, which was recently suggested by P.-L. Lions, is formally derived from a Fokker-Planck equation for the probability density associated with a multi-dimensional Itō process, assuming that the diffusion coefficients depend on partial averages of the probability density with exponential weights. A main feature is that the diffusion matrix of the limiting cross-diffusion system is generally neither symmetric nor positive definite, but its structure allows for the use of entropy methods. The global-in-time existence of positive weak solutions is proved and, under a simplifying assumption, the large-time asymptotics is investigated.

Free boundary models for mosquito range movement driven by climate warming.

PubMed

Bao, Wendi; Du, Yihong; Lin, Zhigui; Zhu, Huaiping

2018-03-01

As vectors, mosquitoes transmit numerous mosquito-borne diseases. Among the many factors affecting the distribution and density of mosquitoes, climate change and warming have been increasingly recognized as major ones. In this paper, we make use of three diffusive logistic models with free boundary in one space dimension to explore the impact of climate warming on the movement of mosquito range. First, a general model incorporating temperature change with location and time is introduced. In order to gain insights of the model, a simplified version of the model with the change of temperature depending only on location is analyzed theoretically, for which the dynamical behavior is completely determined and presented. The general model can be modified into a more realistic one of seasonal succession type, to take into account of the seasonal changes of mosquito movements during each year, where the general model applies only for the time period of the warm seasons of the year, and during the cold season, the mosquito range is fixed and the population is assumed to be in a hibernating status. For both the general model and the seasonal succession model, our numerical simulations indicate that the long-time dynamical behavior is qualitatively similar to the simplified model, and the effect of climate warming on the movement of mosquitoes can be easily captured. Moreover, our analysis reveals that hibernating enhances the chances of survival and successful spreading of the mosquitoes, but it slows down the spreading speed.

A computational neural approach to support the discovery of gene function and classes of cancer.

PubMed

Azuaje, F

2001-03-01

Advances in molecular classification of tumours may play a central role in cancer treatment. Here, a novel approach to genome expression pattern interpretation is described and applied to the recognition of B-cell malignancies as a test set. Using cDNA microarrays data generated by a previous study, a neural network model known as simplified fuzzy ARTMAP is able to identify normal and diffuse large B-cell lymphoma (DLBCL) patients. Furthermore, it discovers the distinction between patients with molecularly distinct forms of DLBCL without previous knowledge of those subtypes.

Transport Phenomena During Equiaxed Solidification of Alloys

NASA Technical Reports Server (NTRS)

Beckermann, C.; deGroh, H. C., III

1997-01-01

Recent progress in modeling of transport phenomena during dendritic alloy solidification is reviewed. Starting from the basic theorems of volume averaging, a general multiphase modeling framework is outlined. This framework allows for the incorporation of a variety of microscale phenomena in the macroscopic transport equations. For the case of diffusion dominated solidification, a simplified set of model equations is examined in detail and validated through comparisons with numerous experimental data for both columnar and equiaxed dendritic growth. This provides a critical assessment of the various model assumptions. Models that include melt flow and solid phase transport are also discussed, although their validation is still at an early stage. Several numerical results are presented that illustrate some of the profound effects of convective transport on the final compositional and structural characteristics of a solidified part. Important issues that deserve continuing attention are identified.

SEE rate estimation based on diffusion approximation of charge collection

NASA Astrophysics Data System (ADS)

Sogoyan, Armen V.; Chumakov, Alexander I.; Smolin, Anatoly A.

2018-03-01

The integral rectangular parallelepiped (IRPP) method remains the main approach to single event rate (SER) prediction for aerospace systems, despite the growing number of issues impairing method's validity when applied to scaled technology nodes. One of such issues is uncertainty in parameters extraction in the IRPP method, which can lead to a spread of several orders of magnitude in the subsequently calculated SER. The paper presents an alternative approach to SER estimation based on diffusion approximation of the charge collection by an IC element and geometrical interpretation of SEE cross-section. In contrast to the IRPP method, the proposed model includes only two parameters which are uniquely determined from the experimental data for normal incidence irradiation at an ion accelerator. This approach eliminates the necessity of arbitrary decisions during parameter extraction and, thus, greatly simplifies calculation procedure and increases the robustness of the forecast.

The Anderson localization problem, the Fermi-Pasta-Ulam paradox and the generalized diffusion approach

NASA Astrophysics Data System (ADS)

Kuzovkov, V. N.

2011-12-01

The goal of this paper is twofold. First, based on the interpretation of a quantum tight-binding model in terms of a classical Hamiltonian map, we consider the Anderson localization (AL) problem as the Fermi-Pasta-Ulam (FPU) effect in a modified dynamical system containing both stable and unstable (inverted) modes. Delocalized states in the AL are analogous to the stable quasi-periodic motion in FPU, whereas localized states are analogous to thermalization, respectively. The second aim is to use the classical Hamilton map for a simplified derivation of exact equations for the localization operator H(z). The latter was presented earlier (Kuzovkov et al 2002 J. Phys.: Condens. Matter 14 13777) treating the AL as a generalized diffusion in a dynamical system. We demonstrate that counter-intuitive results of our studies of the AL are similar to the FPU counter-intuitivity.

Parameterization using Fourier series expansion of the diffuse reflectance of human skin to vary the concentration of the melanocytes

NASA Astrophysics Data System (ADS)

Narea, J. Freddy; Muñoz, Aarón A.; Castro, Jorge; Muñoz, Rafael A.; Villalba, Caroleny E.; Martinez, María. F.; Bravo, Kelly D.

2013-11-01

Human skin has been studied in numerous investigations, given the interest in knowing information about physiology, morphology and chemical composition. These parameters can be determined using non invasively optical techniques in vivo, such as the diffuse reflectance spectroscopy. The human skin color is determined by many factors, but primarily by the amount and distribution of the pigment melanin. The melanin is produced by the melanocytes in the basal layer of the epidermis. This research characterize the spectral response of the human skin using the coefficients of Fourier series expansion. Simulating the radiative transfer equation for the Monte Carlo method to vary the concentration of the melanocytes (fme) in a simplified model of human skin. It fits relating the Fourier series coefficient a0 with fme. Therefore it is possible to recover the skin biophysical parameter.

Local Interactions of Hydrometeors by Diffusion in Mixed-Phase Clouds

NASA Astrophysics Data System (ADS)

Baumgartner, Manuel; Spichtinger, Peter

2017-04-01

Mixed-phase clouds, containing both ice particles and liquid droplets, are important for the Earth-Atmosphere system. They modulate the radiation budget by a combination of albedo effect and greenhouse effect. In contrast to liquid water clouds, the radiative impact of clouds containing ice particles is still uncertain. Scattering and absorption highly depends in microphysical properties of ice crystals, e.g. size and shape. In addition, most precipitation on Earth forms via the ice phase. Thus, better understanding of ice processes as well as their representation in models is required. A key process for determining shape and size of ice crystals is diffusional growth. Diffusion processes in mixed-phase clouds are highly uncertain; in addition they are usually highly simplified in cloud models, especially in bulk microphysics parameterizations. The direct interaction between cloud droplets and ice particles, due to spatial inhomogeneities, is ignored; the particles can only interact via their environmental conditions. Local effects as supply of supersaturation due to clusters of droplets around ice particles are usually not represented, although they form the physical basis of the Wegener-Bergeron-Findeisen process. We present direct numerical simulations of the interaction of single ice particles and droplets, especially their local competition for the available water vapor. In addition, we show an approach to parameterize local interactions by diffusion. The suggested parameterization uses local steady-state solutions of the diffusion equations for water vapor for an ice particle as well as a droplet. The individual solutions are coupled together to obtain the desired interaction. We show some results of the scheme as implemented in a parcel model.

Longitudinal patterns and response lengths of algae in riverine ecosystems: A model analysis emphasising benthic-pelagic interactions.

PubMed

Jäger, Christoph G; Borchardt, Dietrich

2018-04-07

In riverine ecosystems primary production is principally possible in two habitats: in the benthic layer by sessile algae and in the surface water by planktonic algae being transported downstream. The relevance of these two habitats generally changes along the rivers' continuum. However, analyses of the interaction of algae in these two habitats and their controlling factors in riverine ecosystems are, so far, very rare. We use a simplified advection-diffusion model system combined with ecological process kinetics to analyse the interaction of benthic and planktonic algae and nutrients along idealised streams and rivers at regional to large scales. Because many of the underlying processes affecting algal dynamics are influenced by depth, we focus particularly on the impact of river depth on this interaction. At constant environmental conditions all state variables approach stable spatial equilibria along the river, independent of the boundary conditions at the upstream end. Because our model is very robust against changes of turbulent diffusion and stream velocity, these spatial equilibria can be analysed by a simplified ordinary differential equation (ode) version of our model. This model variant reveals that at shallower river depths, phytoplankton can exist only when it is subsidised by detaching benthic algae, and in turn, at deeper river depths, benthic algae can exist only in low biomasses which are subsidised by sinking planktonic algae. We generalise the spatial dynamics of the model system using different conditions at the upstream end of the model, which mimic various natural or anthropogenic factors (pristine source, dam, inflow of a waste water treatment plant, and dilution from e.g. a tributary) and analyse how these scenarios influence different aspects of the longitudinal spatial dynamics of the full spatial model: the relation of spatial equilibrium to spatial maximum, the distance to the spatial maximum, and the response length. Generally, our results imply that shallow systems recover within significantly shorter distances from spatially distinct disturbances when compared to deep systems, independent of the type of disturbance. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

NASA Astrophysics Data System (ADS)

Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada

2011-06-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

Photon migration in non-scattering tissue and the effects on image reconstruction

NASA Astrophysics Data System (ADS)

Dehghani, H.; Delpy, D. T.; Arridge, S. R.

1999-12-01

Photon propagation in tissue can be calculated using the relationship described by the transport equation. For scattering tissue this relationship is often simplified and expressed in terms of the diffusion approximation. This approximation, however, is not valid for non-scattering regions, for example cerebrospinal fluid (CSF) below the skull. This study looks at the effects of a thin clear layer in a simple model representing the head and examines its effect on image reconstruction. Specifically, boundary photon intensities (total number of photons exiting at a point on the boundary due to a source input at another point on the boundary) are calculated using the transport equation and compared with data calculated using the diffusion approximation for both non-scattering and scattering regions. The effect of non-scattering regions on the calculated boundary photon intensities is presented together with the advantages and restrictions of the transport code used. Reconstructed images are then presented where the forward problem is solved using the transport equation for a simple two-dimensional system containing a non-scattering ring and the inverse problem is solved using the diffusion approximation to the transport equation.

Pragmatic hydraulic theory predicts stomatal responses to climatic water deficits.

PubMed

Sperry, John S; Wang, Yujie; Wolfe, Brett T; Mackay, D Scott; Anderegg, William R L; McDowell, Nate G; Pockman, William T

2016-11-01

Ecosystem models have difficulty predicting plant drought responses, partially from uncertainty in the stomatal response to water deficits in soil and atmosphere. We evaluate a 'supply-demand' theory for water-limited stomatal behavior that avoids the typical scaffold of empirical response functions. The premise is that canopy water demand is regulated in proportion to threat to supply posed by xylem cavitation and soil drying. The theory was implemented in a trait-based soil-plant-atmosphere model. The model predicted canopy transpiration (E), canopy diffusive conductance (G), and canopy xylem pressure (P canopy ) from soil water potential (P soil ) and vapor pressure deficit (D). Modeled responses to D and P soil were consistent with empirical response functions, but controlling parameters were hydraulic traits rather than coefficients. Maximum hydraulic and diffusive conductances and vulnerability to loss in hydraulic conductance dictated stomatal sensitivity and hence the iso- to anisohydric spectrum of regulation. The model matched wide fluctuations in G and P canopy across nine data sets from seasonally dry tropical forest and piñon-juniper woodland with < 26% mean error. Promising initial performance suggests the theory could be useful in improving ecosystem models. Better understanding of the variation in hydraulic properties along the root-stem-leaf continuum will simplify parameterization. © 2016 The Authors. New Phytologist © 2016 New Phytologist Trust.

High-throughput migration modelling for estimating exposure to chemicals in food packaging in screening and prioritization tools.

PubMed

Ernstoff, Alexi S; Fantke, Peter; Huang, Lei; Jolliet, Olivier

2017-11-01

Specialty software and simplified models are often used to estimate migration of potentially toxic chemicals from packaging into food. Current models, however, are not suitable for emerging applications in decision-support tools, e.g. in Life Cycle Assessment and risk-based screening and prioritization, which require rapid computation of accurate estimates for diverse scenarios. To fulfil this need, we develop an accurate and rapid (high-throughput) model that estimates the fraction of organic chemicals migrating from polymeric packaging materials into foods. Several hundred step-wise simulations optimised the model coefficients to cover a range of user-defined scenarios (e.g. temperature). The developed model, operationalised in a spreadsheet for future dissemination, nearly instantaneously estimates chemical migration, and has improved performance over commonly used model simplifications. When using measured diffusion coefficients the model accurately predicted (R 2  = 0.9, standard error (S e ) = 0.5) hundreds of empirical data points for various scenarios. Diffusion coefficient modelling, which determines the speed of chemical transfer from package to food, was a major contributor to uncertainty and dramatically decreased model performance (R 2  = 0.4, S e  = 1). In all, this study provides a rapid migration modelling approach to estimate exposure to chemicals in food packaging for emerging screening and prioritization approaches. Copyright © 2017 Elsevier Ltd. All rights reserved.

Improving estimates of subsurface gas transport in unsaturated fractured media using experimental Xe diffusion data and numerical methods

NASA Astrophysics Data System (ADS)

Ortiz, J. P.; Ortega, A. D.; Harp, D. R.; Boukhalfa, H.; Stauffer, P. H.

2017-12-01

Gas transport in unsaturated fractured media plays an important role in a variety of applications, including detection of underground nuclear explosions, transport from volatile contaminant plumes, shallow CO2 leakage from carbon sequestration sites, and methane leaks from hydraulic fracturing operations. Gas breakthrough times are highly sensitive to uncertainties associated with a variety of hydrogeologic parameters, including: rock type, fracture aperture, matrix permeability, porosity, and saturation. Furthermore, a couple simplifying assumptions are typically employed when representing fracture flow and transport. Aqueous phase transport is typically considered insignificant compared to gas phase transport in unsaturated fracture flow regimes, and an assumption of instantaneous dissolution/volatilization of radionuclide gas is commonly used to reduce computational expense. We conduct this research using a twofold approach that combines laboratory gas experimentation and numerical modeling to verify and refine these simplifying assumptions in our current models of gas transport. Using a gas diffusion cell, we are able to measure air pressure transmission through fractured tuff core samples while also measuring Xe gas breakthrough measured using a mass spectrometer. We can thus create synthetic barometric fluctuations akin to those observed in field tests and measure the associated gas flow through the fracture and matrix pore space for varying degrees of fluid saturation. We then attempt to reproduce the experimental results using numerical models in PLFOTRAN and FEHM codes to better understand the importance of different parameters and assumptions on gas transport. Our numerical approaches represent both single-phase gas flow with immobile water, as well as full multi-phase transport in order to test the validity of assuming immobile pore water. Our approaches also include the ability to simulate the reaction equilibrium kinetics of dissolution/volatilization in order to identify when the assumption of instantaneous equilibrium is reasonable. These efforts will aid us in our application of such models to larger, field-scale tests and improve our ability to predict gas breakthrough times.

Diffusion of Supercritical Fluids through Single-Layer Nanoporous Solids: Theory and Molecular Simulations.

PubMed

Oulebsir, Fouad; Vermorel, Romain; Galliero, Guillaume

2018-01-16

With the advent of graphene material, membranes based on single-layer nanoporous solids appear as promising devices for fluid separation, be it liquid or gaseous mixtures. The design of such architectured porous materials would greatly benefit from accurate models that can predict their transport and separation properties. More specifically, there is no universal understanding of how parameters such as temperature, fluid loading conditions, or the ratio of the pore size to the fluid molecular diameter influence the permeation process. In this study, we address the problem of pure supercritical fluids diffusing through simplified models of single-layer porous materials. Basically, we investigate a toy model that consists of a single-layer lattice of Lennard-Jones interaction sites with a slit gap of controllable width. We performed extensive equilibrium and biased molecular dynamics simulations to document the physical mechanisms involved at the molecular scale. We propose a general constitutive equation for the diffusional transport coefficient derived from classical statistical mechanics and kinetic theory, which can be further simplified in the ideal gas limit. This transport coefficient relates the molecular flux to the fluid density jump across the single-layer membrane. It is found to be proportional to the accessible surface porosity of the single-layer porous solid and to a thermodynamic factor accounting for the inhomogeneity of the fluid close to the pore entrance. Both quantities directly depend on the potential of mean force that results from molecular interactions between solid and fluid atoms. Comparisons with the simulations data show that the kinetic model captures how narrowing the pore size below the fluid molecular diameter lowers dramatically the value of the transport coefficient. Furthermore, we demonstrate that our general constitutive equation allows for a consistent interpretation of the intricate effects of temperature and fluid loading conditions on the permeation process.

Simplified energy-balance model for pragmatic multi-dimensional device simulation

NASA Astrophysics Data System (ADS)

Chang, Duckhyun; Fossum, Jerry G.

1997-11-01

To pragmatically account for non-local carrier heating and hot-carrier effects such as velocity overshoot and impact ionization in multi-dimensional numerical device simulation, a new simplified energy-balance (SEB) model is developed and implemented in FLOODS[16] as a pragmatic option. In the SEB model, the energy-relaxation length is estimated from a pre-process drift-diffusion simulation using the carrier-velocity distribution predicted throughout the device domain, and is used without change in a subsequent simpler hydrodynamic (SHD) simulation. The new SEB model was verified by comparison of two-dimensional SHD and full HD DC simulations of a submicron MOSFET. The SHD simulations yield detailed distributions of carrier temperature, carrier velocity, and impact-ionization rate, which agree well with the full HD simulation results obtained with FLOODS. The most noteworthy feature of the new SEB/SHD model is its computational efficiency, which results from reduced Newton iteration counts caused by the enhanced linearity. Relative to full HD, SHD simulation times can be shorter by as much as an order of magnitude since larger voltage steps for DC sweeps and larger time steps for transient simulations can be used. The improved computational efficiency can enable pragmatic three-dimensional SHD device simulation as well, for which the SEB implementation would be straightforward as it is in FLOODS or any robust HD simulator.

Suitability of the first-order mass transfer concept for describing cyclic diffusive mass transfer in stagnant zones

NASA Astrophysics Data System (ADS)

Griffioen, Jasper

1998-10-01

The concept of first-order mass transfer between mobile and immobile regions, which mathematically simplifies the concept of Fickian diffusion in stagnant areas, has often been used to describe physical nonequilibrium transport of solutes into natural porous media. This study compares the two concepts, using analytical expressions describing cyclic mass transfer into and out of stagnant layers. The results show that the first-order mass transfer concept cannot describe continuous diffusion into the immobile zone during period of net outward diffusion if the immobile zone has not filled completely during the period of net inward diffusion. This sets phenomenological limitations to the first-order mass transfer concept when short periods of relative time are involved; these limitations have to be compared with the practical limitations to the Fickian diffusion concept.

Simple models for studying complex spatiotemporal patterns of animal behavior

NASA Astrophysics Data System (ADS)

Tyutyunov, Yuri V.; Titova, Lyudmila I.

2017-06-01

Minimal mathematical models able to explain complex patterns of animal behavior are essential parts of simulation systems describing large-scale spatiotemporal dynamics of trophic communities, particularly those with wide-ranging species, such as occur in pelagic environments. We present results obtained with three different modelling approaches: (i) an individual-based model of animal spatial behavior; (ii) a continuous taxis-diffusion-reaction system of partial-difference equations; (iii) a 'hybrid' approach combining the individual-based algorithm of organism movements with explicit description of decay and diffusion of the movement stimuli. Though the models are based on extremely simple rules, they all allow description of spatial movements of animals in a predator-prey system within a closed habitat, reproducing some typical patterns of the pursuit-evasion behavior observed in natural populations. In all three models, at each spatial position the animal movements are determined by local conditions only, so the pattern of collective behavior emerges due to self-organization. The movement velocities of animals are proportional to the density gradients of specific cues emitted by individuals of the antagonistic species (pheromones, exometabolites or mechanical waves of the media, e.g., sound). These cues play a role of taxis stimuli: prey attract predators, while predators repel prey. Depending on the nature and the properties of the movement stimulus we propose using either a simplified individual-based model, a continuous taxis pursuit-evasion system, or a little more detailed 'hybrid' approach that combines simulation of the individual movements with the continuous model describing diffusion and decay of the stimuli in an explicit way. These can be used to improve movement models for many species, including large marine predators.

Porous Flow and Diffusion of Water in the Mantle Wedge: Melting and Hydration Patterns

NASA Astrophysics Data System (ADS)

Conder, J. A.

2005-12-01

It is widely accepted that melting at volcanic arcs is primarily triggered by fluxing the mantle wedge from the dehydrating subducting slab. However, there is less concensus regarding how water moves into and within the mantle wedge. There are at least four possible mechanisms for water migration in the wedge: buoyant porous flow, diffusion through mineral crystals, advection of hydrated minerals, and compositionally buoyant diapers. The latter two mechanisms require at least one of the first two to occur to get water from the slab into the wedge before they can function. Using geodynamic models of mantle flow in a simplified subduction setting, we explore the implications of diffusion and porous flow of water in the wedge, particularly as they would affect the time for recycling water through the subduction factory and the predicted pattern of basalt hydration across the arc. The slab is assumed to dehydrate in a continuous fashion as the solubility of water in subducted oceanic crust decreases with temperature and pressure and the water then enters the wedge via one of the two transport mechanisms. Diffusion is controlled by temperature and by which minerals are present. Although olivine dominates the mantle mineral fraction, pyroxenes may control the diffusion of water in the wedge as the diffusivity of pyroxene is one or more orders of magnitude greater than olivine. Even assuming the faster diffusion rate of orthopyroxene in the models, diffusion can only be an important transport mechanism when subduction rates are slower than ~3 cm/yr. Flux melting occurs in the wedge above where the slab is ~100-160 km deep with the maximum above where the slab is ~120 km deep. Models including porous flow can result in melting at higher subduction rates provided the permeability of the mantle is greater than 10-17 m2. The true magnitude of the permeability likely varies with the corresponding porosity created by the free phase. With porous flow, melting occurs 20-30 km closer to the trench and the degree of melting is larger than when only diffusion is allowed. The rate of dehydration depends on the thermal structure which can affect the permeability. The dependence of permeability and diffusion with temperature may explain the variations in volcanic front location as observed at different arcs.

Additive manufacturing of liquid/gas diffusion layers for low-cost and high-efficiency hydrogen production

DOE PAGES

Mo, Jingke; Zhang, Feng -Yuan; Dehoff, Ryan R.; ...

2016-01-14

The electron beam melting (EBM) additive manufacturing technology was used to fabricate titanium liquid/gas diffusion media with high-corrosion resistances and well-controllable multifunctional parameters, including two-phase transport and excellent electric/thermal conductivities, has been first demonstrated. Their applications in proton exchange membrane eletrolyzer cells have been explored in-situ in a cell and characterized ex-situ with SEM and XRD. Compared with the conventional woven liquid/gas diffusion layers (LGDLs), much better performance with EBM fabricated LGDLs is obtained due to their significant reduction of ohmic loss. The EBM technology components exhibited several distinguished advantages in fabricating gas diffusion layer: well-controllable pore morphology and structure,more » rapid prototyping, fast manufacturing, highly customizing and economic. In addition, by taking advantage of additive manufacturing, it possible to fabricate complicated three-dimensional designs of virtually any shape from a digital model into one single solid object faster, cheaper and easier, especially for titanium. More importantly, this development will provide LGDLs with control of pore size, pore shape, pore distribution, and therefore porosity and permeability, which will be very valuable to develop modeling and to validate simulations of electrolyzers with optimal and repeatable performance. Further, it will lead to a manufacturing solution to greatly simplify the PEMEC/fuel cell components and to couple the LGDLs with other parts, since they can be easily integrated together with this advanced manufacturing process« less

A hypothesis on the formation of the primary ossification centers in the membranous neurocranium: a mathematical and computational model.

PubMed

Garzón-Alvarado, Diego A

2013-01-21

This article develops a model of the appearance and location of the primary centers of ossification in the calvaria. The model uses a system of reaction-diffusion equations of two molecules (BMP and Noggin) whose behavior is of type activator-substrate and its solution produces Turing patterns, which represents the primary ossification centers. Additionally, the model includes the level of cell maturation as a function of the location of mesenchymal cells. Thus the mature cells can become osteoblasts due to the action of BMP2. Therefore, with this model, we can have two frontal primary centers, two parietal, and one, two or more occipital centers. The location of these centers in the simplified computational model is highly consistent with those centers found at an embryonic level. Copyright © 2012 Elsevier Ltd. All rights reserved.

Improving the prospects of cleavage-based nanopore sequencing engines

NASA Astrophysics Data System (ADS)

Brady, Kyle T.; Reiner, Joseph E.

2015-08-01

Recently proposed methods for DNA sequencing involve the use of cleavage-based enzymes attached to the opening of a nanopore. The idea is that DNA interacting with either an exonuclease or polymerase protein will lead to a small molecule being cleaved near the mouth of the nanopore, and subsequent entry into the pore will yield information about the DNA sequence. The prospects for this approach seem promising, but it has been shown that diffusion related effects impose a limit on the capture probability of molecules by the pore, which limits the efficacy of the technique. Here, we revisit the problem with the goal of optimizing the capture probability via a step decrease in the nucleotide diffusion coefficient between the pore and bulk solutions. It is shown through random walk simulations and a simplified analytical model that decreasing the molecule's diffusion coefficient in the bulk relative to its value in the pore increases the nucleotide capture probability. Specifically, we show that at sufficiently high applied transmembrane potentials (≥100 mV), increasing the potential by a factor f is equivalent to decreasing the diffusion coefficient ratio Dbulk/Dpore by the same factor f. This suggests a promising route toward implementation of cleavage-based sequencing protocols. We also discuss the feasibility of forming a step function in the diffusion coefficient across the pore-bulk interface.

A selection criterion for patterns in reaction–diffusion systems

PubMed Central

2014-01-01

Background Alan Turing’s work in Morphogenesis has received wide attention during the past 60 years. The central idea behind his theory is that two chemically interacting diffusible substances are able to generate stable spatial patterns, provided certain conditions are met. Ever since, extensive work on several kinds of pattern-generating reaction diffusion systems has been done. Nevertheless, prediction of specific patterns is far from being straightforward, and a great deal of interest in deciphering how to generate specific patterns under controlled conditions prevails. Results Techniques allowing one to predict what kind of spatial structure will emerge from reaction–diffusion systems remain unknown. In response to this need, we consider a generalized reaction diffusion system on a planar domain and provide an analytic criterion to determine whether spots or stripes will be formed. Our criterion is motivated by the existence of an associated energy function that allows bringing in the intuition provided by phase transitions phenomena. Conclusions Our criterion is proved rigorously in some situations, generalizing well-known results for the scalar equation where the pattern selection process can be understood in terms of a potential. In more complex settings it is investigated numerically. Our work constitutes a first step towards rigorous pattern prediction in arbitrary geometries/conditions. Advances in this direction are highly applicable to the efficient design of Biotechnology and Developmental Biology experiments, as well as in simplifying the analysis of morphogenetic models. PMID:24476200

A Temporal Model of Cofilin Regulation and the Early Peak of Actin Barbed Ends in Invasive Tumor Cells

PubMed Central

Tania, Nessy; Prosk, Erin; Condeelis, John; Edelstein-Keshet, Leah

2011-01-01

Cofilin is an important regulator of actin polymerization, cell migration, and chemotaxis. Recent experimental data on mammary carcinoma cells reveal that stimulation by epidermal growth factor (EGF) generates a pool of active cofilin that results in a peak of actin filament barbed ends on the timescale of 1 min. Here, we present results of a mathematical model for the dynamics of cofilin and its transition between several pools in response to EGF stimulation. We describe the interactions of phospholipase C, membrane lipids (PIP2), and cofilin bound to PIP2 and to F-actin, as well as diffusible cofilin in active G-actin-monomer-bound or phosphorylated states. We consider a simplified representation in which the thin cell edge (lamellipod) and the cell interior are represented by two compartments that are linked by diffusion. We demonstrate that a high basal level of active cofilin stored by binding to PIP2, as well as the highly enriched local milieu of F-actin at the cell edge, is essential to capture the EGF-induced barbed-end amplification observed experimentally. PMID:21504724

The speed of sound in a gas–vapour bubbly liquid

PubMed Central

Prosperetti, Andrea

2015-01-01

In addition to the vapour of the liquid, bubbles in cavitating flows usually contain also a certain amount of permanent gas that diffuses out of the liquid as they grow. This paper presents a simplified linear model for the propagation of monochromatic pressure waves in a bubbly liquid with these characteristics. Phase change effects are included in detail, while the gas is assumed to follow a polytropic law. It is shown that even a small amount of permanent gas can have a major effect on the behaviour of the system. Particular attention is paid to the low-frequency range, which is of special concern in flow cavitation. Numerical results for water and liquid oxygen illustrate the implications of the model. PMID:26442146

The speed of sound in a gas-vapour bubbly liquid.

PubMed

Prosperetti, Andrea

2015-10-06

In addition to the vapour of the liquid, bubbles in cavitating flows usually contain also a certain amount of permanent gas that diffuses out of the liquid as they grow. This paper presents a simplified linear model for the propagation of monochromatic pressure waves in a bubbly liquid with these characteristics. Phase change effects are included in detail, while the gas is assumed to follow a polytropic law. It is shown that even a small amount of permanent gas can have a major effect on the behaviour of the system. Particular attention is paid to the low-frequency range, which is of special concern in flow cavitation. Numerical results for water and liquid oxygen illustrate the implications of the model.

Kinetic and thermodynamic framework for P4-P6 RNA reveals tertiary motif modularity and modulation of the folding preferred pathway

PubMed Central

Bisaria, Namita; Greenfeld, Max; Limouse, Charles; Pavlichin, Dmitri S.; Mabuchi, Hideo; Herschlag, Daniel

2016-01-01

The past decade has seen a wealth of 3D structural information about complex structured RNAs and identification of functional intermediates. Nevertheless, developing a complete and predictive understanding of the folding and function of these RNAs in biology will require connection of individual rate and equilibrium constants to structural changes that occur in individual folding steps and further relating these steps to the properties and behavior of isolated, simplified systems. To accomplish these goals we used the considerable structural knowledge of the folded, unfolded, and intermediate states of P4-P6 RNA. We enumerated structural states and possible folding transitions and determined rate and equilibrium constants for the transitions between these states using single-molecule FRET with a series of mutant P4-P6 variants. Comparisons with simplified constructs containing an isolated tertiary contact suggest that a given tertiary interaction has a stereotyped rate for breaking that may help identify structural transitions within complex RNAs and simplify the prediction of folding kinetics and thermodynamics for structured RNAs from their parts. The preferred folding pathway involves initial formation of the proximal tertiary contact. However, this preference was only ∼10 fold and could be reversed by a single point mutation, indicating that a model akin to a protein-folding contact order model will not suffice to describe RNA folding. Instead, our results suggest a strong analogy with a modified RNA diffusion-collision model in which tertiary elements within preformed secondary structures collide, with the success of these collisions dependent on whether the tertiary elements are in their rare binding-competent conformations. PMID:27493222

Quasisolitons in self-diffusive excitable systems, or Why asymmetric diffusivity obeys the Second Law

PubMed Central

Biktashev, V. N.; Tsyganov, M. A.

2016-01-01

Solitons, defined as nonlinear waves which can reflect from boundaries or transmit through each other, are found in conservative, fully integrable systems. Similar phenomena, dubbed quasi-solitons, have been observed also in dissipative, “excitable” systems, either at finely tuned parameters (near a bifurcation) or in systems with cross-diffusion. Here we demonstrate that quasi-solitons can be robustly observed in excitable systems with excitable kinetics and with self-diffusion only. This includes quasi-solitons of fixed shape (like KdV solitons) or envelope quasi-solitons (like NLS solitons). This can happen in systems with more than two components, and can be explained by effective cross-diffusion, which emerges via adiabatic elimination of a fast but diffusing component. We describe here a reduction procedure can be used for the search of complicated wave regimes in multi-component, stiff systems by studying simplified, soft systems. PMID:27491430

The Coalescent Process in Models with Selection

PubMed Central

Kaplan, N. L.; Darden, T.; Hudson, R. R.

1988-01-01

Statistical properties of the process describing the genealogical history of a random sample of genes are obtained for a class of population genetics models with selection. For models with selection, in contrast to models without selection, the distribution of this process, the coalescent process, depends on the distribution of the frequencies of alleles in the ancestral generations. If the ancestral frequency process can be approximated by a diffusion, then the mean and the variance of the number of segregating sites due to selectively neutral mutations in random samples can be numerically calculated. The calculations are greatly simplified if the frequencies of the alleles are tightly regulated. If the mutation rates between alleles maintained by balancing selection are low, then the number of selectively neutral segregating sites in a random sample of genes is expected to substantially exceed the number predicted under a neutral model. PMID:3066685

Theoretical analysis of oxygen diffusion at startup in an alkali metal heat pipe with gettered alloy walls

NASA Technical Reports Server (NTRS)

Tower, L. K.

1973-01-01

The diffusion of oxygen into, or out of, a gettered alloy exposed to oxygenated alkali liquid metal coolant, a situation arising in some high temperature heat transfer systems, was analyzed. The relation between the diffusion process and the thermochemistry of oxygen in the alloy and in the alkali metal was developed by making several simplifying assumptions. The treatment is therefore theoretical in nature. However, a practical example pertaining to the startup of a heat pipe with walls of T-111, a tantalum alloy, and lithium working fluid illustrates the use of the figures contained in the analysis.

Numerical simulations of detonation propagation in gaseous fuel-air mixtures

NASA Astrophysics Data System (ADS)

Honhar, Praveen; Kaplan, Carolyn; Houim, Ryan; Oran, Elaine

2017-11-01

Unsteady multidimensional numerical simulations of detonation propagation and survival in mixtures of fuel (hydrogen or methane) diluted with air were carried out with a fully compressible Navier-Stokes solver using a simplified chemical-diffusive model (CDM). The CDM was derived using a genetic algorithm combined with the Nelder-Mead optimization algorithm and reproduces physically correct laminar flame and detonation properties. Cases studied are overdriven detonations propagating through confined mediums, with or without gradients in composition. Results from simulations confirm that the survival of the detonation depends on the channel heights. In addition, the simulations show that the propagation of the detonation waves depends on the steepness in composition gradients.

Physical data measurements and mathematical modelling of simple gas bubble experiments in glass melts

NASA Technical Reports Server (NTRS)

Weinberg, Michael C.

1986-01-01

In this work consideration is given to the problem of the extraction of physical data information from gas bubble dissolution and growth measurements. The discussion is limited to the analysis of the simplest experimental systems consisting of a single, one component gas bubble in a glassmelt. It is observed that if the glassmelt is highly under- (super-) saturated, then surface tension effects may be ignored, simplifying the task of extracting gas diffusivity values from the measurements. If, in addition, the bubble rise velocity is very small (or very large) the ease of obtaining physical property data is enhanced. Illustrations are given for typical cases.

Relationships between diffuse reflectance and vegetation canopy variables based on the radiative transfer theory

NASA Technical Reports Server (NTRS)

Park, J. K.; Deering, D. W.

1981-01-01

Out of the lengthy original expression of the diffuse reflectance formula, simple working equations were derived by employing characteristic parameters, which are independent of the canopy coverage and identifiable by field observations. The typical asymptotic nature of reflectance data that is usually observed in biomass studies was clearly explained. The usefulness of the simplified equations was demonstrated by the exceptionally close fit of the theoretical curves to two separately acquired data sets for alfalfa and shortgrass prairie canopies.

A screening tool for delineating subregions of steady recharge within groundwater models

USGS Publications Warehouse

Dickinson, Jesse; Ferré, T.P.A.; Bakker, Mark; Crompton, Becky

2014-01-01

We have developed a screening method for simplifying groundwater models by delineating areas within the domain that can be represented using steady-state groundwater recharge. The screening method is based on an analytical solution for the damping of sinusoidal infiltration variations in homogeneous soils in the vadose zone. The damping depth is defined as the depth at which the flux variation damps to 5% of the variation at the land surface. Groundwater recharge may be considered steady where the damping depth is above the depth of the water table. The analytical solution approximates the vadose zone diffusivity as constant, and we evaluated when this approximation is reasonable. We evaluated the analytical solution through comparison of the damping depth computed by the analytic solution with the damping depth simulated by a numerical model that allows variable diffusivity. This comparison showed that the screening method conservatively identifies areas of steady recharge and is more accurate when water content and diffusivity are nearly constant. Nomograms of the damping factor (the ratio of the flux amplitude at any depth to the amplitude at the land surface) and the damping depth were constructed for clay and sand for periodic variations between 1 and 365 d and flux means and amplitudes from nearly 0 to 1 × 10−3 m d−1. We applied the screening tool to Central Valley, California, to identify areas of steady recharge. A MATLAB script was developed to compute the damping factor for any soil and any sinusoidal flux variation.

Assessment of water droplet evaporation mechanisms on hydrophobic and superhydrophobic substrates.

PubMed

Pan, Zhenhai; Dash, Susmita; Weibel, Justin A; Garimella, Suresh V

2013-12-23

Evaporation rates are predicted and important transport mechanisms identified for evaporation of water droplets on hydrophobic (contact angle ~110°) and superhydrophobic (contact angle ~160°) substrates. Analytical models for droplet evaporation in the literature are usually simplified to include only vapor diffusion in the gas domain, and the system is assumed to be isothermal. In the comprehensive model developed in this study, evaporative cooling of the interface is accounted for, and vapor concentration is coupled to local temperature at the interface. Conjugate heat and mass transfer are solved in the solid substrate, liquid droplet, and surrounding gas. Buoyancy-driven convective flows in the droplet and vapor domains are also simulated. The influences of evaporative cooling and convection on the evaporation characteristics are determined quantitatively. The liquid-vapor interface temperature drop induced by evaporative cooling suppresses evaporation, while gas-phase natural convection acts to enhance evaporation. While the effects of these competing transport mechanisms are observed to counterbalance for evaporation on a hydrophobic surface, the stronger influence of evaporative cooling on a superhydrophobic surface accounts for an overprediction of experimental evaporation rates by ~20% with vapor diffusion-based models. The local evaporation fluxes along the liquid-vapor interface for both hydrophobic and superhydrophobic substrates are investigated. The highest local evaporation flux occurs at the three-phase contact line region due to proximity to the higher temperature substrate, rather than at the relatively colder droplet top; vapor diffusion-based models predict the opposite. The numerically calculated evaporation rates agree with experimental results to within 2% for superhydrophobic substrates and 3% for hydrophobic substrates. The large deviations between past analytical models and the experimental data are therefore reconciled with the comprehensive model developed here.

Transformed Fourier and Fick equations for the control of heat and mass diffusion

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

Guenneau, S.; Petiteau, D.; Zerrad, M.

We review recent advances in the control of diffusion processes in thermodynamics and life sciences through geometric transforms in the Fourier and Fick equations, which govern heat and mass diffusion, respectively. We propose to further encompass transport properties in the transformed equations, whereby the temperature is governed by a three-dimensional, time-dependent, anisotropic heterogeneous convection-diffusion equation, which is a parabolic partial differential equation combining the diffusion equation and the advection equation. We perform two dimensional finite element computations for cloaks, concentrators and rotators of a complex shape in the transient regime. We precise that in contrast to invisibility cloaks for waves,more » the temperature (or mass concentration) inside a diffusion cloak crucially depends upon time, its distance from the source, and the diffusivity of the invisibility region. However, heat (or mass) diffusion outside cloaks, concentrators and rotators is unaffected by their presence, whatever their shape or position. Finally, we propose simplified designs of layered cylindrical and spherical diffusion cloaks that might foster experimental efforts in thermal and biochemical metamaterials.« less

Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model

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

Baudron, Anne-Marie, E-mail: anne-marie.baudron@cea.fr; CEA-DRN/DMT/SERMA, CEN-Saclay, 91191 Gif sur Yvette Cedex; Lautard, Jean-Jacques, E-mail: jean-jacques.lautard@cea.fr

2014-12-15

In this paper we present a time-parallel algorithm for the 3D neutrons calculation of a transient model in a nuclear reactor core. The neutrons calculation consists in numerically solving the time dependent diffusion approximation equation, which is a simplified transport equation. The numerical resolution is done with finite elements method based on a tetrahedral meshing of the computational domain, representing the reactor core, and time discretization is achieved using a θ-scheme. The transient model presents moving control rods during the time of the reaction. Therefore, cross-sections (piecewise constants) are taken into account by interpolations with respect to the velocity ofmore » the control rods. The parallelism across the time is achieved by an adequate use of the parareal in time algorithm to the handled problem. This parallel method is a predictor corrector scheme that iteratively combines the use of two kinds of numerical propagators, one coarse and one fine. Our method is made efficient by means of a coarse solver defined with large time step and fixed position control rods model, while the fine propagator is assumed to be a high order numerical approximation of the full model. The parallel implementation of our method provides a good scalability of the algorithm. Numerical results show the efficiency of the parareal method on large light water reactor transient model corresponding to the Langenbuch–Maurer–Werner benchmark.« less

A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

NASA Technical Reports Server (NTRS)

Grossman, B.; Garrett, J.; Cinnella, P.

1989-01-01

Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

The effect of reactions on the formation and readout of the gradient of Bicoid

NASA Astrophysics Data System (ADS)

Perez Ipiña, Emiliano; Ponce Dawson, Silvina

2017-02-01

During early development, the establishment of gradients of transcriptional factors determines the patterning of cell fates. The case of Bicoid (Bcd) in Drosophila melanogaster embryos is well documented and studied. There are still controversies as to whether SDD models in which Bcd is Synthesized at one end, then Diffuses and is Degraded can explain the gradient formation within the timescale observed experimentally. The Bcd gradient is observed in embryos that express a Bicoid-eGFP fusion protein (Bcd-GFP) which cannot differentiate if Bcd is freely diffusing or bound to immobile sites. In this work we analyze an SDID model that includes the Interaction of Bcd with binding sites. We simulate numerically the resulting full reaction-diffusion system in a cylindrical domain using previously determined biophysical parameters and a simplified version of the Bcd source. In this way we obtain solutions that depend on the spatial location approximately as observed experimentally and that reach such dependence at a time that is also compatible with the experimental observations. Analyzing the differences between the free and bound Bcd distributions we observe that the latter spans over a longer lengthscale. We conclude that deriving the lengthscale from the distribution of Bcd-GFP can lead to an overestimation of the gradient lengthscale and of the Hill coefficient that relates the concentrations of Bcd and of the protein, Hunchback, whose production is regulated by Bcd.

CITRATE 1.0: Phytoplankton continuous trait-distribution model with one-dimensional physical transport applied to the North Pacific

NASA Astrophysics Data System (ADS)

Chen, Bingzhang; Smith, Sherwood Lan

2018-02-01

Diversity plays critical roles in ecosystem functioning, but it remains challenging to model phytoplankton diversity in order to better understand those roles and reproduce consistently observed diversity patterns in the ocean. In contrast to the typical approach of resolving distinct species or functional groups, we present a ContInuous TRAiT-basEd phytoplankton model (CITRATE) that focuses on macroscopic system properties such as total biomass, mean trait values, and trait variance. This phytoplankton component is embedded within a nitrogen-phytoplankton-zooplankton-detritus-iron model that itself is coupled with a simplified one-dimensional ocean model. Size is used as the master trait for phytoplankton. CITRATE also incorporates trait diffusion for sustaining diversity and simple representations of physiological acclimation, i.e., flexible chlorophyll-to-carbon and nitrogen-to-carbon ratios. We have implemented CITRATE at two contrasting stations in the North Pacific where several years of observational data are available. The model is driven by physical forcing including vertical eddy diffusivity imported from three-dimensional general ocean circulation models (GCMs). One common set of model parameters for the two stations is optimized using the Delayed-Rejection Adaptive Metropolis-Hasting Monte Carlo (DRAM) algorithm. The model faithfully reproduces most of the observed patterns and gives robust predictions on phytoplankton mean size and size diversity. CITRATE is suitable for applications in GCMs and constitutes a prototype upon which more sophisticated continuous trait-based models can be developed.

Cochlear pharmacokinetics with local inner ear drug delivery using a three-dimensional finite-element computer model.

PubMed

Plontke, Stefan K; Siedow, Norbert; Wegener, Raimund; Zenner, Hans-Peter; Salt, Alec N

2007-01-01

Cochlear fluid pharmacokinetics can be better represented by three-dimensional (3D) finite-element simulations of drug dispersal. Local drug deliveries to the round window membrane are increasingly being used to treat inner ear disorders. Crucial to the development of safe therapies is knowledge of drug distribution in the inner ear with different delivery methods. Computer simulations allow application protocols and drug delivery systems to be evaluated, and may permit animal studies to be extrapolated to the larger cochlea of the human. A finite-element 3D model of the cochlea was constructed based on geometric dimensions of the guinea pig cochlea. Drug propagation along and between compartments was described by passive diffusion. To demonstrate the potential value of the model, methylprednisolone distribution in the cochlea was calculated for two clinically relevant application protocols using pharmacokinetic parameters derived from a prior one-dimensional (1D) model. In addition, a simplified geometry was used to compare results from 3D with 1D simulations. For the simplified geometry, calculated concentration profiles with distance were in excellent agreement between the 1D and the 3D models. Different drug delivery strategies produce very different concentration time courses, peak concentrations and basal-apical concentration gradients of drug. In addition, 3D computations demonstrate the existence of substantial gradients across the scalae in the basal turn. The 3D model clearly shows the presence of drug gradients across the basal scalae of guinea pigs, demonstrating the necessity of a 3D approach to predict drug movements across and between scalae with larger cross-sectional areas, such as the human, with accuracy. This is the first model to incorporate the volume of the spiral ligament and to calculate diffusion through this structure. Further development of the 3D model will have to incorporate a more accurate geometry of the entire inner ear and incorporate more of the specific processes that contribute to drug removal from the inner ear fluids. Appropriate computer models may assist in both drug and drug delivery system design and can thus accelerate the development of a rationale-based local drug delivery to the inner ear and its successful establishment in clinical practice. Copyright 2007 S. Karger AG, Basel.

Cochlear Pharmacokinetics with Local Inner Ear Drug Delivery Using a Three-Dimensional Finite-Element Computer Model

PubMed Central

Plontke, Stefan K.; Siedow, Norbert; Wegener, Raimund; Zenner, Hans-Peter; Salt, Alec N.

2006-01-01

Hypothesis: Cochlear fluid pharmacokinetics can be better represented by three-dimensional (3D) finite-element simulations of drug dispersal. Background: Local drug deliveries to the round window membrane are increasingly being used to treat inner ear disorders. Crucial to the development of safe therapies is knowledge of drug distribution in the inner ear with different delivery methods. Computer simulations allow application protocols and drug delivery systems to be evaluated, and may permit animal studies to be extrapolated to the larger cochlea of the human. Methods: A finite-element 3D model of the cochlea was constructed based on geometric dimensions of the guinea pig cochlea. Drug propagation along and between compartments was described by passive diffusion. To demonstrate the potential value of the model, methylprednisolone distribution in the cochlea was calculated for two clinically relevant application protocols using pharmacokinetic parameters derived from a prior one-dimensional (1D) model. In addition, a simplified geometry was used to compare results from 3D with 1D simulations. Results: For the simplified geometry, calculated concentration profiles with distance were in excellent agreement between the 1D and the 3D models. Different drug delivery strategies produce very different concentration time courses, peak concentrations and basal-apical concentration gradients of drug. In addition, 3D computations demonstrate the existence of substantial gradients across the scalae in the basal turn. Conclusion: The 3D model clearly shows the presence of drug gradients across the basal scalae of guinea pigs, demonstrating the necessity of a 3D approach to predict drug movements across and between scalae with larger cross-sectional areas, such as the human, with accuracy. This is the first model to incorporate the volume of the spiral ligament and to calculate diffusion through this structure. Further development of the 3D model will have to incorporate a more accurate geometry of the entire inner ear and incorporate more of the specific processes that contribute to drug removal from the inner ear fluids. Appropriate computer models may assist in both drug and drug delivery system design and can thus accelerate the development of a rationale-based local drug delivery to the inner ear and its successful establishment in clinical practice. PMID:17119332

Helical structure of the cardiac ventricular anatomy assessed by diffusion tensor magnetic resonance imaging with multiresolution tractography.

PubMed

Poveda, Ferran; Gil, Debora; Martí, Enric; Andaluz, Albert; Ballester, Manel; Carreras, Francesc

2013-10-01

Deeper understanding of the myocardial structure linking the morphology and function of the heart would unravel crucial knowledge for medical and surgical clinical procedures and studies. Several conceptual models of myocardial fiber organization have been proposed but the lack of an automatic and objective methodology prevented an agreement. We sought to deepen this knowledge through advanced computer graphical representations of the myocardial fiber architecture by diffusion tensor magnetic resonance imaging. We performed automatic tractography reconstruction of unsegmented diffusion tensor magnetic resonance imaging datasets of canine heart from the public database of the Johns Hopkins University. Full-scale tractographies have been built with 200 seeds and are composed by streamlines computed on the vector field of primary eigenvectors at the diffusion tensor volumes. We also introduced a novel multiscale visualization technique in order to obtain a simplified tractography. This methodology retains the main geometric features of the fiber tracts, making it easier to decipher the main properties of the architectural organization of the heart. Output analysis of our tractographic representations showed exact correlation with low-level details of myocardial architecture, but also with the more abstract conceptualization of a continuous helical ventricular myocardial fiber array. Objective analysis of myocardial architecture by an automated method, including the entire myocardium and using several 3-dimensional levels of complexity, reveals a continuous helical myocardial fiber arrangement of both right and left ventricles, supporting the anatomical model of the helical ventricular myocardial band described by F. Torrent-Guasp. Copyright © 2013 Sociedad Española de Cardiología. Published by Elsevier Espana. All rights reserved.

Confinement of the solar tachocline by a cyclic dynamo magnetic field

NASA Astrophysics Data System (ADS)

Barnabé, Roxane; Strugarek, Antoine; Charbonneau, Paul; Brun, Allan Sacha; Zahn, Jean-Paul

2017-05-01

Context. The surprising thinness of the solar tachocline is still not understood with certainty today. Among the numerous possible scenarios suggested to explain its radial confinement, one hypothesis is based on Maxwell stresses that are exerted by the cyclic dynamo magnetic field of the Sun penetrating over a skin depth below the turbulent convection zone. Aims: Our goal is to assess under which conditions (turbulence level in the tachocline, strength of the dynamo-generated field, spreading mechanism) this scenario can be realized in the solar tachocline. Methods: We develop a simplified 1D model of the upper tachocline under the influence of an oscillating magnetic field imposed from above. The turbulent transport is parametrized with enhanced turbulent diffusion (or anti-diffusion) coefficients. Two main processes that thicken the tachocline are considered; either turbulent viscous spreading or radiative spreading. An extensive parameter study is carried out to establish the physical parameter regimes under which magnetic confinement of the tachocline that is due to a surface dynamo field can be realized. Results: We have explored a large range of magnetic field amplitudes, viscosities, ohmic diffusivities and thermal diffusivities. We find that, for large but still realistic magnetic field strengths, the differential rotation can be suppressed in the upper radiative zone (and hence the tachocline confined) if weak turbulence is present (with an enhanced ohmic diffusivity of η> 107-8 cm2/ s), even in the presence of radiative spreading. Conclusions: Our results show that a dynamo magnetic field can, in the presence of weak turbulence, prevent the inward burrowing of a tachocline subject to viscous diffusion or radiative spreading.

Assessing trace element diffusion models in fossil and sub-fossil bone

NASA Astrophysics Data System (ADS)

Suarez, C. A.; Kohn, M. J.

2012-12-01

Three different diffusion models have been proposed to explain trace element uptake during fossilization of bone: diffusion-adsorption (DA), diffusion-recrystallization (DR), and double-medium diffusion (DMD). Theoretically, differences in trace element profiles, particularly the rare earth elements (REE) and U, can discriminate among these possibilities. In this study, we tested which model best explains natural samples by analyzing trace element profiles in natural bone using laser-ablation inductively-coupled plasma mass spectrometry (LA-ICP-MS). Fossil bones ranging in age from a few ka to over 100 Ma were analyzed along traverses from the outer cortical edge to the inner marrow cavity margin. Forty major, minor and trace elements were analyzed, notably Ca, P, transition metals, Sr, Ba, REE, U, Th and Pb. Spatial and analytical resolutions were ~10 μm and ~100 ppb respectively. Many specimens show commonly observed exponential decreases in REE from the outer edge and marrow cavity, with relatively homogeneous U distributions. Yet, most significantly, specimens from American Falls (last interglacial) and Duck Point (last glacial maximum) show distinctive U plateaus adjacent to the outer and inner cortical bone margins. Whereas exponential profiles can be produced by different uptake processes, such plateaus are diagnostic of a DR mechanism. Our work is consistent with recent investigation of trace element diffusivities in modern fresh and deproteinated bone. These studies show similar diffusion rates for REE and U, so the profound disparity in U vs. REE profiles in most fossils cannot result solely from differences in volume diffusion within the context of DA and DMD. Rather, as a recrystallization front propagates into bone, the bone appears to encode changing soil water compositions with earlier vs. later compositions reflected in the bone margin vs. interior. Soil water U concentrations apparently remain nearly fixed during fossilization, whereas REE are rapidly stripped from the surrounding matrix, leading to nearly homogeneous U vs. steep REE profiles. However in our Pleistocene bones (American Falls and Duck Point), changes to U concentrations on the bone margin reveal more complex changes to boundary compositions, and eliminate both DA and DMD (alone) as the dominant mechanisms of trace element uptake. Our work reconciles disparate zoning patterns observed in fossil bone, and simplifies interpretations of soil or sediment water chemistry, but complicates U-series dating of fossils.

Towards engineered branch placement: Unreal™ match between vapour-liquid-solid glancing angle deposition nanowire growth and simulation

NASA Astrophysics Data System (ADS)

Taschuk, M. T.; Tucker, R. T.; LaForge, J. M.; Beaudry, A. L.; Kupsta, M. R.; Brett, M. J.

2013-12-01

The vapour-liquid-solid glancing angle deposition (VLS-GLAD) process is capable of producing complex nanotree structures with control over azimuthal branch orientation and height. We have developed a thin film growth simulation including ballistic deposition, simplified surface diffusion, and droplet-mediated cubic crystal growth for the VLS-GLAD process using the UnrealTM Development Kit. The use of a commercial game engine has provided an interactive environment while allowing a custom physics implementation. Our simulation's output is verified against experimental data, including a volumetric film reconstruction produced using focused ion beam and scanning-electron microscopy (SEM), crystallographic texture, and morphological characteristics such as branch orientation. We achieve excellent morphological and texture agreement with experimental data, as well as qualitative agreement with SEM imagery. The simplified physics in our model reproduces the experimental films, indicating that the dominant role flux geometry plays in the VLS-GLAD competitive growth process responsible for azimuthally oriented branches and biaxial crystal texture evolution. The simulation's successful reproduction of experimental data indicates that it should have predictive power in designing novel VLS-GLAD structures.

Culinary practices mimicking a polysaccharide-rich recipe enhance the bioaccessibility of fat-soluble micronutrients.

PubMed

Dhuique-Mayer, Claudie; Servent, Adrien; Descalzo, Adriana; Mouquet-Rivier, Claire; Amiot, Marie-Josèphe; Achir, Nawel

2016-11-01

This study was carried out to assess the impact of heat processing of a complex emulsion on the behavior of fat soluble micronutrients (FSM) in a traditional Tunisian dish. A simplified recipe involved, dried mucilage-rich jute leaves, tomato paste and olive oil, followed by a cooking treatment (150min). Hydrothermal pattern and viscosity were monitored along with the changes of FSM content and the bioaccessibility (called micellarization, using an in vitro digestion model). Partitioning of carotenoids differed according to their lipophilicity: lycopene, β-carotene and lutein diffused to the oil phase (100%, 70% and 10% respectively). In contrast with the poor carotenes/tocopherol bioaccessibility (0.9-1%), the highest micellarization was observed for lutein (57%) and it increased with heating time and viscosity change. Domestic culinary cooking practices probably increase the bioavailability of carotenes mainly by their diffusion to the oil phase, facilitating their in vivo transfer into micelles. Copyright © 2016 Elsevier Ltd. All rights reserved.

Non-monotonic temperature dependence of chaos-assisted diffusion in driven periodic systems

NASA Astrophysics Data System (ADS)

Spiechowicz, J.; Talkner, P.; Hänggi, P.; Łuczka, J.

2016-12-01

The spreading of a cloud of independent Brownian particles typically proceeds more effectively at higher temperatures, as it derives from the commonly known Sutherland-Einstein relation for systems in thermal equilibrium. Here, we report on a non-equilibrium situation in which the diffusion of a periodically driven Brownian particle moving in a periodic potential decreases with increasing temperature within a finite temperature window. We identify as the cause for this non-intuitive behaviour a dominant deterministic mechanism consisting of a few unstable periodic orbits embedded into a chaotic attractor together with thermal noise-induced dynamical changes upon varying temperature. The presented analysis is based on extensive numerical simulations of the corresponding Langevin equation describing the studied setup as well as on a simplified stochastic model formulated in terms of a three-state Markovian process. Because chaos exists in many natural as well as in artificial systems representing abundant areas of contemporary knowledge, the described mechanism may potentially be discovered in plentiful different contexts.

Thermodynamics of Macromolecular Association in Heterogeneous Crowding Environments: Theoretical and Simulation Studies with a Simplified Model.

PubMed

Ando, Tadashi; Yu, Isseki; Feig, Michael; Sugita, Yuji

2016-11-23

The cytoplasm of a cell is crowded with many different kinds of macromolecules. The macromolecular crowding affects the thermodynamics and kinetics of biological reactions in a living cell, such as protein folding, association, and diffusion. Theoretical and simulation studies using simplified models focus on the essential features of the crowding effects and provide a basis for analyzing experimental data. In most of the previous studies on the crowding effects, a uniform crowder size is assumed, which is in contrast to the inhomogeneous size distribution of macromolecules in a living cell. Here, we evaluate the free energy changes upon macromolecular association in a cell-like inhomogeneous crowding system via a theory of hard-sphere fluids and free energy calculations using Brownian dynamics trajectories. The inhomogeneous crowding model based on 41 different types of macromolecules represented by spheres with different radii mimics the physiological concentrations of macromolecules in the cytoplasm of Mycoplasma genitalium. The free energy changes of macromolecular association evaluated by the theory and simulations were in good agreement with each other. The crowder size distribution affects both specific and nonspecific molecular associations, suggesting that not only the volume fraction but also the size distribution of macromolecules are important factors for evaluating in vivo crowding effects. This study relates in vitro experiments on macromolecular crowding to in vivo crowding effects by using the theory of hard-sphere fluids with crowder-size heterogeneity.

Modeling Fecal Indicator Bacteria Like Salt in Newport Bay

NASA Astrophysics Data System (ADS)

Ciglar, A. M.; Rippy, M.; Grant, S. B.

2015-12-01

Newport Bay is a harbor and estuary located in Orange County, CA that provides many water sports and recreational activities for millions of southern California residents and tourists. The aim of this study is to quickly assess exceedances of FIB in the Newport Bay which pose a health risk to recreational users. The ability to quickly assess water quality is made possible with an advection-diffusion mass transport model that uses easily measurable parameters such as volumetric flow rate from tributaries. Current FIB assessment methods for Newport Bay take a minimum of 24 hours to evaluate health risk by either culturing for FIB or running a more complex fluid dynamics model. By this time the FIB may have already reached the ocean outlet thus no longer posing a risk in the bay or recreationists may have already come in close contact with contaminated waters. The advection-diffusion model can process and disseminate health risk information within a few hours of flow rate measurements, minimizing time between an FIB exceedance and public awareness about the event. Data used to calibrate and validate the model was collected from January 2006 through February 2007. Salinity data was used for calibration and FIB data was used for validation. Both steady-state and transient conditions were assessed to determine if dry weather patterns can be simplified to the steady-state condition.

Creatinine generation from kinetic modeling with or without postdialysis serum creatinine measurement: results from the HEMO study.

PubMed

Daugirdas, John T; Depner, Thomas A

2017-11-01

A convenient method to estimate the creatinine generation rate and measures of creatinine clearance in hemodialysis patients using formal kinetic modeling and standard pre- and postdialysis blood samples has not been described. We used data from 366 dialysis sessions characterized during follow-up month 4 of the HEMO study, during which cross-dialyzer clearances for both urea and creatinine were available. Blood samples taken at 1 h into dialysis and 30 min and 60 min after dialysis were used to determine how well a two-pool kinetic model could predict creatinine concentrations and other kinetic parameters, including the creatinine generation rate. An extrarenal creatinine clearance of 0.038 l/kg/24 h was included in the model. Diffusive cross-dialyzer clearances of urea [230 (SD 37 mL/min] correlated well (R2 = 0.78) with creatinine clearances [164 (SD 30) mL/min]. When the effective diffusion volume flow rate was set at 0.791 times the blood flow rate for the cross-dialyzer clearance measurements at 1 h into dialysis, the mean calculated volume of creatinine distribution averaged 29.6 (SD 7.2) L], compared with 31.6 (SD 7.0) L for urea (P < 0.01). The modeled creatinine generation rate [1183 (SD 463) mg/day] averaged 100.1 % (SD 29; median 99.3) of that predicted in nondialysis patients by an anthropometric equation. A simplified method for modeling the creatinine generation rate using the urea distribution volume and urea dialyzer clearance without use of the postdialysis serum creatinine measurement gave results for creatinine generation rate [1187 (SD 475) mg/day; that closely matched the value calculated using the formally modeled value, R2 = 0.971]. Our analysis confirms previous findings of similar distribution volumes for creatinine and urea. After taking extra-renal clearance into consideration, the creatinine generation rate in dialysis patients is similar to that in nondialysis patients. A simplified method based on urea clearance and urea distribution volume not requiring a postdialysis serum creatinine measurement can be used to yield creatinine generation rates that closely match those determined from standard modeling. © The Author 2017. Published by Oxford University Press on behalf of ERA-EDTA. All rights reserved.

Autofluorescence and diffuse reflectance patterns in cervical spectroscopy

NASA Astrophysics Data System (ADS)

Marin, Nena Maribel

Fluorescence and diffuse reflectance spectroscopy are two new optical technologies, which have shown promise to aid in the real time, non-invasive identification of cancers and precancers. Spectral patterns carry a fingerprint of scattering, absorption and fluorescence properties in tissue. Scattering, absorption and fluorescence in tissue are directly affected by biological features that are diagnostically significant, such as nuclear size, micro-vessel density, volume fraction of collagen fibers, tissue oxygenation and cell metabolism. Thus, analysis of spectral patterns can unlock a wealth of information directly related with the onset and progression of disease. Data from a Phase II clinical trial to assess the technical efficacy of fluorescence and diffuse reflectance spectroscopy acquired from 850 women at three clinical locations with two research grade optical devices is calibrated and analyzed. Tools to process and standardize spectra so that data from multiple spectrometers can be combined and analyzed are presented. Methodologies for calibration and quality assurance of optical systems are established to simplify design issues and ensure validity of data for future clinical trials. Empirically based algorithms, using multivariate statistical approaches are applied to spectra and evaluated as a clinical diagnostic tool. Physically based algorithms, using mathematical models of light propagation in tissue are presented. The presented mathematical model combines a diffusion theory in P3 approximation reflectance model and a 2-layer fluorescence model using exponential attenuation and diffusion theory. The resulting adjoint fluorescence and reflectance model extracts twelve optical properties characterizing fluorescence efficiency of cervical epithelium and stroma fluorophores, stromal hemoglobin and collagen absorption, oxygen saturation, and stromal scattering strength and shape. Validations with Monte Carlo simulations show that adjoint model extracted optical properties of the epithelium and the stroma can be estimated accurately. Adjoint model is applied to 926 clinical measurements from 503 patients. Mean values of extracted optical properties have demonstrated to characterize the biological changes associated with dysplastic progression. Finally, penalized logistic regression algorithms are applied to discriminate dysplastic stages in tissue based on extracted optical features. This work provides understandable and interpretable information regarding predictive and generalization ability of optical spectroscopy in neoplastic changes using a minimum subset of optical measurements. Ultimately these methodologies would facilitate the transfer of these optical technologies into clinical practice.

A localized Richardson-Lucy algorithm for fiber orientation estimation in high angular resolution diffusion imaging.

PubMed

Liu, Xiaozheng; Yuan, Zhenming; Guo, Zhongwei; Xu, Dongrong

2015-05-01

Diffusion tensor imaging is widely used for studying neural fiber trajectories in white matter and for quantifying changes in tissue using diffusion properties at each voxel in the brain. To better model the nature of crossing fibers within complex architectures, rather than using a simplified tensor model that assumes only a single fiber direction at each image voxel, a model mixing multiple diffusion tensors is used to profile diffusion signals from high angular resolution diffusion imaging (HARDI) data. Based on the HARDI signal and a multiple tensors model, spherical deconvolution methods have been developed to overcome the limitations of the diffusion tensor model when resolving crossing fibers. The Richardson-Lucy algorithm is a popular spherical deconvolution method used in previous work. However, it is based on a Gaussian distribution, while HARDI data are always very noisy, and the distribution of HARDI data follows a Rician distribution. This current work aims to present a novel solution to address these issues. By simultaneously considering both the Rician bias and neighbor correlation in HARDI data, the authors propose a localized Richardson-Lucy (LRL) algorithm to estimate fiber orientations for HARDI data. The proposed method can simultaneously reduce noise and correct the Rician bias. Mean angular error (MAE) between the estimated Fiber orientation distribution (FOD) field and the reference FOD field was computed to examine whether the proposed LRL algorithm offered any advantage over the conventional RL algorithm at various levels of noise. Normalized mean squared error (NMSE) was also computed to measure the similarity between the true FOD field and the estimated FOD filed. For MAE comparisons, the proposed LRL approach obtained the best results in most of the cases at different levels of SNR and b-values. For NMSE comparisons, the proposed LRL approach obtained the best results in most of the cases at b-value = 3000 s/mm(2), which is the recommended schema for HARDI data acquisition. In addition, the FOD fields estimated by the proposed LRL approach in regions of fiber crossing regions using real data sets also showed similar fiber structures which agreed with common acknowledge in these regions. The novel spherical deconvolution method for improved accuracy in investigating crossing fibers can simultaneously reduce noise and correct Rician bias. With the noise smoothed and bias corrected, this algorithm is especially suitable for estimation of fiber orientations in HARDI data. Experimental results using both synthetic and real imaging data demonstrated the success and effectiveness of the proposed LRL algorithm.

Lithium manganese oxide spinel electrodes

NASA Astrophysics Data System (ADS)

Darling, Robert Mason

Batteries based oil intercalation eletrodes are currently being considered for a variety of applications including automobiles. This thesis is concerned with the simulation and experimental investigation of one such system: spinel LiyMn2O4. A mathematical model simulating the behavior of an electrochemical cell containing all intercalation electrode is developed and applied to Li yMn2O4 based systems. The influence of the exchange current density oil the propagation of the reaction through the depth of the electrode is examined theoretically. Galvanostatic cycling and relaxation phenomena on open circuit are simulated for different particle-size distributions. The electrode with uniformly sized particles shows the best performance when the current is on, and relaxes towards equilibrium most quickly. The impedance of a porous electrode containing a particle-size distribution at low frequencies is investigated with all analytic solution and a simplified version of the mathematical model. The presence of the particle-size distribution leads to an apparent diffusion coefficient which has all incorrect concentration dependence. A Li/1 M LiClO4 in propylene carbonate (PC)/ LiyMn 2O4 cell is used to investigate the influence of side reactions oil the current-potential behavior of intercalation electrodes. Slow cyclic voltammograms and self-discharge data are combined to estimate the reversible potential of the host material and the kinetic parameters for the side reaction. This information is then used, together with estimates of the solid-state diffusion coefficient and main-reaction exchange current density, in a mathematical model of the system. Predictions from the model compare favorably with continuous cycling results and galvanostatic experiments with periodic current interruptions. The variation with respect to composition of' the diffusion coefficient of lithium in LiyMn2O4 is estimated from incomplete galvanostatic discharges following open-circult periods. The results compared favorably with those available in the literature. Dynamic Monte Carlo simulations were conducted to investigate the concentration dependence of the diffusion coefficient fundamentally. The dynamic Monte Carlo predictions compare favorably with the experimental data.

Experimental and Numerical Analysis of Narrowband Coherent Rayleigh-Brillouin Scattering in Atomic and Molecular Species (Pre Print)

DTIC Science & Technology

2012-02-01

use of polar gas species. While current simplified models have adequately predicted CRS and CRBS line shapes for a wide variety of cases, multiple ...published simplified models are presented for argon, molecular nitrogen, and methane at 300 & 500 K and 1 atm. The simplified models require uncertain gas... models are presented for argon, molecular nitrogen, and methane at 300 & 500 K and 1 atm. The simplified models require uncertain gas properties

In vivo time-gated diffuse correlation spectroscopy at quasi-null source-detector separation.

PubMed

Pagliazzi, M; Sekar, S Konugolu Venkata; Di Sieno, L; Colombo, L; Durduran, T; Contini, D; Torricelli, A; Pifferi, A; Mora, A Dalla

2018-06-01

We demonstrate time domain diffuse correlation spectroscopy at quasi-null source-detector separation by using a fast time-gated single-photon avalanche diode without the need of time-tagging electronics. This approach allows for increased photon collection, simplified real-time instrumentation, and reduced probe dimensions. Depth discriminating, quasi-null distance measurement of blood flow in a human subject is presented. We envision the miniaturization and integration of matrices of optical sensors of increased spatial resolution and the enhancement of the contrast of local blood flow changes.

Technology's Impact on Faculty Life and Work.

ERIC Educational Resources Information Center

Baldwin, Roger G.

1998-01-01

Looks at the effects of advancing technology on academic life, using a simplified version of a scheme for examining diffusion of innovations. Attention is given to technology's impact on teaching, research and scholarship, and service and outreach functions, and on special challenges posed by technology, barriers to its use, and its implications…

Advanced control of liquid water region in diffusion media of polymer electrolyte fuel cells through a dimensionless number

NASA Astrophysics Data System (ADS)

Wang, Yun; Chen, Ken S.

2016-05-01

In the present work, a three-dimension (3-D) model of polymer electrolyte fuel cells (PEFCs) is employed to investigate the complex, non-isothermal, two-phase flow in the gas diffusion layer (GDL). Phase change in gas flow channels is explained, and a simplified approach accounting for phase change is incorporated into the fuel cell model. It is found that the liquid water contours in the GDL are similar along flow channels when the channels are subject to two-phase flow. Analysis is performed on a dimensionless parameter Da0 introduced in our previous paper [Y. Wang and K. S. Chen, Chemical Engineering Science 66 (2011) 3557-3567] and the parameter is further evaluated in a realistic fuel cell. We found that the GDL's liquid water (or liquid-free) region is determined by the Da0 number which lumps several parameters, including the thermal conductivity and operating temperature. By adjusting these factors, a liquid-free GDL zone can be created even though the channel stream is two-phase flow. Such a liquid-free zone is adjacent to the two-phase region, benefiting local water management, namely avoiding both severe flooding and dryness.

A temporal model of cofilin regulation and the early peak of actin barbed ends in invasive tumor cells.

PubMed

Tania, Nessy; Prosk, Erin; Condeelis, John; Edelstein-Keshet, Leah

2011-04-20

Cofilin is an important regulator of actin polymerization, cell migration, and chemotaxis. Recent experimental data on mammary carcinoma cells reveal that stimulation by epidermal growth factor (EGF) generates a pool of active cofilin that results in a peak of actin filament barbed ends on the timescale of 1 min. Here, we present results of a mathematical model for the dynamics of cofilin and its transition between several pools in response to EGF stimulation. We describe the interactions of phospholipase C, membrane lipids (PIP(2)), and cofilin bound to PIP(2) and to F-actin, as well as diffusible cofilin in active G-actin-monomer-bound or phosphorylated states. We consider a simplified representation in which the thin cell edge (lamellipod) and the cell interior are represented by two compartments that are linked by diffusion. We demonstrate that a high basal level of active cofilin stored by binding to PIP(2), as well as the highly enriched local milieu of F-actin at the cell edge, is essential to capture the EGF-induced barbed-end amplification observed experimentally. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Advanced control of liquid water region in diffusion media of polymer electrolyte fuel cells through a dimensionless number

DOE PAGES

Wang, Yun; Chen, Ken S.

2016-03-21

In the present study, a three-dimension (3-D) model of polymer electrolyte fuel cells (PEFCs) is employed to investigate the complex, non-isothermal, two-phase flow in the gas diffusion layer (GDL). Phase change in gas flow channels is explained, and a simplified approach accounting for phase change is incorporated into the fuel cell model. It is found that the liquid water contours in the GDL are similar along flow channels when the channels are subject to two-phase flow. Here, analysis is performed on a dimensionless parameter Da 0 introduced in our previous paper and the parameter is further evaluated in a realisticmore » fuel cell. We found that the GDL's liquid water (or liquid-free) region is determined by the Da 0 number which lumps several parameters, including the thermal conductivity and operating temperature. By adjusting these factors, a liquid-free GDL zone can be created even though the channel stream is two-phase flow. Such a liquid-free zone is adjacent to the two-phase region, benefiting local water management, namely avoiding both severe flooding and dryness.« less

Research on simplified parametric finite element model of automobile frontal crash

NASA Astrophysics Data System (ADS)

Wu, Linan; Zhang, Xin; Yang, Changhai

2018-05-01

The modeling method and key technologies of the automobile frontal crash simplified parametric finite element model is studied in this paper. By establishing the auto body topological structure, extracting and parameterizing the stiffness properties of substructures, choosing appropriate material models for substructures, the simplified parametric FE model of M6 car is built. The comparison of the results indicates that the simplified parametric FE model can accurately calculate the automobile crash responses and the deformation of the key substructures, and the simulation time is reduced from 6 hours to 2 minutes.

iGen: An automated generator of simplified models with provable error bounds.

NASA Astrophysics Data System (ADS)

Tang, D.; Dobbie, S.

2009-04-01

Climate models employ various simplifying assumptions and parameterisations in order to increase execution speed. However, in order to draw conclusions about the Earths climate from the results of a climate simulation it is necessary to have information about the error that these assumptions and parameterisations introduce. A novel computer program, called iGen, is being developed which automatically generates fast, simplified models by analysing the source code of a slower, high resolution model. The resulting simplified models have provable bounds on error compared to the high resolution model and execute at speeds that are typically orders of magnitude faster. iGen's input is a definition of the prognostic variables of the simplified model, a set of bounds on acceptable error and the source code of a model that captures the behaviour of interest. In the case of an atmospheric model, for example, this would be a global cloud resolving model with very high resolution. Although such a model would execute far too slowly to be used directly in a climate model, iGen never executes it. Instead, it converts the code of the resolving model into a mathematical expression which is then symbolically manipulated and approximated to form a simplified expression. This expression is then converted back into a computer program and output as a simplified model. iGen also derives and reports formal bounds on the error of the simplified model compared to the resolving model. These error bounds are always maintained below the user-specified acceptable error. Results will be presented illustrating the success of iGen's analysis of a number of example models. These extremely encouraging results have lead on to work which is currently underway to analyse a cloud resolving model and so produce an efficient parameterisation of moist convection with formally bounded error.

Mathematical analysis of frontal affinity chromatography in particle and membrane configurations.

PubMed

Tejeda-Mansir, A; Montesinos, R M; Guzmán, R

2001-10-30

The scaleup and optimization of large-scale affinity-chromatographic operations in the recovery, separation and purification of biochemical components is of major industrial importance. The development of mathematical models to describe affinity-chromatographic processes, and the use of these models in computer programs to predict column performance is an engineering approach that can help to attain these bioprocess engineering tasks successfully. Most affinity-chromatographic separations are operated in the frontal mode, using fixed-bed columns. Purely diffusive and perfusion particles and membrane-based affinity chromatography are among the main commercially available technologies for these separations. For a particular application, a basic understanding of the main similarities and differences between particle and membrane frontal affinity chromatography and how these characteristics are reflected in the transport models is of fundamental relevance. This review presents the basic theoretical considerations used in the development of particle and membrane affinity chromatography models that can be applied in the design and operation of large-scale affinity separations in fixed-bed columns. A transport model for column affinity chromatography that considers column dispersion, particle internal convection, external film resistance, finite kinetic rate, plus macropore and micropore resistances is analyzed as a framework for exploring further the mathematical analysis. Such models provide a general realistic description of almost all practical systems. Specific mathematical models that take into account geometric considerations and transport effects have been developed for both particle and membrane affinity chromatography systems. Some of the most common simplified models, based on linear driving-force (LDF) and equilibrium assumptions, are emphasized. Analytical solutions of the corresponding simplified dimensionless affinity models are presented. Particular methods for estimating the parameters that characterize the mass-transfer and adsorption mechanisms in affinity systems are described.

Numerical Modeling of Interstitial Fluid Flow Coupled with Blood Flow through a Remodeled Solid Tumor Microvascular Network

PubMed Central

Soltani, M.; Chen, P.

2013-01-01

Modeling of interstitial fluid flow involves processes such as fluid diffusion, convective transport in extracellular matrix, and extravasation from blood vessels. To date, majority of microvascular flow modeling has been done at different levels and scales mostly on simple tumor shapes with their capillaries. However, with our proposed numerical model, more complex and realistic tumor shapes and capillary networks can be studied. Both blood flow through a capillary network, which is induced by a solid tumor, and fluid flow in tumor’s surrounding tissue are formulated. First, governing equations of angiogenesis are implemented to specify the different domains for the network and interstitium. Then, governing equations for flow modeling are introduced for different domains. The conservation laws for mass and momentum (including continuity equation, Darcy’s law for tissue, and simplified Navier–Stokes equation for blood flow through capillaries) are used for simulating interstitial and intravascular flows and Starling’s law is used for closing this system of equations and coupling the intravascular and extravascular flows. This is the first study of flow modeling in solid tumors to naturalistically couple intravascular and extravascular flow through a network. This network is generated by sprouting angiogenesis and consisting of one parent vessel connected to the network while taking into account the non-continuous behavior of blood, adaptability of capillary diameter to hemodynamics and metabolic stimuli, non-Newtonian blood flow, and phase separation of blood flow in capillary bifurcation. The incorporation of the outlined components beyond the previous models provides a more realistic prediction of interstitial fluid flow pattern in solid tumors and surrounding tissues. Results predict higher interstitial pressure, almost two times, for realistic model compared to the simplified model. PMID:23840579

Modelling and testing the x-ray performance of CCD and CMOS APS detectors using numerical finite element simulations

NASA Astrophysics Data System (ADS)

Weatherill, Daniel P.; Stefanov, Konstantin D.; Greig, Thomas A.; Holland, Andrew D.

2014-07-01

Pixellated monolithic silicon detectors operated in a photon-counting regime are useful in spectroscopic imaging applications. Since a high energy incident photon may produce many excess free carriers upon absorption, both energy and spatial information can be recovered by resolving each interaction event. The performance of these devices in terms of both the energy and spatial resolution is in large part determined by the amount of diffusion which occurs during the collection of the charge cloud by the pixels. Past efforts to predict the X-ray performance of imaging sensors have used either analytical solutions to the diffusion equation or simplified monte carlo electron transport models. These methods are computationally attractive and highly useful but may be complemented using more physically detailed models based on TCAD simulations of the devices. Here we present initial results from a model which employs a full transient numerical solution of the classical semiconductor equations to model charge collection in device pixels under stimulation from initially Gaussian photogenerated charge clouds, using commercial TCAD software. Realistic device geometries and doping are included. By mapping the pixel response to different initial interaction positions and charge cloud sizes, the charge splitting behaviour of the model sensor under various illuminations and operating conditions is investigated. Experimental validation of the model is presented from an e2v CCD30-11 device under varying substrate bias, illuminated using an Fe-55 source.

A double-layer based model of ion confinement in electron cyclotron resonance ion source.

PubMed

Mascali, D; Neri, L; Celona, L; Castro, G; Torrisi, G; Gammino, S; Sorbello, G; Ciavola, G

2014-02-01

The paper proposes a new model of ion confinement in ECRIS, which can be easily generalized to any magnetic configuration characterized by closed magnetic surfaces. Traditionally, ion confinement in B-min configurations is ascribed to a negative potential dip due to superhot electrons, adiabatically confined by the magneto-static field. However, kinetic simulations including RF heating affected by cavity modes structures indicate that high energy electrons populate just a thin slab overlapping the ECR layer, while their density drops down of more than one order of magnitude outside. Ions, instead, diffuse across the electron layer due to their high collisionality. This is the proper physical condition to establish a double-layer (DL) configuration which self-consistently originates a potential barrier; this "barrier" confines the ions inside the plasma core surrounded by the ECR surface. The paper will describe a simplified ion confinement model based on plasma density non-homogeneity and DL formation.

Heat and Mass Transfer with Condensation in Capillary Porous Bodies

PubMed Central

2014-01-01

The purpose of this present work is related to wetting process analysis caused by condensation phenomena in capillary porous material by using a numerical simulation. Special emphasis is given to the study of the mechanism involved and the evaluation of classical theoretical models used as a predictive tool. A further discussion will be given for the distribution of the liquid phase for both its pendular and its funicular state and its consequence on diffusion coefficients of the mathematical model used. Beyond the complexity of the interaction effects between vaporisation-condensation processes on the gas-liquid interfaces, the comparison between experimental and numerical simulations permits to identify the specific contribution and the relative part of mass and energy transport parameters. This analysis allows us to understand the contribution of each part of the mathematical model used and to simplify the study. PMID:24688366

Diagnostic analysis of two-dimensional monthly average ozone balance with Chapman chemistry

NASA Technical Reports Server (NTRS)

Stolarski, Richard S.; Jackman, Charles H.; Kaye, Jack A.

1986-01-01

Chapman chemistry has been used in a two-dimensional model to simulate ozone balance phenomenology. The similarity between regions of ozone production and loss calculated using Chapman chemistry and those computed using LIMS and SAMS data with a photochemical equilibrium model indicate that such simplified chemistry is useful in studying gross features in stratospheric ozone balance. Net ozone production or loss rates are brought about by departures from the photochemical equilibrium (PCE) condition. If transport drives ozone above its PCE condition, then photochemical loss dominates production. If transport drives ozone below its PCE condition, then photochemical production dominates loss. Gross features of ozone loss/production (L/P) inferred for the real atmosphere from data are also simulated using only eddy diffusion. This indicates that one must be careful in assigning a transport scheme for a two-dimensional model that mimics only behavior of the observed ozone L/P.

Ionic transport in high-energy-density matter

DOE PAGES

Stanton, Liam G.; Murillo, Michael S.

2016-04-08

Ionic transport coefficients for dense plasmas have been numerically computed using an effective Boltzmann approach. Here, we developed a simplified effective potential approach that yields accurate fits for all of the relevant cross sections and collision integrals. These results have been validated with molecular-dynamics simulations for self-diffusion, interdiffusion, viscosity, and thermal conductivity. Molecular dynamics has also been used to examine the underlying assumptions of the Boltzmann approach through a categorization of behaviors of the velocity autocorrelation function in the Yukawa phase diagram. By using a velocity-dependent screening model, we examine the role of dynamical screening in transport. Implications of thesemore » results for Coulomb logarithm approaches are discussed.« less

Magnetization of Cloud Cores and Envelopes and Other Observational Consequences of Reconnection Diffusion

NASA Astrophysics Data System (ADS)

Lazarian, A.; Esquivel, A.; Crutcher, R.

2012-10-01

Recent observational results for magnetic fields in molecular clouds reviewed by Crutcher seem to be inconsistent with the predictions of the ambipolar diffusion theory of star formation. These include the measured decrease in mass to flux ratio between envelopes and cores, the failure to detect any self-gravitating magnetically subcritical clouds, the determination of the flat probability distribution function (PDF) of the total magnetic field strengths implying that there are many clouds with very weak magnetic fields, and the observed scaling Bvpropρ2/3 that implies gravitational contraction with weak magnetic fields. We consider the problem of magnetic field evolution in turbulent molecular clouds and discuss the process of magnetic field diffusion mediated by magnetic reconnection. For this process that we termed "reconnection diffusion," we provide a simple physical model and explain that this process is inevitable in view of the present-day understanding of MHD turbulence. We address the issue of the expected magnetization of cores and envelopes in the process of star formation and show that reconnection diffusion provides an efficient removal of magnetic flux that depends only on the properties of MHD turbulence in the core and the envelope. We show that as the amplitude of turbulence as well as the scale of turbulent motions decrease from the envelope to the core of the cloud, the diffusion of the magnetic field is faster in the envelope. As a result, the magnetic flux trapped during the collapse in the envelope is being released faster than the flux trapped in the core, resulting in much weaker fields in envelopes than in cores, as observed. We provide simple semi-analytical model calculations which support this conclusion and qualitatively agree with the observational results. Magnetic reconnection is also consistent with the lack of subcritical self-gravitating clouds, with the observed flat PDF of field strengths, and with the scaling of field strength with density. In addition, we demonstrate that the reconnection diffusion process can account for the empirical Larson relations and list a few other implications of the reconnection diffusion concept. We argue that magnetic reconnection provides a solution to the magnetic flux problem of star formation that agrees better with observations than the long-standing ambipolar diffusion paradigm. Due to the illustrative nature of our simplified model we do not seek quantitative agreement, but discuss the complementary nature of our approach to the three-dimensional MHD numerical simulations.

Air-sea fluxes of momentum and mass in the presence of wind waves

NASA Astrophysics Data System (ADS)

Zülicke, Christoph

2010-05-01

An air-sea interaction model (ASIM) is developed including the effect of wind waves on momentum and mass transfer. This includes the derivation of profiles of dissipation rate, flow speed and concentration from a certain height to a certain depth. Simplified assumptions on the turbulent closure, skin - bulk matching and the spectral wave model allow for an analytic treatment. Particular emphasis was put on the inclusion of primary (gravity) waves and secondary (capillary-gravity) waves. The model was tuned to match wall-flow theory and data on wave height and slope. Growing waves reduce the air-side turbulent stress and lead to an increasing drag coefficient. In the sea, breaking waves inject turbulent kinetic energy and accelerate the transfer. Cross-reference with data on wave-related momentum and energy flux, dissipation rate and transfer velocity was sufficient. The evaluation of ASIM allowed for the analytical calculation of bulk formulae for the wind-dependent gas transfer velocity including information on the air-side momentum transfer (drag coefficient) and the sea-side gas transfer (Dalton number). The following regimes have been identified: the smooth waveless regime with a transfer velocity proportional to (wind) × (diffusion)2-3, the primary wave regime with a wind speed dependence proportional to (wind)1-4 × (diffusion)1-2-(waveage)1-4 and the secondary wave regime including a more-than-linear wind speed dependence like (wind)15-8 × (diffusion)1-2 × (waveage)5-8. These findings complete the current understanding of air-sea interaction for medium winds between 2 and 20 m s^-1.

[Influence of trabecular microstructure modeling on finite element analysis of dental implant].

PubMed

Shen, M J; Wang, G G; Zhu, X H; Ding, X

2016-09-01

To analyze the influence of trabecular microstructure modeling on the biomechanical distribution of implant-bone interface with a three-dimensional finite element mandible model of trabecular structure. Dental implants were embeded in the mandibles of a beagle dog. After three months of the implant installation, the mandibles with dental implants were harvested and scaned by micro-CT and cone-beam CT. Two three-dimensional finite element mandible models, trabecular microstructure(precise model) and macrostructure(simplified model), were built. The values of stress and strain of implant-bone interface were calculated using the software of Ansys 14.0. Compared with the simplified model, the precise models' average values of the implant bone interface stress increased obviously and its maximum values did not change greatly. The maximum values of quivalent stress of the precise models were 80% and 110% of the simplified model and the average values were 170% and 290% of simplified model. The maximum and average values of equivalent strain of precise models were obviously decreased, and the maximum values of the equivalent effect strain were 17% and 26% of simplified model and the average ones were 21% and 16% of simplified model respectively. Stress and strain concentrations at implant-bone interface were obvious in the simplified model. However, the distributions of stress and strain were uniform in the precise model. The precise model has significant effect on the distribution of stress and strain at implant-bone interface.

The effect of shear flow on the rotational diffusivity of a single axisymmetric particle

NASA Astrophysics Data System (ADS)

Leahy, Brian; Koch, Donald; Cohen, Itai

2014-11-01

Colloidal suspensions of nonspherical particles abound in the world around us, from red blood cells in arteries to kaolinite discs in clay. Understanding the orientation dynamics of these particles is important for suspension rheology and particle self-assembly. However, even for the simplest case of dilute suspensions in simple shear flow, the orientation dynamics of Brownian nonspherical particles are poorly understood at large shear rates. Here, we analytically calculate the time-dependent orientation distributions of particles confined to the flow-gradient plane when the rotary diffusion is small but nonzero. For both startup and oscillatory shear flows, we find a coordinate change that maps the convection-diffusion equation to a simple diffusion equation with an enhanced diffusion constant, simplifying the orientation dynamics. For oscillatory shear, this enhanced diffusion drastically alters the quasi-steady orientation distributions. Our theory of the unsteady orientation dynamics provides an understanding of a nonspherical particle suspension's rheology for a large class of unsteady flows. For particles with aspect ratio 10 under oscillatory shear, the rotary diffusion and intrinsic viscosity vary with amplitude by a factor of ~ 40 and ~ 2 , respectively.

The model SIRANE for atmospheric urban pollutant dispersion; part I, presentation of the model

NASA Astrophysics Data System (ADS)

Soulhac, Lionel; Salizzoni, Pietro; Cierco, F.-X.; Perkins, Richard

2011-12-01

In order to control and manage urban air quality, public authorities require an integrated approach that incorporates direct measurements and modelling of mean pollutant concentrations. These have to be performed by means of operational modelling tools, that simulate the transport of pollutants within and above the urban canopy over a large number of streets. The operational models must be able to assess rapidly a large variety of situations and with limited computing resources. SIRANE is an operational urban dispersion model based on a simplified description of the urban geometry that adopts parametric relations for the pollutant transfer phenomena within and out of the urban canopy. The streets in a city district are modelled as a network of connected street segments. The flow within each street is driven by the component of the external wind parallel to the street, and the pollutant is assumed to be uniformly mixed within the street. The model contains three main mechanisms for transport in and out of a street: advection along the street axis, diffusion across the interface between the street and the overlying air flow and exchanges with other streets at street intersections. The dispersion of pollutants advected or diffused out of the streets is taken into account using a Gaussian plume model, with the standard deviations σ y and σ z parameterised by the similarity theory. The input data for the final model are the urban geometry, the meteorological parameters, the background concentration of pollutants advected into the model domain by the wind and the emissions within each street in the network.

Multiphysics modelling of the separation of suspended particles via frequency ramping of ultrasonic standing waves.

PubMed

Trujillo, Francisco J; Eberhardt, Sebastian; Möller, Dirk; Dual, Jurg; Knoerzer, Kai

2013-03-01

A model was developed to determine the local changes of concentration of particles and the formations of bands induced by a standing acoustic wave field subjected to a sawtooth frequency ramping pattern. The mass transport equation was modified to incorporate the effect of acoustic forces on the concentration of particles. This was achieved by balancing the forces acting on particles. The frequency ramping was implemented as a parametric sweep for the time harmonic frequency response in time steps of 0.1s. The physics phenomena of piezoelectricity, acoustic fields and diffusion of particles were coupled and solved in COMSOL Multiphysics™ (COMSOL AB, Stockholm, Sweden) following a three step approach. The first step solves the governing partial differential equations describing the acoustic field by assuming that the pressure field achieves a pseudo steady state. In the second step, the acoustic radiation force is calculated from the pressure field. The final step allows calculating the locally changing concentration of particles as a function of time by solving the modified equation of particle transport. The diffusivity was calculated as function of concentration following the Garg and Ruthven equation which describes the steep increase of diffusivity when the concentration approaches saturation. However, it was found that this steep increase creates numerical instabilities at high voltages (in the piezoelectricity equations) and high initial particle concentration. The model was simplified to a pseudo one-dimensional case due to computation power limitations. The predicted particle distribution calculated with the model is in good agreement with the experimental data as it follows accurately the movement of the bands in the centre of the chamber. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.

THE ROLE OF THE DIFFUSIVE PROTONS IN THE GAMMA-RAY EMISSION OF SUPERNOVA REMNANT RX J1713.7–3946—A TWO-ZONE MODEL

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

Zhang, Xiao; Chen, Yang

2016-04-10

RX J1713.7−3946 is a prototype in the γ-ray-bright supernova remnants (SNRs) and is in continuing debates on its hadronic versus leptonic origin of the γ-ray emission. We explore the role played by the diffusive relativistic protons that escape from the SNR shock wave in the γ-ray emission, apart from the high-energy particles’ emission from the inside of the SNR. In the scenario that the SNR shock propagates in a clumpy molecular cavity, we consider that the γ-ray emission from the inside of the SNR may arise either from the inverse Compton scattering or from the interaction between the trapped energetic protons and themore » shocked clumps. The dominant origin between them depends on the electron-to-proton number ratio. The diffusive protons that escaped from the shock wave during the expansion history can provide an outer hadronic γ-ray component by bombarding the surrounding dense matter. The broadband spectrum can be well explained by this two-zone model, in which the γ-ray emission from the inside governs the TeV band, while the outer emission component substantially contributes to the GeV γ-rays. The two-zone model can also explain the TeV γ-ray radial brightness profile that significantly stretches beyond the nonthermal X-ray-emitting region. In the calculation, we present a simplified algorithm for Li and Chen's “accumulative diffusion” model for escaping protons and apply the Markov Chain Monte Carlo method to constrain the physical parameters.« less

Frequency-domain optical tomographic image reconstruction algorithm with the simplified spherical harmonics (SP3) light propagation model.

PubMed

Kim, Hyun Keol; Montejo, Ludguier D; Jia, Jingfei; Hielscher, Andreas H

2017-06-01

We introduce here the finite volume formulation of the frequency-domain simplified spherical harmonics model with n -th order absorption coefficients (FD-SP N ) that approximates the frequency-domain equation of radiative transfer (FD-ERT). We then present the FD-SP N based reconstruction algorithm that recovers absorption and scattering coefficients in biological tissue. The FD-SP N model with 3 rd order absorption coefficient (i.e., FD-SP 3 ) is used as a forward model to solve the inverse problem. The FD-SP 3 is discretized with a node-centered finite volume scheme and solved with a restarted generalized minimum residual (GMRES) algorithm. The absorption and scattering coefficients are retrieved using a limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) algorithm. Finally, the forward and inverse algorithms are evaluated using numerical phantoms with optical properties and size that mimic small-volume tissue such as finger joints and small animals. The forward results show that the FD-SP 3 model approximates the FD-ERT (S 12 ) solution within relatively high accuracy; the average error in the phase (<3.7%) and the amplitude (<7.1%) of the partial current at the boundary are reported. From the inverse results we find that the absorption and scattering coefficient maps are more accurately reconstructed with the SP 3 model than those with the SP 1 model. Therefore, this work shows that the FD-SP 3 is an efficient model for optical tomographic imaging of small-volume media with non-diffuse properties both in terms of computational time and accuracy as it requires significantly lower CPU time than the FD-ERT (S 12 ) and also it is more accurate than the FD-SP 1 .

Upscaling transport of a reacting solute through a peridocially converging-diverging channel at pre-asymptotic times

NASA Astrophysics Data System (ADS)

Sund, Nicole L.; Bolster, Diogo; Dawson, Clint

2015-11-01

In this study we extend the Spatial Markov model, which has been successfully used to upscale conservative transport across a diverse range of porous media flows, to test if it can accurately upscale reactive transport, defined by a spatially heterogeneous first order degradation rate. We test the model in a well known highly simplified geometry, commonly considered as an idealized pore or fracture structure, a periodic channel with wavy boundaries. The edges of the flow domain have a layer through which there is no flow, but in which diffusion of a solute still occurs. Reactions are confined to this region. We demonstrate that the Spatial Markov model, an upscaled random walk model that enforces correlation between successive jumps, can reproduce breakthrough curves measured from microscale simulations that explicitly resolve all pertinent processes. We also demonstrate that a similar random walk model that does not enforce successive correlations is unable to reproduce all features of the measured breakthrough curves.

Implementation of two-phase tritium models for helium bubbles in HCLL breeding blanket modules

NASA Astrophysics Data System (ADS)

Fradera, J.; Sedano, L.; Mas de les Valls, E.; Batet, L.

2011-10-01

Tritium self-sufficiency requirement of future DT fusion reactors involves large helium production rates in the breeding blankets; this might impact on the conceptual design of diverse fusion power reactor units, such as Liquid Metal (LM) blankets. Low solubility, long residence-times and high production rates create the conditions for Helium nucleation, which could mean effective T sinks in LM channels. A model for helium nano-bubble formation and tritium conjugate transport phenomena in liquid Pb17.5Li and EUROFER is proposed. In a first approximation, it has been considered that He bubbles can be represented as a passive scalar. The nucleation model is based on the classical theory and includes a simplified bubble growth model. The model captures the interaction of tritium with bubbles and tritium diffusion through walls. Results show the influence of helium cavitation on tritium inventory and the importance of simulating the system walls instead of imposing fixed boundary conditions.

Intermixing in Cu/Ni multilayers induced by cold rolling

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

Wang, Z.; Perepezko, J. H., E-mail: perepezk@engr.wisc.edu; Larson, D.

2015-04-28

Repeated cold rolling was performed on multilayers of Cu60/Ni40 and Cu40/Ni60 foil arrays to study the details of driven atomic scale interfacial mixing. With increasing deformation, there is a significant layer refinement down to the nm level that leads to the formation of a solid solution phase from the elemental end members. Intriguingly, the composition of the solid solution is revealed by an oscillation in the composition profile across the multilayers, which is different from the smoothly varying profile due to thermally activated diffusion. During the reaction, Cu mixed into Ni preferentially compared to Ni mixing into Cu, which ismore » also in contrast to the thermal diffusion behavior. This is confirmed by observations from X-ray diffraction, electron energy loss spectrum and atom probe tomography. The diffusion coefficient induced by cold rolling is estimated as 1.7 × 10{sup −17} m{sup 2}/s, which cannot be attributed to any thermal effect. The effective temperature due to the deformation induced mixing is estimated as 1093 K and an intrinsic diffusivity d{sub b}, which quantifies the tendency towards equilibrium in the absence of thermal diffusion, is estimated as 6.38 × 10{sup −18} m{sup 2}/s. The fraction of the solid solution phase formed is illustrated by examining the layer thickness distribution and is described by using an error function representation. The evolution of mixing in the solid solution phase is described by a simplified sinusoid model, in which the amplitude decays with increased deformation level. The promoted diffusion coefficient could be related to the effective temperature concept, but the establishment of an oscillation in the composition profile is a characteristic behavior that develops due to deformation.« less

Pitch angle scattering of relativistic electrons from stationary magnetic waves: Continuous Markov process and quasilinear theory

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

Lemons, Don S.

2012-01-15

We develop a Markov process theory of charged particle scattering from stationary, transverse, magnetic waves. We examine approximations that lead to quasilinear theory, in particular the resonant diffusion approximation. We find that, when appropriate, the resonant diffusion approximation simplifies the result of the weak turbulence approximation without significant further restricting the regime of applicability. We also explore a theory generated by expanding drift and diffusion rates in terms of a presumed small correlation time. This small correlation time expansion leads to results valid for relatively small pitch angle and large wave energy density - a regime that may govern pitchmore » angle scattering of high-energy electrons into the geomagnetic loss cone.« less

Comparison between a typical and a simplified model for blast load-induced structural response

NASA Astrophysics Data System (ADS)

Abd-Elhamed, A.; Mahmoud, S.

2017-02-01

As explosive blasts continue to cause severe damage as well as victims in both civil and military environments. There is a bad need for understanding the behavior of structural elements to such extremely short duration dynamic loads where it is of great concern nowadays. Due to the complexity of the typical blast pressure profile model and in order to reduce the modelling and computational efforts, the simplified triangle model for blast loads profile is used to analyze structural response. This simplified model considers only the positive phase and ignores the suction phase which characterizes the typical one in simulating blast loads. The closed from solution for the equation of motion under blast load as a forcing term modelled either typical or simplified models has been derived. The considered herein two approaches have been compared using the obtained results from simulation response analysis of a building structure under an applied blast load. The computed error in simulating response using the simplified model with respect to the typical one has been computed. In general, both simplified and typical models can perform the dynamic blast-load induced response of building structures. However, the simplified one shows a remarkably different response behavior as compared to the typical one despite its simplicity and the use of only positive phase for simulating the explosive loads. The prediction of the dynamic system responses using the simplified model is not satisfactory due to the obtained larger errors as compared to the system responses obtained using the typical one.

Order Matters: Sequencing Scale-Realistic Versus Simplified Models to Improve Science Learning

NASA Astrophysics Data System (ADS)

Chen, Chen; Schneps, Matthew H.; Sonnert, Gerhard

2016-10-01

Teachers choosing between different models to facilitate students' understanding of an abstract system must decide whether to adopt a model that is simplified and striking or one that is realistic and complex. Only recently have instructional technologies enabled teachers and learners to change presentations swiftly and to provide for learning based on multiple models, thus giving rise to questions about the order of presentation. Using disjoint individual growth modeling to examine the learning of astronomical concepts using a simulation of the solar system on tablets for 152 high school students (age 15), the authors detect both a model effect and an order effect in the use of the Orrery, a simplified model that exaggerates the scale relationships, and the True-to-scale, a proportional model that more accurately represents the realistic scale relationships. Specifically, earlier exposure to the simplified model resulted in diminution of the conceptual gain from the subsequent realistic model, but the realistic model did not impede learning from the following simplified model.

Processes and time scales of magmatic evolution as revealed by Fe-Mg chemical and isotopic zoning in natural olivines

NASA Astrophysics Data System (ADS)

Oeser, Martin; Dohmen, Ralf; Horn, Ingo; Schuth, Stephan; Weyer, Stefan

2015-04-01

In this study, we applied high-precision in situ Fe and Mg isotope analyses by femtosecond laser ablation (fs-LA) MC-ICP-MS on chemically zoned olivine xeno- and phenocrysts from intra-plate volcanic regions in order to investigate the magnitude of Fe and Mg isotope fractionation and its suitability to gain information on magma evolution. Our results show that chemical zoning (i.e., Mg#) in magmatic olivines is commonly associated with significant zoning in δ56Fe and δ26Mg (up to 1.7‰ and 0.7‰, respectively). We explored different cases of kinetic fractionation of Fe and Mg isotopes by modeling diffusion in the melt or olivine and simultaneous growth or dissolution. Combining the information of chemical and isotopic zoning in olivine allows to distinguish between various processes that may occur during magma evolution, namely diffusive Fe-Mg exchange between olivine and melt, rapid crystal growth, and Fe-Mg inter-diffusion simultaneous to crystal dissolution or growth. Chemical diffusion in olivine appears to be the dominant process that drives isotope fractionation in magmatic olivine. Simplified modeling of Fe and Mg diffusion is suitable to reproduce both the chemical and the isotopic zoning in most of the investigated olivines and, additionally, provides time information about magmatic processes. For the Massif Central (France), modeling of diffusive re-equilibration of mantle olivines in basanites revealed a short time span (<2 years) between the entrainment of a mantle xenolith in an intra-plate basaltic magma and the eruption of the magma. Furthermore, we determined high cooling rates (on the order of a few tens to hundreds of °C per year) for basanite samples from a single large outcrop in the Massif Central, which probably reflects the cooling of a massive lava flow after eruption. Results from the modeling of Fe and Mg isotope fractionation in olivine point to a systematic difference between βFe and βMg (i.e., βFe/βMg ≈ 2), implying that the diffusivity ratio of 54Fe and 56Fe (i.e., D54Fe/D56Fe) is very similar to that of 24Mg and 26Mg, despite the smaller relative mass difference for the 54Fe-56Fe pair. This study demonstrates that a combined investigation of Fe-Mg chemical and isotopic zoning in olivine provides additional and more reliable information on magma evolution than chemical zoning alone.

Systematic spatial bias in DNA microarray hybridization is caused by probe spot position-dependent variability in lateral diffusion.

PubMed

Steger, Doris; Berry, David; Haider, Susanne; Horn, Matthias; Wagner, Michael; Stocker, Roman; Loy, Alexander

2011-01-01

The hybridization of nucleic acid targets with surface-immobilized probes is a widely used assay for the parallel detection of multiple targets in medical and biological research. Despite its widespread application, DNA microarray technology still suffers from several biases and lack of reproducibility, stemming in part from an incomplete understanding of the processes governing surface hybridization. In particular, non-random spatial variations within individual microarray hybridizations are often observed, but the mechanisms underpinning this positional bias remain incompletely explained. This study identifies and rationalizes a systematic spatial bias in the intensity of surface hybridization, characterized by markedly increased signal intensity of spots located at the boundaries of the spotted areas of the microarray slide. Combining observations from a simplified single-probe block array format with predictions from a mathematical model, the mechanism responsible for this bias is found to be a position-dependent variation in lateral diffusion of target molecules. Numerical simulations reveal a strong influence of microarray well geometry on the spatial bias. Reciprocal adjustment of the size of the microarray hybridization chamber to the area of surface-bound probes is a simple and effective measure to minimize or eliminate the diffusion-based bias, resulting in increased uniformity and accuracy of quantitative DNA microarray hybridization.

Systematic Spatial Bias in DNA Microarray Hybridization Is Caused by Probe Spot Position-Dependent Variability in Lateral Diffusion

PubMed Central

Haider, Susanne; Horn, Matthias; Wagner, Michael; Stocker, Roman; Loy, Alexander

2011-01-01

Background The hybridization of nucleic acid targets with surface-immobilized probes is a widely used assay for the parallel detection of multiple targets in medical and biological research. Despite its widespread application, DNA microarray technology still suffers from several biases and lack of reproducibility, stemming in part from an incomplete understanding of the processes governing surface hybridization. In particular, non-random spatial variations within individual microarray hybridizations are often observed, but the mechanisms underpinning this positional bias remain incompletely explained. Methodology/Principal Findings This study identifies and rationalizes a systematic spatial bias in the intensity of surface hybridization, characterized by markedly increased signal intensity of spots located at the boundaries of the spotted areas of the microarray slide. Combining observations from a simplified single-probe block array format with predictions from a mathematical model, the mechanism responsible for this bias is found to be a position-dependent variation in lateral diffusion of target molecules. Numerical simulations reveal a strong influence of microarray well geometry on the spatial bias. Conclusions Reciprocal adjustment of the size of the microarray hybridization chamber to the area of surface-bound probes is a simple and effective measure to minimize or eliminate the diffusion-based bias, resulting in increased uniformity and accuracy of quantitative DNA microarray hybridization. PMID:21858215

Laser-assisted ignition and combustion characteristics of consolidated aluminum nanoparticles

NASA Astrophysics Data System (ADS)

Saceleanu, Florin; Wen, John Z.; Idir, Mahmoud; Chaumeix, Nabiha

2016-11-01

Aluminum (Al) nanoparticles have drawn much attention due to their high energy density and tunable ignition properties. In comparison with their micronscale counterpart, Al nanoparticles possess large specific surface area and low apparent activation energy of combustion, which reduce ignition delay significantly. In this paper, ignition and subsequently burning of consolidated Al nanoparticle pellets are performed via a continuous wave (CW) argon laser in a closed spherical chamber filled with oxygen. Pellets are fabricated using two types of nanoparticle sizes of 40-60 and 60-80 nm, respectively. A photodiode is used to measure the ignition delay, while a digital camera captures the location of the flame front. It is found that for the 40-60-nm nanoparticle pellets, ignition delay reduces with increasing the oxygen pressure or using the higher laser power. Analysis of the flame propagation rate suggests that oxygen diffusion is an important mechanism during burning of these porous nanoparticle pellets. The combustion characteristics of the Al pellets are compared to a simplified model of the diffusion-controlled oxidation mechanism. While experimental measurements of pellets of 40-60 nm Al particles agree with the computed diffusion-limiting mechanism, a shifted behavior is observed from the pellets of 60-80 nm Al particles, largely due to the inhomogeneity of their porous structures.

Simplified models for dark matter searches at the LHC

NASA Astrophysics Data System (ADS)

Abdallah, Jalal; Araujo, Henrique; Arbey, Alexandre; Ashkenazi, Adi; Belyaev, Alexander; Berger, Joshua; Boehm, Celine; Boveia, Antonio; Brennan, Amelia; Brooke, Jim; Buchmueller, Oliver; Buckley, Matthew; Busoni, Giorgio; Calibbi, Lorenzo; Chauhan, Sushil; Daci, Nadir; Davies, Gavin; De Bruyn, Isabelle; De Jong, Paul; De Roeck, Albert; de Vries, Kees; Del Re, Daniele; De Simone, Andrea; Di Simone, Andrea; Doglioni, Caterina; Dolan, Matthew; Dreiner, Herbi K.; Ellis, John; Eno, Sarah; Etzion, Erez; Fairbairn, Malcolm; Feldstein, Brian; Flaecher, Henning; Feng, Eric; Fox, Patrick; Genest, Marie-Hélène; Gouskos, Loukas; Gramling, Johanna; Haisch, Ulrich; Harnik, Roni; Hibbs, Anthony; Hoh, Siewyan; Hopkins, Walter; Ippolito, Valerio; Jacques, Thomas; Kahlhoefer, Felix; Khoze, Valentin V.; Kirk, Russell; Korn, Andreas; Kotov, Khristian; Kunori, Shuichi; Landsberg, Greg; Liem, Sebastian; Lin, Tongyan; Lowette, Steven; Lucas, Robyn; Malgeri, Luca; Malik, Sarah; McCabe, Christopher; Mete, Alaettin Serhan; Morgante, Enrico; Mrenna, Stephen; Nakahama, Yu; Newbold, Dave; Nordstrom, Karl; Pani, Priscilla; Papucci, Michele; Pataraia, Sophio; Penning, Bjoern; Pinna, Deborah; Polesello, Giacomo; Racco, Davide; Re, Emanuele; Riotto, Antonio Walter; Rizzo, Thomas; Salek, David; Sarkar, Subir; Schramm, Steven; Skubic, Patrick; Slone, Oren; Smirnov, Juri; Soreq, Yotam; Sumner, Timothy; Tait, Tim M. P.; Thomas, Marc; Tomalin, Ian; Tunnell, Christopher; Vichi, Alessandro; Volansky, Tomer; Weiner, Neal; West, Stephen M.; Wielers, Monika; Worm, Steven; Yavin, Itay; Zaldivar, Bryan; Zhou, Ning; Zurek, Kathryn

2015-09-01

This document outlines a set of simplified models for dark matter and its interactions with Standard Model particles. It is intended to summarize the main characteristics that these simplified models have when applied to dark matter searches at the LHC, and to provide a number of useful expressions for reference. The list of models includes both ss-channel and tt-channel scenarios. For ss-channel, spin-0 and spin-1 mediations are discussed, and also realizations where the Higgs particle provides a portal between the dark and visible sectors. The guiding principles underpinning the proposed simplified models are spelled out, and some suggestions for implementation are presented.

The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement

DOE PAGES

Hua, Zilong; Ban, Heng; Hurley, David H.

2015-05-05

A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag – (frequency) 1/2 relation. The experimental validation is performed on three samples (SiO 2, CaF 2 andmore » Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with literature values. Lastly, compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method.« less

The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement

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

Hua, Zilong; Ban, Heng; Hurley, David H.

A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag – (frequency) 1/2 relation. The experimental validation is performed on three samples (SiO 2, CaF 2 andmore » Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with literature values. Lastly, compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method.« less

Application of a Simplified Method for Estimating Perfusion Derived from Diffusion-Weighted MR Imaging in Glioma Grading.

PubMed

Cao, Mengqiu; Suo, Shiteng; Han, Xu; Jin, Ke; Sun, Yawen; Wang, Yao; Ding, Weina; Qu, Jianxun; Zhang, Xiaohua; Zhou, Yan

2017-01-01

Purpose : To evaluate the feasibility of a simplified method based on diffusion-weighted imaging (DWI) acquired with three b -values to measure tissue perfusion linked to microcirculation, to validate it against from perfusion-related parameters derived from intravoxel incoherent motion (IVIM) and dynamic contrast-enhanced (DCE) magnetic resonance (MR) imaging, and to investigate its utility to differentiate low- from high-grade gliomas. Materials and Methods : The prospective study was approved by the local institutional review board and written informed consent was obtained from all patients. From May 2016 and May 2017, 50 patients confirmed with glioma were assessed with multi- b -value DWI and DCE MR imaging at 3.0 T. Besides conventional apparent diffusion coefficient (ADC 0,1000 ) map, perfusion-related parametric maps for IVIM-derived perfusion fraction ( f ) and pseudodiffusion coefficient (D*), DCE MR imaging-derived pharmacokinetic metrics, including K trans , v e and v p , as well as a metric named simplified perfusion fraction (SPF), were generated. Correlation between perfusion-related parameters was analyzed by using the Spearman rank correlation. All imaging parameters were compared between the low-grade ( n = 19) and high-grade ( n = 31) groups by using the Mann-Whitney U test. The diagnostic performance for tumor grading was evaluated with receiver operating characteristic (ROC) analysis. Results : SPF showed strong correlation with IVIM-derived f and D* ( ρ = 0.732 and 0.716, respectively; both P < 0.001). Compared with f , SPF was more correlated with DCE MR imaging-derived K trans ( ρ = 0.607; P < 0.001) and v p ( ρ = 0.397; P = 0.004). Among all parameters, SPF achieved the highest accuracy for differentiating low- from high-grade gliomas, with an area under the ROC curve value of 0.942, which was significantly higher than that of ADC 0,1000 ( P = 0.004). By using SPF as a discriminative index, the diagnostic sensitivity and specificity were 87.1% and 94.7%, respectively, at the optimal cut-off value of 19.26%. Conclusion : The simplified method to measure tissue perfusion based on DWI by using three b -values may be helpful to differentiate low- from high-grade gliomas. SPF may serve as a valuable alternative to measure tumor perfusion in gliomas in a noninvasive, convenient and efficient way.

Two-stage bulk electron heating in the diffusion region of anti-parallel symmetric reconnection

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

Le, Ari Yitzchak; Egedal, Jan; Daughton, William Scott

2016-10-13

Electron bulk energization in the diffusion region during anti-parallel symmetric reconnection entails two stages. First, the inflowing electrons are adiabatically trapped and energized by an ambipolar parallel electric field. Next, the electrons gain energy from the reconnection electric field as they undergo meandering motion. These collisionless mechanisms have been described previously, and they lead to highly structured electron velocity distributions. Furthermore, a simplified control-volume analysis gives estimates for how the net effective heating scales with the upstream plasma conditions in agreement with fully kinetic simulations and spacecraft observations.

A control-volume method for analysis of unsteady thrust augmenting ejector flows

NASA Technical Reports Server (NTRS)

Drummond, Colin K.

1988-01-01

A method for predicting transient thrust augmenting ejector characteristics is presented. The analysis blends classic self-similar turbulent jet descriptions with a control volume mixing region discretization to solicit transient effects in a new way. Division of the ejector into an inlet, diffuser, and mixing region corresponds with the assumption of viscous-dominated phenomenon in the latter. Inlet and diffuser analyses are simplified by a quasi-steady analysis, justified by the assumptions that pressure is the forcing function in those regions. Details of the theoretical foundation, the solution algorithm, and sample calculations are given.

Measuring the diffusion of linguistic change

PubMed Central

Nerbonne, John

2010-01-01

We examine situations in which linguistic changes have probably been propagated via normal contact as opposed to via conquest, recent settlement and large-scale migration. We proceed then from two simplifying assumptions: first, that all linguistic variation is the result of either diffusion or independent innovation, and, second, that we may operationalize social contact as geographical distance. It is clear that both of these assumptions are imperfect, but they allow us to examine diffusion via the distribution of linguistic variation as a function of geographical distance. Several studies in quantitative linguistics have examined this relation, starting with Séguy (Séguy 1971 Rev. Linguist. Romane 35, 335–357), and virtually all report a sublinear growth in aggregate linguistic variation as a function of geographical distance. The literature from dialectology and historical linguistics has mostly traced the diffusion of individual features, however, so that it is sensible to ask what sort of dynamic in the diffusion of individual features is compatible with Séguy's curve. We examine some simulations of diffusion in an effort to shed light on this question. PMID:21041207

Experimental and computational data from a small rocket exhaust diffuser

NASA Astrophysics Data System (ADS)

Stephens, Samuel E.

1993-06-01

The Diagnostics Testbed Facility (DTF) at the NASA Stennis Space Center in Mississippi is a versatile facility that is used primarily to aid in the development of nonintrusive diagnostics for liquid rocket engine testing. The DTF consists of a fixed, 1200 lbf thrust, pressure fed, liquid oxygen/gaseous hydrogen rocket engine, and associated support systems. An exhaust diffuser has been fabricated and installed to provide subatmospheric pressures at the exit of the engine. The diffuser aerodynamic design was calculated prior to fabrication using the PARC Navier-Stokes computational fluid dynamics code. The diffuser was then fabricated and tested at the DTF. Experimental data from these tests were acquired to determine the operational characteristics of the system and to correlate the actual and predicted flow fields. The results show that a good engineering approximation of overall diffuser performance can be made using the PARC Navier-Stokes code and a simplified geometry. Correlations between actual and predicted cell pressure and initial plume expansion in the diffuser are good; however, the wall pressure profiles do not correlate as well with the experimental data.

Measuring the diffusion of linguistic change.

PubMed

Nerbonne, John

2010-12-12

We examine situations in which linguistic changes have probably been propagated via normal contact as opposed to via conquest, recent settlement and large-scale migration. We proceed then from two simplifying assumptions: first, that all linguistic variation is the result of either diffusion or independent innovation, and, second, that we may operationalize social contact as geographical distance. It is clear that both of these assumptions are imperfect, but they allow us to examine diffusion via the distribution of linguistic variation as a function of geographical distance. Several studies in quantitative linguistics have examined this relation, starting with Séguy (Séguy 1971 Rev. Linguist. Romane 35, 335-357), and virtually all report a sublinear growth in aggregate linguistic variation as a function of geographical distance. The literature from dialectology and historical linguistics has mostly traced the diffusion of individual features, however, so that it is sensible to ask what sort of dynamic in the diffusion of individual features is compatible with Séguy's curve. We examine some simulations of diffusion in an effort to shed light on this question.

A novel physical eco-hydrological model concept for preferential flow based on experimental applications.

NASA Astrophysics Data System (ADS)

Jackisch, Conrad; van Schaik, Loes; Graeff, Thomas; Zehe, Erwin

2014-05-01

Preferential flow through macropores often determines hydrological characteristics - especially regarding runoff generation and fast transport of solutes. Macropore settings may yet be very different in nature and dynamics, depending on their origin. While biogenic structures follow activity cycles (e.g. earth worms) and population conditions (e.g. roots), pedogenic and geogenic structures may depend on water stress (e.g. cracks) or large events (e.g. flushed voids between skeleton and soil pipes) or simply persist (e.g. bedrock interface). On the one hand, such dynamic site characteristics can be observed in seasonal changes in its reaction to precipitation. On the other hand, sprinkling experiments accompanied by tracers or time-lapse 3D Ground-Penetrating-Radar are suitable tools to determine infiltration patterns and macropore configuration. However, model representation of the macropore-matrix system is still problematic, because models either rely on effective parameters (assuming well-mixed state) or on explicit advection strongly simplifying or neglecting interaction with the diffusive flow domain. Motivated by the dynamic nature of macropores, we present a novel model approach for interacting diffusive and advective water, solutes and energy transport in structured soils. It solely relies on scale- and process-aware observables. A representative set of macropores (data from sprinkling experiments) determines the process model scale through 1D advective domains. These are connected to a 2D matrix domain which is defined by pedo-physical retention properties. Water is represented as particles. Diffusive flow is governed by a 2D random walk of these particles while advection may take place in the macropore domain. Macropore-matrix interaction is computed as dissipation of the advective momentum of a particle by its experienced drag from the matrix domain. Through a representation of matrix and macropores as connected diffusive and advective domains for water transport we open up double domain concepts linking porescale physics to preferential macroscale fingerprints without effective parameterisation or mixing assumptions. Moreover, solute transport, energy balance aspects and lateral heterogeneity in soil moisture distribution are intrinsically captured. In addition, macropore and matrix domain settings may change over time based on physical and stochastic observations. The representativity concept allows scaleability from plotscale to the lower mesoscale.

Properties of grains derived from IRAS observations of dust

NASA Technical Reports Server (NTRS)

Wesselius, P. R.; Chlewicki, Grzegorz; Laureijs, Rene J.

1989-01-01

The authors used the results of Infrared Astronomy Satellite (IRAS) observations of diffuse medium dust to develop a theoretical model of the infrared properties of grains. Recent models based entirely on traditional observations of extinction and polarization include only particles whose equilibrium temperatures do not exceed 20 K in the diffuse interstellar medium. These classical grains, for which the authors have adopted the multipopulation model developed by Hong and Greenberg (1980), can explain only the emission in the IRAS 100 micron band. The measurements at shorter wavelengths (12, 25 and 60 microns) require two new particle populations. Vibrational fluorescence from aromatic molecules provides the most likely explanation for the emission observed at 12 microns, with polycyclic aeromatic hydrocarbons (PAHs) containing about 10 percent of cosmic carbon. A simplified model of the emission process shows that PAH molecules can also explain most of the emission measured by IRAS at 25 microns. The authors identified the warm particles responsible for the excess 60 microns emission with small (a approx. equals 0.01 microns) iron grains. A compilation of the available data on the optical properties of iron indicates that the diffuse medium temperature of small iron particles should be close to 50 K and implies that a large, possibly dominant, fraction of cosmic iron must be locked up in metallic particles in order to match the observed 60 microns intensities. The model matches the infrared fluxes typically observed by IRAS in the diffuse medium and can also reproduce the infrared surface brightness distribution in individual clouds. In particular, the combination of iron and classical cool grains can explain the surprising observations of the 60/100 microns flux ratio in clouds, which is either constant or increases slightly towards higher opacities. The presence of metallic grains has significant implications for the physics of the interstellar medium, including catalytic H2 formation, for which iron grains could be the main site; differences in depletion patterns between iron and other refractory elements (Mg, Si); and superparamagnetic behavior of large grains with embedded iron clusters giving rise to the observed high degree of alignment by the galactic magnetic field.

Capacity and Delay Spread in Multilayer Diffusion-Based Molecular Communication (DBMC) Channel.

PubMed

Md Mustam, Saizalmursidi; Syed-Yusof, Sharifah K; Zubair, Suleiman

2016-10-01

In nanoscale communication, diffusion-based molecular communication (DBMC) in which information is encoded into molecule patterns by a transmitter nanomachine, has emerged as a promising communication system, particularly for biomedical and healthcare applications. Although, numerous studies have been conducted to evaluate and analyze DBMC systems, investigation on DBMC system through a multilayer channel has received less attention. The aims of this paper are to formulate channel characteristics and to evaluate the performance of multilayer DBMC channel in terms of delay spread and capacity. In this paper, the propagation of molecules over an n- layer channel is assumed to follow the Brownian motion and subjected to Fick's law of diffusion. Fourier transform is used to convert time to frequency domain functions. Besides, the multilayer channel is considered as a linear and deterministic channel. For the performance evaluation, the air-water-blood plasma medium representing the simplified multilayer diffusion model in the respiratory system was chosen. It was found that a high channel capacity can be achieved with wide transmission bandwidth, short transmission distance, and high averaged transmitted power. In addition, the findings showed that channel delay spread increases as both the transmission distance, and the pulse duration increased. By setting the symbol duration greater than the pulse duration or delay spread, an inter-symbol interference problem due to previous molecules transmission can be mitigated. These findings can be used as a guide in the development and fabrication of future artificial nanocommunication and nanonetworks systems involving multilayer transmission medium.

Zonal flow evolution and overstability in accretion discs

NASA Astrophysics Data System (ADS)

Vanon, R.; Ogilvie, G. I.

2017-04-01

This work presents a linear analytical calculation on the stability and evolution of a compressible, viscous self-gravitating (SG) Keplerian disc with both horizontal thermal diffusion and a constant cooling time-scale when an axisymmetric structure is present and freely evolving. The calculation makes use of the shearing sheet model and is carried out for a range of cooling times. Although the solutions to the inviscid problem with no cooling or diffusion are well known, it is non-trivial to predict the effect caused by the introduction of cooling and of small diffusivities; this work focuses on perturbations of intermediate wavelengths, therefore representing an extension to the classical stability analysis on thermal and viscous instabilities. For density wave modes, the analysis can be simplified by means of a regular perturbation analysis; considering both shear and thermal diffusivities, the system is found to be overstable for intermediate and long wavelengths for values of the Toomre parameter Q ≲ 2; a non-SG instability is also detected for wavelengths ≳18H, where H is the disc scale-height, as long as γ ≲ 1.305. The regular perturbation analysis does not, however, hold for the entropy and potential vorticity slow modes as their ideal growth rates are degenerate. To understand their evolution, equations for the axisymmetric structure's amplitudes in these two quantities are analytically derived and their instability regions obtained. The instability appears boosted by increasing the value of the adiabatic index and of the Prandtl number, while it is quenched by efficient cooling.

Hypersonic Vehicle Propulsion System Simplified Model Development

NASA Technical Reports Server (NTRS)

Stueber, Thomas J.; Raitano, Paul; Le, Dzu K.; Ouzts, Peter

2007-01-01

This document addresses the modeling task plan for the hypersonic GN&C GRC team members. The overall propulsion system modeling task plan is a multi-step process and the task plan identified in this document addresses the first steps (short term modeling goals). The procedures and tools produced from this effort will be useful for creating simplified dynamic models applicable to a hypersonic vehicle propulsion system. The document continues with the GRC short term modeling goal. Next, a general description of the desired simplified model is presented along with simulations that are available to varying degrees. The simulations may be available in electronic form (FORTRAN, CFD, MatLab,...) or in paper form in published documents. Finally, roadmaps outlining possible avenues towards realizing simplified model are presented.

The interaction of intense, ultra-short microwave beams with the plasma generated by gas ionization

NASA Astrophysics Data System (ADS)

Shafir, G.; Cao, Y.; Bliokh, Y.; Leopold, J. G.; Levko, D.; Rostov, V.; Gad, R.; Fisher, A.; Bernshtam, V.; Krasik, Ya. E.

2018-03-01

Results of the non-linear interaction of an extremely short (0.6 ns) high power (˜500 MW) X-band focused microwave beam with the plasma generated by gas ionization are presented. Within certain gas pressure ranges, specific to the gas type, the plasma density is considerably lower around the microwave beam axis than at its periphery, thus forming guiding channel through which the beam self-focuses. Outside these pressure ranges, either diffuse or streamer-like plasma is observed. We also observe high energy electrons (˜15 keV), accelerated by the very high-power microwaves. A simplified analytical model of this complicated dynamical system and particle-in-cell numerical simulations confirm the experimental results.

Trends and Techniques for Space Base Electronics

NASA Technical Reports Server (NTRS)

Trotter, J. D.; Wade, T. E.; Gassaway, J. D.

1979-01-01

Simulations of various phosphorus and boron diffusions in SOS were completed and a sputtering system, furnaces, and photolithography related equipment were set up. Double layer metal experiments initially utilized wet chemistry techniques. By incorporating ultrasonic etching of the vias, premetal cleaning a modified buffered HF, phosphorus doped vapox, and extended sintering, yields of 98% were obtained using the standard test pattern. A two dimensional modeling program was written for simulating short channel MOSFETs with nonuniform substrate doping. A key simplifying assumption used is that the majority carriers can be represented by a sheet charge at the silicon dioxide silicon interface. Although the program is incomplete, the two dimensional Poisson equation for the potential distribution was achieved. The status of other Z-D MOSFET simulation programs is summarized.

Modeling the zonal disintegration of rocks near deep level tunnels by gradient internal variable continuous phase transition theory

NASA Astrophysics Data System (ADS)

Haoxiang, Chen; Qi, Chengzhi; Peng, Liu; Kairui, Li; Aifantis, Elias C.

2015-12-01

The occurrence of alternating damage zones surrounding underground openings (commonly known as zonal disintegration) is treated as a "far from thermodynamic equilibrium" dynamical process or a nonlinear continuous phase transition phenomenon. The approach of internal variable gradient theory with diffusive transport, which may be viewed as a subclass of Landau's phase transition theory, is adopted. The order parameter is identified with an irreversible strain quantity, the gradient of which enters into the expression for the free energy of the rock system. The gradient term stabilizes the material behavior in the post-softening regime, where zonal disintegration occurs. The results of a simplified linearized analysis are confirmed by the numerical solution of the nonlinear problem.

Satellite sweeping of electrons at Neptune and Uranus

NASA Technical Reports Server (NTRS)

Cooper, John F.

1990-01-01

Knowledge of satellite sweeping parameters at Neptune and Uranus, and of their functional dependences on particle energy and pitch angle, can be critical in the proper identification of parent absorbers for observed absorption signatures in regions where OTD (offset, tilted dipole) models are valid representations of the measured magnetic fields. In this paper, critical electron energies are calculated for longitudinal drift resonance, snowplow (i.e., strong) absorption, leapfrog, and corkscrew effects, using a reduced version of OTD that neglects nonaxial dipole offsets. Earlier analytic work on sweeping rates is extended to give the radial dependence of these rates within the minimum-L region and to set limits on diffusion of electrons with the simplifying approximation that leapfrog effects are ignored.

Application of a simplified calculation for full-wave microtremor H/ V spectral ratio based on the diffuse field approximation to identify underground velocity structures

NASA Astrophysics Data System (ADS)

Wu, Hao; Masaki, Kazuaki; Irikura, Kojiro; Sánchez-Sesma, Francisco José

2017-12-01

Under the diffuse field approximation, the full-wave (FW) microtremor H/ V spectral ratio ( H/ V) is modeled as the square root of the ratio of the sum of imaginary parts of the Green's function of the horizontal components to that of the vertical one. For a given layered medium, the FW H/ V can be well approximated with only surface waves (SW) H/ V of the "cap-layered" medium which consists of the given layered medium and a new larger velocity half-space (cap layer) at large depth. Because the contribution of surface waves can be simply obtained by the residue theorem, the computation of SW H/ V of cap-layered medium is faster than that of FW H/ V evaluated by discrete wavenumber method and contour integration method. The simplified computation of SW H/ V was then applied to identify the underground velocity structures at six KiK-net strong-motion stations. The inverted underground velocity structures were used to evaluate FW H/ Vs which were consistent with the SW H/ Vs of corresponding cap-layered media. The previous study on surface waves H/ Vs proposed with the distributed surface sources assumption and a fixed Rayleigh-to-Love waves amplitude ratio for horizontal motions showed a good agreement with the SW H/ Vs of our study. The consistency between observed and theoretical spectral ratios, such as the earthquake motions of H/ V spectral ratio and spectral ratio of horizontal motions between surface and bottom of borehole, indicated that the underground velocity structures identified from SW H/ V of cap-layered medium were well resolved by the new method.[Figure not available: see fulltext.

Simplified models for dark matter searches at the LHC

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

Abdallah, Jalal; Araujo, Henrique; Arbey, Alexandre

This document a outlines a set of simplified models for dark matter and its interactions with Standard Model particles. It is intended to summarize the main characteristics that these simplified models have when applied to dark matter searches at the LHC, and to provide a number of useful expressions for reference. The list of models includes both s-channel and t-channel scenarios. For s-channel, spin-0 and spin-1 mediations are discussed, and also realizations where the Higgs particle provides a portal between the dark and visible sectors. The guiding principles underpinning the proposed simplified models are spelled out, and some suggestions formore » implementation are presented.« less

Simplified Models for Dark Matter Searches at the LHC

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

Abdallah, Jalal

This document outlines a set of simplified models for dark matter and its interactions with Standard Model particles. It is intended to summarize the main characteristics that these simplified models have when applied to dark matter searches at the LHC, and to provide a number of useful expressions for reference. The list of models includes both s-channel and t-channel scenarios. For s-channel, spin-0 and spin-1 mediations are discussed, and also realizations where the Higgs particle provides a portal between the dark and visible sectors. The guiding principles underpinning the proposed simplified models are spelled out, and some suggestions for implementationmore » are presented.« less

Simplified Models for Dark Matter Searches at the LHC

DOE PAGES

Abdallah, Jalal

2015-08-11

This document outlines a set of simplified models for dark matter and its interactions with Standard Model particles. It is intended to summarize the main characteristics that these simplified models have when applied to dark matter searches at the LHC, and to provide a number of useful expressions for reference. The list of models includes both s-channel and t-channel scenarios. For s-channel, spin-0 and spin-1 mediations are discussed, and also realizations where the Higgs particle provides a portal between the dark and visible sectors. The guiding principles underpinning the proposed simplified models are spelled out, and some suggestions for implementationmore » are presented.« less

Investigating the Metallicity–Mixing-length Relation

NASA Astrophysics Data System (ADS)

Viani, Lucas S.; Basu, Sarbani; Joel Ong J., M.; Bonaca, Ana; Chaplin, William J.

2018-05-01

Stellar models typically use the mixing-length approximation as a way to implement convection in a simplified manner. While conventionally the value of the mixing-length parameter, α, used is the solar-calibrated value, many studies have shown that other values of α are needed to properly model stars. This uncertainty in the value of the mixing-length parameter is a major source of error in stellar models and isochrones. Using asteroseismic data, we determine the value of the mixing-length parameter required to properly model a set of about 450 stars ranging in log g, {T}eff}, and [{Fe}/{{H}}]. The relationship between the value of α required and the properties of the star is then investigated. For Eddington atmosphere, non-diffusion models, we find that the value of α can be approximated by a linear model, in the form of α /{α }ȯ =5.426{--}0.101 {log}(g)-1.071 {log}({T}eff}) +0.437([{Fe}/{{H}}]). This process is repeated using a variety of model physics, as well as compared with previous studies and results from 3D convective simulations.

Transient Ejector Analysis (TEA) code user's guide

NASA Technical Reports Server (NTRS)

Drummond, Colin K.

1993-01-01

A FORTRAN computer program for the semi analytic prediction of unsteady thrust augmenting ejector performance has been developed, based on a theoretical analysis for ejectors. That analysis blends classic self-similar turbulent jet descriptions with control-volume mixing region elements. Division of the ejector into an inlet, diffuser, and mixing region allowed flexibility in the modeling of the physics for each region. In particular, the inlet and diffuser analyses are simplified by a quasi-steady-analysis, justified by the assumption that pressure is the forcing function in those regions. Only the mixing region is assumed to be dominated by viscous effects. The present work provides an overview of the code structure, a description of the required input and output data file formats, and the results for a test case. Since there are limitations to the code for applications outside the bounds of the test case, the user should consider TEA as a research code (not as a production code), designed specifically as an implementation of the proposed ejector theory. Program error flags are discussed, and some diagnostic routines are presented.

High-accuracy power series solutions with arbitrarily large radius of convergence for the fractional nonlinear Schrödinger-type equations

NASA Astrophysics Data System (ADS)

Khawaja, U. Al; Al-Refai, M.; Shchedrin, Gavriil; Carr, Lincoln D.

2018-06-01

Fractional nonlinear differential equations present an interplay between two common and important effective descriptions used to simplify high dimensional or more complicated theories: nonlinearity and fractional derivatives. These effective descriptions thus appear commonly in physical and mathematical modeling. We present a new series method providing systematic controlled accuracy for solutions of fractional nonlinear differential equations, including the fractional nonlinear Schrödinger equation and the fractional nonlinear diffusion equation. The method relies on spatially iterative use of power series expansions. Our approach permits an arbitrarily large radius of convergence and thus solves the typical divergence problem endemic to power series approaches. In the specific case of the fractional nonlinear Schrödinger equation we find fractional generalizations of cnoidal waves of Jacobi elliptic functions as well as a fractional bright soliton. For the fractional nonlinear diffusion equation we find the combination of fractional and nonlinear effects results in a more strongly localized solution which nevertheless still exhibits power law tails, albeit at a much lower density.

A Nth-order linear algorithm for extracting diffuse correlation spectroscopy blood flow indices in heterogeneous tissues.

PubMed

Shang, Yu; Yu, Guoqiang

2014-09-29

Conventional semi-infinite analytical solutions of correlation diffusion equation may lead to errors when calculating blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements in tissues with irregular geometries. Very recently, we created an algorithm integrating a N th-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in homogenous tissues with arbitrary geometries for extraction of BFI (i.e., αD B ). The purpose of this study is to extend the capability of the N th-order linear algorithm for extracting BFI in heterogeneous tissues with arbitrary geometries. The previous linear algorithm was modified to extract BFIs in different types of tissues simultaneously through utilizing DCS data at multiple source-detector separations. We compared the proposed linear algorithm with the semi-infinite homogenous solution in a computer model of adult head with heterogeneous tissue layers of scalp, skull, cerebrospinal fluid, and brain. To test the capability of the linear algorithm for extracting relative changes of cerebral blood flow (rCBF) in deep brain, we assigned ten levels of αD B in the brain layer with a step decrement of 10% while maintaining αD B values constant in other layers. Simulation results demonstrate the accuracy (errors < 3%) of high-order ( N  ≥ 5) linear algorithm in extracting BFIs in different tissue layers and rCBF in deep brain. By contrast, the semi-infinite homogenous solution resulted in substantial errors in rCBF (34.5% ≤ errors ≤ 60.2%) and BFIs in different layers. The N th-order linear model simplifies data analysis, thus allowing for online data processing and displaying. Future study will test this linear algorithm in heterogeneous tissues with different levels of blood flow variations and noises.

The effects of gas diffusion layers structure on water transportation using X-ray computed tomography based Lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley

2018-02-01

The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.

Validity of the semi-infinite tumor model in diffuse reflectance spectroscopy for epithelial cancer diagnosis: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Zhu, Caigang; Liu, Quan

2011-08-01

The accurate understanding of optical properties of human tissues plays an important role in the optical diagnosis of early epithelial cancer. Many inverse models used to determine the optical properties of a tumor have assumed that the tumor was semi-infinite, which infers infinite width and length but finite thickness. However, this simplified assumption could lead to large errors for small tumor, especially at the early stages. We used a modified Monte Carlo code, which is able to simulate light transport in a layered tissue model with buried tumor-like targets, to investigate the validity of the semi-infinite tumor assumption in two common epithelial tissue models: a squamous cell carcinoma (SCC) tissue model and a basal cell carcinoma (BCC) tissue model. The SCC tissue model consisted of three layers, i.e. the top epithelium, the middle tumor and the bottom stroma. The BCC tissue model also consisted of three layers, i.e. the top epidermis, the middle tumor and the bottom dermis. Diffuse reflectance was simulated for two common fiber-optic probes. In one probe, both source and detector fibers were perpendicular to the tissue surface; while in the other, both fibers were tilted at 45 degrees relative to the normal axis of the tissue surface. It was demonstrated that the validity of the semi-infinite tumor model depends on both the fiber-optic probe configuration and the tumor dimensions. Two look-up tables, which relate the validity of the semi-infinite tumor model to the tumor width in terms of the source-detector separation, were derived to guide the selection of appropriate tumor models and fiber optic probe configuration for the optical diagnosis of early epithelial cancers.

The pseudo-compartment method for coupling partial differential equation and compartment-based models of diffusion.

PubMed

Yates, Christian A; Flegg, Mark B

2015-05-06

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs), which assumes there are sufficient densities of particles that a continuum approximation is valid. However, owing to recent advances in computational power, the simulation and therefore postulation, of computationally intensive individual-based models has become a popular way to investigate the effects of noise in reaction-diffusion systems in which regions of low copy numbers exist. The specific stochastic models with which we shall be concerned in this manuscript are referred to as 'compartment-based' or 'on-lattice'. These models are characterized by a discretization of the computational domain into a grid/lattice of 'compartments'. Within each compartment, particles are assumed to be well mixed and are permitted to react with other particles within their compartment or to transfer between neighbouring compartments. Stochastic models provide accuracy, but at the cost of significant computational resources. For models that have regions of both low and high concentrations, it is often desirable, for reasons of efficiency, to employ coupled multi-scale modelling paradigms. In this work, we develop two hybrid algorithms in which a PDE in one region of the domain is coupled to a compartment-based model in the other. Rather than attempting to balance average fluxes, our algorithms answer a more fundamental question: 'how are individual particles transported between the vastly different model descriptions?' First, we present an algorithm derived by carefully redefining the continuous PDE concentration as a probability distribution. While this first algorithm shows very strong convergence to analytical solutions of test problems, it can be cumbersome to simulate. Our second algorithm is a simplified and more efficient implementation of the first, it is derived in the continuum limit over the PDE region alone. We test our hybrid methods for functionality and accuracy in a variety of different scenarios by comparing the averaged simulations with analytical solutions of PDEs for mean concentrations. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Direct numerical simulation of the effect of an electric field on flame stability

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

Belhi, Memdouh; Domingo, Pascale; Vervisch, Pierre

2010-12-15

The role of electric fields in stabilising combustion is a well-known phenomenon. Among the possible mechanisms favouring the anchorage of the flame base, the ion-driven wind acting directly on flow momentum ahead of the flame base could be the leading one. Direct numerical simulation has been used to verify this hypothesis and lead to a better understanding of diffusion flame base anchoring in the presence of an externally applied voltage. In this context, a simplified modelling approach is proposed to describe combustion in the presence of electric body forces. The model reproduces the tendencies of experimental observations found in themore » literature. The sensitivity of the flame lift-off height to the applied voltage is studied and the modification of the velocity field ahead of the flame base induced by the electric volume forces is highlighted. (author)« less

An Excel®-based visualization tool of 2-D soil gas concentration profiles in petroleum vapor intrusion

PubMed Central

Verginelli, Iason; Yao, Yijun; Suuberg, Eric M.

2017-01-01

In this study we present a petroleum vapor intrusion tool implemented in Microsoft® Excel® using Visual Basic for Applications (VBA) and integrated within a graphical interface. The latter helps users easily visualize two-dimensional soil gas concentration profiles and indoor concentrations as a function of site-specific conditions such as source strength and depth, biodegradation reaction rate constant, soil characteristics and building features. This tool is based on a two-dimensional explicit analytical model that combines steady-state diffusion-dominated vapor transport in a homogeneous soil with a piecewise first-order aerobic biodegradation model, in which rate is limited by oxygen availability. As recommended in the recently released United States Environmental Protection Agency's final Petroleum Vapor Intrusion guidance, a sensitivity analysis and a simplified Monte Carlo uncertainty analysis are also included in the spreadsheet. PMID:28163564

An Excel®-based visualization tool of 2-D soil gas concentration profiles in petroleum vapor intrusion.

PubMed

Verginelli, Iason; Yao, Yijun; Suuberg, Eric M

2016-01-01

In this study we present a petroleum vapor intrusion tool implemented in Microsoft ® Excel ® using Visual Basic for Applications (VBA) and integrated within a graphical interface. The latter helps users easily visualize two-dimensional soil gas concentration profiles and indoor concentrations as a function of site-specific conditions such as source strength and depth, biodegradation reaction rate constant, soil characteristics and building features. This tool is based on a two-dimensional explicit analytical model that combines steady-state diffusion-dominated vapor transport in a homogeneous soil with a piecewise first-order aerobic biodegradation model, in which rate is limited by oxygen availability. As recommended in the recently released United States Environmental Protection Agency's final Petroleum Vapor Intrusion guidance, a sensitivity analysis and a simplified Monte Carlo uncertainty analysis are also included in the spreadsheet.

ESR imaging investigations of two-phase systems.

PubMed

Herrmann, Werner; Stösser, Reinhard; Borchert, Hans-Hubert

2007-06-01

The possibilities of electron spin resonance (ESR) and electron spin resonance imaging (ESRI) for investigating the properties of the spin probes TEMPO and TEMPOL in two-phase systems have been examined in the systems water/n-octanol, Miglyol/Miglyol, and Precirol/Miglyol. Phases and regions of the phase boundary could be mapped successfully by means of the isotropic hyperfine coupling constants, and, moreover, the quantification of rotational and lateral diffusion of the spin probes was possible. For the quantitative treatment of the micropolarity, a simplified empirical model was established on the basis of the Nernst distribution and the experimentally determined isotropic hyperfine coupling constants. The model does not only describe the summarized micropolarities of coexisting phases, but also the region of the phase boundary, where solvent molecules of different polarities and tendencies to form hydrogen bonds compete to interact with the NO group of the spin probe. Copyright 2007 John Wiley & Sons, Ltd.

Toward transient finite element simulation of thermal deformation of machine tools in real-time

NASA Astrophysics Data System (ADS)

Naumann, Andreas; Ruprecht, Daniel; Wensch, Joerg

2018-01-01

Finite element models without simplifying assumptions can accurately describe the spatial and temporal distribution of heat in machine tools as well as the resulting deformation. In principle, this allows to correct for displacements of the Tool Centre Point and enables high precision manufacturing. However, the computational cost of FE models and restriction to generic algorithms in commercial tools like ANSYS prevents their operational use since simulations have to run faster than real-time. For the case where heat diffusion is slow compared to machine movement, we introduce a tailored implicit-explicit multi-rate time stepping method of higher order based on spectral deferred corrections. Using the open-source FEM library DUNE, we show that fully coupled simulations of the temperature field are possible in real-time for a machine consisting of a stock sliding up and down on rails attached to a stand.

Design and performance evaluation of a simplified dynamic model for combined sewer overflows in pumped sewer systems

NASA Astrophysics Data System (ADS)

van Daal-Rombouts, Petra; Sun, Siao; Langeveld, Jeroen; Bertrand-Krajewski, Jean-Luc; Clemens, François

2016-07-01

Optimisation or real time control (RTC) studies in wastewater systems increasingly require rapid simulations of sewer systems in extensive catchments. To reduce the simulation time calibrated simplified models are applied, with the performance generally based on the goodness of fit of the calibration. In this research the performance of three simplified and a full hydrodynamic (FH) model for two catchments are compared based on the correct determination of CSO event occurrences and of the total discharged volumes to the surface water. Simplified model M1 consists of a rainfall runoff outflow (RRO) model only. M2 combines the RRO model with a static reservoir model for the sewer behaviour. M3 comprises the RRO model and a dynamic reservoir model. The dynamic reservoir characteristics were derived from FH model simulations. It was found that M2 and M3 are able to describe the sewer behaviour of the catchments, contrary to M1. The preferred model structure depends on the quality of the information (geometrical database and monitoring data) available for the design and calibration of the model. Finally, calibrated simplified models are shown to be preferable to uncalibrated FH models when performing optimisation or RTC studies.

Reduced Fokker-Planck models for fast particle distribution across a transition layer of disparate plasma temperatures

NASA Astrophysics Data System (ADS)

Tang, Xian-Zhu; Berk, H. L.; Guo, Zehua; McDevitt, C. J.

2014-03-01

Across a transition layer of disparate plasma temperatures, the high energy tail of the plasma distribution can have appreciable deviations from the local Maxwellian distribution due to the Knudson layer effect. The Fokker-Planck equation for the tail particle population can be simplified in a series of practically useful limiting cases. The first is the approximation of background Maxwellian distribution for linearizing the collision operator. The second is the supra-thermal particle speed ordering of vTi ≪ v ≪ vTe for the tail ions and vTi ≪ vTe ≪ v for the tail electrons. Keeping both the collisional drag and energy scattering is essential for the collision operator to produce a Maxwellian tail distribution. The Fokker-Planck model for following the tail ion distribution for a given background plasma profile is explicitly worked out for systems of one spatial dimension, in both slab and spherical geometry. A third simplification is an expansion of the tail particle distribution using the spherical harmonics, which are eigenfunctions of the pitch angle scattering operator. This produces a set of coupled Fokker-Planck equations that contain energy-dependent spatial diffusion terms in two coordinates (position and energy), which originate from pitch angle scattering in the original Fokker-Planck equation. It is shown that the well-known diffusive Fokker-Planck model is a poor approximation of the two-mode truncation model, which itself has fundamental deficiency compared with the three-mode truncation model. The cause is the lack of even-symmetry representation in pitch dependence in the two-mode truncation model.

Simplified models for dark matter face their consistent completions

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

Gonçalves, Dorival; Machado, Pedro A. N.; No, Jose Miguel

Simplified dark matter models have been recently advocated as a powerful tool to exploit the complementarity between dark matter direct detection, indirect detection and LHC experimental probes. Focusing on pseudoscalar mediators between the dark and visible sectors, we show that the simplified dark matter model phenomenology departs significantly from that of consistentmore » $${SU(2)_{\\mathrm{L}} \\times U(1)_{\\mathrm{Y}}}$$ gauge invariant completions. We discuss the key physics simplified models fail to capture, and its impact on LHC searches. Notably, we show that resonant mono-Z searches provide competitive sensitivities to standard mono-jet analyses at $13$ TeV LHC.« less

Validation of Simplified Load Equations Through Loads Measurement and Modeling of a Small Horizontal-Axis Wind Turbine Tower

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

Dana, Scott; Van Dam, Jeroen J; Damiani, Rick R

As part of an ongoing effort to improve the modeling and prediction of small wind turbine dynamics, the National Renewable Energy Laboratory (NREL) tested a small horizontal-axis wind turbine in the field at the National Wind Technology Center. The test turbine was a 2.1-kW downwind machine mounted on an 18-m multi-section fiberglass composite tower. The tower was instrumented and monitored for approximately 6 months. The collected data were analyzed to assess the turbine and tower loads and further validate the simplified loads equations from the International Electrotechnical Commission (IEC) 61400-2 design standards. Field-measured loads were also compared to the outputmore » of an aeroelastic model of the turbine. In particular, we compared fatigue loads as measured in the field, predicted by the aeroelastic model, and calculated using the simplified design equations. Ultimate loads at the tower base were assessed using both the simplified design equations and the aeroelastic model output. The simplified design equations in IEC 61400-2 do not accurately model fatigue loads and a discussion about the simplified design equations is discussed.« less

Simplified aerosol modeling for variational data assimilation

NASA Astrophysics Data System (ADS)

Huneeus, N.; Boucher, O.; Chevallier, F.

2009-11-01

We have developed a simplified aerosol model together with its tangent linear and adjoint versions for the ultimate aim of optimizing global aerosol and aerosol precursor emission using variational data assimilation. The model was derived from the general circulation model LMDz; it groups together the 24 aerosol species simulated in LMDz into 4 species, namely gaseous precursors, fine mode aerosols, coarse mode desert dust and coarse mode sea salt. The emissions have been kept as in the original model. Modifications, however, were introduced in the computation of aerosol optical depth and in the processes of sedimentation, dry and wet deposition and sulphur chemistry to ensure consistency with the new set of species and their composition. The simplified model successfully manages to reproduce the main features of the aerosol distribution in LMDz. The largest differences in aerosol load are observed for fine mode aerosols and gaseous precursors. Differences between the original and simplified models are mainly associated to the new deposition and sedimentation velocities consistent with the definition of species in the simplified model and the simplification of the sulphur chemistry. Furthermore, simulated aerosol optical depth remains within the variability of monthly AERONET observations for all aerosol types and all sites throughout most of the year. Largest differences are observed over sites with strong desert dust influence. In terms of the daily aerosol variability, the model is less able to reproduce the observed variability from the AERONET data with larger discrepancies in stations affected by industrial aerosols. The simplified model however, closely follows the daily simulation from LMDz. Sensitivity analyses with the tangent linear version show that the simplified sulphur chemistry is the dominant process responsible for the strong non-linearity of the model.

On the coverage of the pMSSM by simplified model results

NASA Astrophysics Data System (ADS)

Ambrogi, Federico; Kraml, Sabine; Kulkarni, Suchita; Laa, Ursula; Lessa, Andre; Waltenberger, Wolfgang

2018-03-01

We investigate to which extent the SUSY search results published by ATLAS and CMS in the context of simplified models actually cover the more realistic scenarios of a full model. Concretely, we work within the phenomenological MSSM (pMSSM) with 19 free parameters and compare the constraints obtained from SModelS v1.1.1 with those from the ATLAS pMSSM study in arXiv:1508.06608. We find that about 40-45% of the points excluded by ATLAS escape the currently available simplified model constraints. For these points we identify the most relevant topologies which are not tested by the current simplified model results. In particular, we find that topologies with asymmetric branches, including 3-jet signatures from gluino-squark associated production, could be important for improving the current constraining power of simplified models results. Furthermore, for a better coverage of light stops and sbottoms, constraints for decays via heavier neutralinos and charginos, which subsequently decay visibly to the lightest neutralino are also needed.

PAINeT: An object-oriented software package for simulations of flow-field, transport coefficients and flux terms in non-equilibrium gas mixture flows

NASA Astrophysics Data System (ADS)

Istomin, V. A.

2018-05-01

The software package Planet Atmosphere Investigator of Non-equilibrium Thermodynamics (PAINeT) has been devel-oped for studying the non-equilibrium effects associated with electronic excitation, chemical reactions and ionization. These studies are necessary for modeling process in shock tubes, in high enthalpy flows, in nozzles or jet engines, in combustion and explosion processes, in modern plasma-chemical and laser technologies. The advantages and possibilities of the package implementation are stated. Within the framework of the package implementation, based on kinetic theory approximations (one-temperature and state-to-state approaches), calculations are carried out, and the limits of applicability of a simplified description of shock-heated air flows and any other mixtures chosen by the user are given. Using kinetic theory algorithms, a numerical calculation of the heat fluxes and relaxation terms can be performed, which is necessary for further comparison of engineering simulation with experi-mental data. The influence of state-to-state distributions over electronic energy levels on the coefficients of thermal conductivity, diffusion, heat fluxes and diffusion velocities of the components of various gas mixtures behind shock waves is studied. Using the software package the accuracy of different approximations of the kinetic theory of gases is estimated. As an example state-resolved atomic ionized mixture of N/N+/O/O+/e- is considered. It is shown that state-resolved diffusion coefficients of neutral and ionized species vary from level to level. Comparing results of engineering applications with those given by PAINeT, recommendations for adequate models selection are proposed.

Simplified method for numerical modeling of fiber lasers.

PubMed

Shtyrina, O V; Yarutkina, I A; Fedoruk, M P

2014-12-29

A simplified numerical approach to modeling of dissipative dispersion-managed fiber lasers is examined. We present a new numerical iteration algorithm for finding the periodic solutions of the system of nonlinear ordinary differential equations describing the intra-cavity dynamics of the dissipative soliton characteristics in dispersion-managed fiber lasers. We demonstrate that results obtained using simplified model are in good agreement with full numerical modeling based on the corresponding partial differential equations.

Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo

DOE PAGES

Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; ...

2015-10-09

Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.

Kinetic Monte Carlo simulations of ion-induced ripple formation: Dependence on flux, temperature, and defect concentration in the linear regime

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

Chason, E.; Chan, W. L.; Bharathi, M. S.

Low-energy ion bombardment produces spontaneous periodic structures (sputter ripples) on many surfaces. Continuum theories describe the pattern formation in terms of ion-surface interactions and surface relaxation kinetics, but many features of these models (such as defect concentration) are unknown or difficult to determine. In this work, we present results of kinetic Monte Carlo simulations that model surface evolution using discrete atomistic versions of the physical processes included in the continuum theories. From simulations over a range of parameters, we obtain the dependence of the ripple growth rate, wavelength, and velocity on the ion flux and temperature. The results are discussedmore » in terms of the thermally dependent concentration and diffusivity of ion-induced surface defects. We find that in the early stages of ripple formation the simulation results are surprisingly well described by the predictions of the continuum theory, in spite of simplifying approximations used in the continuum model.« less

Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins

NASA Astrophysics Data System (ADS)

Kusmin, André; Lechner, Ruep E.; Saenger, Wolfram

2011-01-01

We present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions. The extension of the static theory of the excluded volume effect [A. K. Soper, J. Phys.: Condens. Matter 9, 2399 (1997)] to the time-dependent (dynamic) case allows us to obtain simplified model expressions for QENS spectra in the low Q region in the uniform fluid approximation. The resulting expressions describe the quasielastic small-angle neutron scattering (QESANS) spectra of D _2O solutions of native and methylated cyclodextrins well, yielding in particular translational and rotational diffusion coefficients of these compounds in aqueous solution. Finally, we discuss the full potential of the QESANS analysis (that is, beyond the uniform fluid approximation), in particular, the information on solute-solvent interactions (e.g., hydration shell properties) that such an analysis can provide, in principle.

Focusing patterns of seismicity with relocation and collapsing

NASA Astrophysics Data System (ADS)

Li, Ka Lok; Gudmundsson, Ólafur; Tryggvason, Ari; Bödvarsson, Reynir; Brandsdóttir, Bryndís

2016-07-01

Seismicity is generally concentrated on faults or in fault zones of varying, sometimes complex geometry. An earthquake catalog, compiled over time, contains useful information about this geometry, which can help understanding the tectonics of a region. Interpreting the geometrical distribution of events in a catalog is often complicated by the diffuseness of the earthquake locations. Here, we explore a number of strategies to reduce this diffuseness and hence simplify the seismicity pattern of an earthquake catalog. These strategies utilize information about event locations contained in their overall catalog distribution. They apply this distribution as an a priori constraint on relocations of the events, or as an attractor for each individual event in a collapsing scheme, and thereby focus the locations. The latter strategy is not a relocation strategy in a strict sense, although event foci are moved, because the movements are not driven by data misfit. Both strategies simplify the seismicity pattern of the catalog and may help to interpret it. A synthetic example and a real-data example from an aftershock sequence in south west Iceland are presented to demonstrate application of the strategies. Entropy is used to quantify their effect.

A study of an alignment-less lithography method as an educational resource

NASA Astrophysics Data System (ADS)

Kai, Kazuho; Shiota, Koki; Nagaoka, Shiro; Mahmood, Mohamad Rusop Bin Haji; Kawai, Akira

2016-07-01

A simplification of the lithography process was studied. The simplification method of photolithography, named "alignment-less lithography" was proposed by omitting the photomask alignment process in photolithography process using mechanically aligned photomasks and substrate by using a simple jig on which countersinks were formed. Photomasks made of glass and the photomasks made of transparent plastic sheets were prepared for the process. As the result, approximately 5µm in the case of the glass mask, and 20µm in the case of the OHP mask were obtained with repetitive accuracies, respectively. It was confirmed that the alignment-less lithography method was successful. The possibility of the application to an educational program, such as a heuristic for solving problems was suggested using the method with the OHP mask. The nMOS FET fabrication process was successfully demonstrated using this method. The feasibility of this process was confirmed. It is expected that a totally simplified device fabrication process can be achievable when combined with other simplifications, such ass the simplified impurity diffusion processes using PSG and BSG thin film as diffusion source prepared by the Sol-Gel material under normal air environment.

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

Hobbs, Michael L.

We previously developed a PETN thermal decomposition model that accurately predicts thermal ignition and detonator failure [1]. This model was originally developed for CALORE [2] and required several complex user subroutines. Recently, a simplified version of the PETN decomposition model was implemented into ARIA [3] using a general chemistry framework without need for user subroutines. Detonator failure was also predicted with this new model using ENCORE. The model was simplified by 1) basing the model on moles rather than mass, 2) simplifying the thermal conductivity model, and 3) implementing ARIA’s new phase change model. This memo briefly describes the model,more » implementation, and validation.« less

Ion Thruster Discharge Performance Per Magnetic Field Topography

NASA Technical Reports Server (NTRS)

Wirz, Richard E.; Goebel, Dan

2006-01-01

DC-ION is a detailed computational model for predicting the plasma characteristics of rain-cusp ion thrusters. The advanced magnetic field meshing algorithm used by DC-ION allows precise treatment of the secondary electron flow. This capability allows self-consistent estimates of plasma potential that improves the overall consistency of the results of the discharge model described in Reference [refJPC05mod1]. Plasma potential estimates allow the model to predict the onset of plasma instabilities, and important shortcoming of the previous model for optimizing the design of discharge chambers. A magnetic field mesh simplifies the plasma flow calculations, for both the ions and the secondary electrons, and significantly reduces numerical diffusion that can occur with meshes not aligned with the magnetic field. Comparing the results of this model to experimental data shows that the behavior of the primary electrons, and the precise manner of their confinement, dictates the fundamental efficiency of ring-cusp. This correlation is evident in simulations of the conventionally sized NSTAR thruster (30 cm diameter) and the miniature MiXI thruster (3 cm diameter).

Interstellar clouds - From a dynamical perspective on their chemistry

NASA Technical Reports Server (NTRS)

Prasad, S. S.

1985-01-01

The possibility is examined that in the course of its dynamical evolution, a single mass of interstellar gas would exhibit properties of diffuse clouds, dense clouds and finally also of clouds perturbed by shocks or intense UV or X-ray radiation generated by a star of its own creation. This concept provides a common thread through the bewildering diversity of physical and chemical compositional properties shown by interstellar clouds. From this perspective, instead of being static objects, interstellar clouds are possibly incessantly evolving from initially diffuse to later dense state and then to star formation which ultimately restructures or disperses the remaining cloud material to begin the whole evolutionary process once again. Based on a simplified study of interstellar chemistry from a dynamical perspective, the ideas are presented as an heuristic: to encourage thought on the future direction of molecular astrophysics and the need to consider the chemical behavior of interstellar clouds in conjunction with, rather than in isolation from, their dynamical behavior. A physical basis must be sought for the semiempirical temperature formula which has been given a critical role in the collapse of diffuse clouds. Self-shielding effects in the chemistry of CO were neglected and this drawback should be removed; the ability of the model to explain the fractional abundances of more complex molecules, such as cyanopolyynes, should be examined.

Mathematical modeling of planar cell polarity signaling in the Drosophila melanogaster wing

NASA Astrophysics Data System (ADS)

Amonlirdviman, Keith

Planar cell polarity (PCP) signaling refers to the coordinated polarization of cells within the plane of various epithelial tissues to generate sub-cellular asymmetry along an axis orthogonal to their apical-basal axes. For example, in the Drosophila wing, PCP is seen in the parallel orientation of hairs that protrude from each of the approximately 30,000 epithelial cells to robustly point toward the wing tip. Through a poorly understood mechanism, cell clones mutant for some PCP signaling components, including some, but not all alleles of the receptor frizzled, cause polarity disruptions of neighboring, wild-type cells, a phenomenon referred to as domineering nonautonomy. Previous models have proposed diffusible factors to explain nonautonomy, but no such factors have yet been found. This dissertation describes the mathematical modeling of PCP in the Drosophila wing, based on a contact dependent signaling hypothesis derived from experimental results. Intuition alone is insufficient to deduce that this hypothesis, which relies on a local feedback loop acting at the cell membrane, underlies the complex patterns observed in large fields of cells containing mutant clones, and others have argued that it cannot account for observed phenotypes. Through reaction-diffusion, partial differential equation modeling and simulation, the feedback loop is shown to fully reproduce PCP phenotypes, including domineering nonautonomy. The sufficiency of this model and the experimental validation of model predictions argue that previously proposed diffusible factors need not be invoked to explain PCP signaling and reveal how specific protein-protein interactions lead to autonomy or domineering nonautonomy. Based on these results, an ordinary differential equation model is derived to study the relationship of the feedback loop with upstream signaling components. The cadherin Fat transduces a cue to the local feedback loop, biasing the polarity direction of each cell toward the wing tip. The feedback loop then amplifies and propagates PCP across the pupal wing, but polarity information does not always propagate correctly across cells lacking Fat function. Using the simplified model, the presence and severity of polarity defects in fat clones is shown to be an inherent consequence of the feedback loop when confronted with irregular variations in cell geometry.

Large-scale Instability during Gravitational Collapse with Neutrino Transport and a Core-Collapse Supernova

NASA Astrophysics Data System (ADS)

Aksenov, A. G.; Chechetkin, V. M.

2018-04-01

Most of the energy released in the gravitational collapse of the cores of massive stars is carried away by neutrinos. Neutrinos play a pivotal role in explaining core-collape supernovae. Currently, mathematical models of the gravitational collapse are based on multi-dimensional gas dynamics and thermonuclear reactions, while neutrino transport is considered in a simplified way. Multidimensional gas dynamics is used with neutrino transport in the flux-limited diffusion approximation to study the role of multi-dimensional effects. The possibility of large-scale convection is discussed, which is interesting both for explaining SN II and for setting up observations to register possible high-energy (≳10MeV) neutrinos from the supernova. A new multi-dimensional, multi-temperature gas dynamics method with neutrino transport is presented.

Sound wave resonances in micro-electro-mechanical systems devices vibrating at high frequencies according to the kinetic theory of gases

NASA Astrophysics Data System (ADS)

Desvillettes, Laurent; Lorenzani, Silvia

2012-09-01

The mechanism leading to gas damping in micro-electro-mechanical systems (MEMS) devices vibrating at high frequencies is investigated by using the linearized Boltzmann equation based on simplified kinetic models and diffuse reflection boundary conditions. Above a certain frequency of oscillation, the sound waves propagating through the gas are trapped in the gaps between the moving elements and the fixed boundaries of the microdevice. In particular, we found a scaling law, valid for all Knudsen numbers Kn (defined as the ratio between the gas mean free path and a characteristic length of the gas flow), that predicts a resonant response of the system. This response enables a minimization of the damping force exerted by the gas on the oscillating wall of the microdevice.

Towards a Model of Reactive-Cracking: the Role of Reactions, Elasticity and Surface Energy Driven Flow in Poro-elastic Media

NASA Astrophysics Data System (ADS)

Evans, O.; Spiegelman, M. W.; Wilson, C. R.; Kelemen, P. B.

2016-12-01

Many critical processes can be described by reactive fluid flow in brittle media, including hydration/alteration of oceanic plates near spreading ridges, chemical weathering, and dehydration/decarbonation of subducting plates. Such hydration reactions can produce volume changes that may induce stresses large enough to drive fracture in the rock, in turn exposing new reactive surface and modifying the permeability. A better understanding of this potentially rich feedback could also be critical in the design of engineered systems for geologic carbon sequestration. To aid understanding of these processes we have developed a macroscopic continuum description of reactive fluid flow in an elastically deformable porous media. We explore the behaviour of this model by considering a simplified hydration reaction (e.g. olivine + H20 -> serpentine + brucite). In a closed system, these hydration reactions will continue to consume available fluids until the permeability reaches zero, leaving behind it a highly stressed residuum. Our model demonstrates this limiting behaviour, and that the elastic stresses generated are large enough to cause failure/fracture of the host rock. Whilst it is understood that `reactive fracture' is an important mechanism for the continued evolution of this process, it is also proposed that imbibition/surface energy driven flow may play a role. Through a simplified set of computational experiments, we investigate the relative roles of elasticity and surface energy in both a non-reactive purely poro-elastic framework, and then in the presence of reaction. We demonstrate that surface energy can drive rapid diffusion of porosity, thus allowing the reaction to propagate over larger areas. As we expect both surface energy and fracture/failure to be of importance in these processes, we plan to integrate the current model into one that allows for fracture once critical stresses are exceeded.

A simplified dynamic model of the T700 turboshaft engine

NASA Technical Reports Server (NTRS)

Duyar, Ahmet; Gu, Zhen; Litt, Jonathan S.

1992-01-01

A simplified open-loop dynamic model of the T700 turboshaft engine, valid within the normal operating range of the engine, is developed. This model is obtained by linking linear state space models obtained at different engine operating points. Each linear model is developed from a detailed nonlinear engine simulation using a multivariable system identification and realization method. The simplified model may be used with a model-based real time diagnostic scheme for fault detection and diagnostics, as well as for open loop engine dynamics studies and closed loop control analysis utilizing a user generated control law.

Improvement on a simplified model for protein folding simulation.

PubMed

Zhang, Ming; Chen, Changjun; He, Yi; Xiao, Yi

2005-11-01

Improvements were made on a simplified protein model--the Ramachandran model-to achieve better computer simulation of protein folding. To check the validity of such improvements, we chose the ultrafast folding protein Engrailed Homeodomain as an example and explored several aspects of its folding. The engrailed homeodomain is a mainly alpha-helical protein of 61 residues from Drosophila melanogaster. We found that the simplified model of Engrailed Homeodomain can fold into a global minimum state with a tertiary structure in good agreement with its native structure.

Unimolecular decomposition reactions at low-pressure: A comparison of competitive methods

NASA Technical Reports Server (NTRS)

Adams, G. F.

1980-01-01

The lack of a simple rate coefficient expression to describe the pressure and temperature dependence hampers chemical modeling of flame systems. Recently developed simplified models to describe unimolecular processes include the calculation of rate constants for thermal unimolecular reactions and recombinations at the low pressure limit, at the high pressure limit and in the intermediate fall-off region. Comparison between two different applications of Troe's simplified model and a comparison between the simplified model and the classic RRKM theory are described.

TMDL RUSLE MODEL

EPA Science Inventory

We developed a simplified spreadsheet modeling approach for characterizing and prioritizing sources of sediment loadings from watersheds in the United States. A simplified modeling approach was developed to evaluate sediment loadings from watersheds and selected land segments. ...

Effects of various boundary conditions on the response of Poisson-Nernst-Planck impedance spectroscopy analysis models and comparison with a continuous-time random-walk model.

PubMed

Macdonald, J Ross

2011-11-24

Various electrode reaction rate boundary conditions suitable for mean-field Poisson-Nernst-Planck (PNP) mobile charge frequency response continuum models are defined and incorporated in the resulting Chang-Jaffe (CJ) CJPNP model, the ohmic OHPNP one, and a simplified GPNP one in order to generalize from full to partial blocking of mobile charges at the two plane parallel electrodes. Model responses using exact synthetic PNP data involving only mobile negative charges are discussed and compared for a wide range of CJ dimensionless reaction rate values. The CJPNP and OHPNP ones are shown to be fully equivalent, except possibly for the analysis of nanomaterial structures. The dielectric strengths associated with the CJPNP diffuse double layers at the electrodes were found to decrease toward 0 as the reaction rate increased, consistent with fewer blocked charges and more reacting ones. Parameter estimates from GPNP fits of CJPNP data were shown to lead to accurate calculated values of the CJ reaction rate and of some other CJPNP parameters. Best fits of CaCu(3)Ti(4)O(12) (CCTO) single-crystal data, an electronic conductor, at 80 and 140 K, required the anomalous diffusion model, CJPNPA, and led to medium-size rate estimates of about 0.12 and 0.03, respectively, as well as good estimates of the values of other important CJPNPA parameters such as the independently verified concentration of neutral dissociable centers. These continuum-fit results were found to be only somewhat comparable to those obtained from a composite continuous-time random-walk hopping/trapping semiuniversal UN model.

Towards a multi-physics modelling framework for thrombolysis under the influence of blood flow.

PubMed

Piebalgs, Andris; Xu, X Yun

2015-12-06

Thrombolytic therapy is an effective means of treating thromboembolic diseases but can also give rise to life-threatening side effects. The infusion of a high drug concentration can provoke internal bleeding while an insufficient dose can lead to artery reocclusion. It is hoped that mathematical modelling of the process of clot lysis can lead to a better understanding and improvement of thrombolytic therapy. To this end, a multi-physics continuum model has been developed to simulate the dissolution of clot over time upon the addition of tissue plasminogen activator (tPA). The transport of tPA and other lytic proteins is modelled by a set of reaction-diffusion-convection equations, while blood flow is described by volume-averaged continuity and momentum equations. The clot is modelled as a fibrous porous medium with its properties being determined as a function of the fibrin fibre radius and voidage of the clot. A unique feature of the model is that it is capable of simulating the entire lytic process from the initial phase of lysis of an occlusive thrombus (diffusion-limited transport), the process of recanalization, to post-canalization thrombolysis under the influence of convective blood flow. The model has been used to examine the dissolution of a fully occluding clot in a simplified artery at different pressure drops. Our predicted lytic front velocities during the initial stage of lysis agree well with experimental and computational results reported by others. Following canalization, clot lysis patterns are strongly influenced by local flow patterns, which are symmetric at low pressure drops, but asymmetric at higher pressure drops, which give rise to larger recirculation regions and extended areas of intense drug accumulation. © 2015 The Authors.

Validation of Simplified Load Equations through Loads Measurement and Modeling of a Small Horizontal-Axis Wind Turbine Tower; NREL (National Renewable Energy Laboratory)

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

Dana, S.; Damiani, R.; vanDam, J.

As part of an ongoing effort to improve the modeling and prediction of small wind turbine dynamics, NREL tested a small horizontal axis wind turbine in the field at the National Wind Technology Center (NWTC). The test turbine was a 2.1-kW downwind machine mounted on an 18-meter multi-section fiberglass composite tower. The tower was instrumented and monitored for approximately 6 months. The collected data were analyzed to assess the turbine and tower loads and further validate the simplified loads equations from the International Electrotechnical Commission (IEC) 61400-2 design standards. Field-measured loads were also compared to the output of an aeroelasticmore » model of the turbine. Ultimate loads at the tower base were assessed using both the simplified design equations and the aeroelastic model output. The simplified design equations in IEC 61400-2 do not accurately model fatigue loads. In this project, we compared fatigue loads as measured in the field, as predicted by the aeroelastic model, and as calculated using the simplified design equations.« less

Characterization of double continuum formulations of transport through pore-scale information

NASA Astrophysics Data System (ADS)

Porta, G.; Ceriotti, G.; Bijeljic, B.

2016-12-01

Information on pore-scale characteristics is becoming increasingly available at unprecedented levels of detail from modern visualization/data-acquisition techniques. These advancements are not completely matched by corresponding developments of operational procedures according to which we can engineer theoretical findings aiming at improving our ability to reduce the uncertainty associated with the outputs of continuum-scale models to be employed at large scales. We present here a modeling approach which rests on pore-scale information to achieve a complete characterization of a double continuum model of transport and fluid-fluid reactive processes. Our model makes full use of pore-scale velocity distributions to identify mobile and immobile regions. We do so on the basis of a pointwise (in the pore space) evaluation of the relative strength of advection and diffusion time scales, as rendered by spatially variable values of local Péclet numbers. After mobile and immobile regions are demarcated, we build a simplified unit cell which is employed as a representative proxy of the real porous domain. This model geometry is then employed to simplify the computation of the effective parameters embedded in the double continuum transport model, while retaining relevant information from the pore-scale characterization of the geometry and velocity field. We document results which illustrate the applicability of the methodology to predict transport of a passive tracer within two- and three-dimensional media upon comparison with direct pore-scale numerical simulation of transport in the same geometrical settings. We also show preliminary results about the extension of this model to fluid-fluid reactive transport processes. In this context, we focus on results obtained in two-dimensional porous systems. We discuss the impact of critical quantities required as input to our modeling approach to obtain continuum-scale outputs. We identify the key limitations of the proposed methodology and discuss its capability also in comparison with alternative approaches grounded, e.g., on nonlocal and particle-based approximations.

Effects of dialysate flow configurations in continuous renal replacement therapy on solute removal: computational modeling.

PubMed

Kim, Jeong Chul; Cruz, Dinna; Garzotto, Francesco; Kaushik, Manish; Teixeria, Catarina; Baldwin, Marie; Baldwin, Ian; Nalesso, Federico; Kim, Ji Hyun; Kang, Eungtaek; Kim, Hee Chan; Ronco, Claudio

2013-01-01

Continuous renal replacement therapy (CRRT) is commonly used for critically ill patients with acute kidney injury. During treatment, a slow dialysate flow rate can be applied to enhance diffusive solute removal. However, due to the lack of the rationale of the dialysate flow configuration (countercurrent or concurrent to blood flow), in clinical practice, the connection settings of a hemodiafilter are done depending on nurse preference or at random. In this study, we investigated the effects of flow configurations in a hemodiafilter during continuous venovenous hemodialysis on solute removal and fluid transport using computational fluid dynamic modeling. We solved the momentum equation coupling solute transport to predict quantitative diffusion and convection phenomena in a simplified hemodiafilter model. Computational modeling results showed superior solute removal (clearance of urea: 67.8 vs. 45.1 ml/min) and convection (filtration volume: 29.0 vs. 25.7 ml/min) performances for the countercurrent flow configuration. Countercurrent flow configuration enhances convection and diffusion compared to concurrent flow configuration by increasing filtration volume and equilibrium concentration in the proximal part of a hemodiafilter and backfiltration of pure dialysate in the distal part. In clinical practice, the countercurrent dialysate flow configuration of a hemodiafilter could increase solute removal in CRRT. Nevertheless, while this configuration may become mandatory for high-efficiency treatments, the impact of differences in solute removal observed in slow continuous therapies may be less important. Under these circumstances, if continuous therapies are prescribed, some of the advantages of the concurrent configuration in terms of simpler circuit layout and simpler machine design may overcome the advantages in terms of solute clearance. Different dialysate flow configurations influence solute clearance and change major solute removal mechanisms in the proximal and distal parts of a hemodiafilter. Advantages of each configuration should be balanced against the overall performance of the treatment and its simplicity in terms of treatment delivery and circuit handling procedures. Copyright © 2013 S. Karger AG, Basel.

Experimental validation of finite element modelling of a modular metal-on-polyethylene total hip replacement.

PubMed

Hua, Xijin; Wang, Ling; Al-Hajjar, Mazen; Jin, Zhongmin; Wilcox, Ruth K; Fisher, John

2014-07-01

Finite element models are becoming increasingly useful tools to conduct parametric analysis, design optimisation and pre-clinical testing for hip joint replacements. However, the verification of the finite element model is critically important. The purposes of this study were to develop a three-dimensional anatomic finite element model for a modular metal-on-polyethylene total hip replacement for predicting its contact mechanics and to conduct experimental validation for a simple finite element model which was simplified from the anatomic finite element model. An anatomic modular metal-on-polyethylene total hip replacement model (anatomic model) was first developed and then simplified with reasonable accuracy to a simple modular total hip replacement model (simplified model) for validation. The contact areas on the articulating surface of three polyethylene liners of modular metal-on-polyethylene total hip replacement bearings with different clearances were measured experimentally in the Leeds ProSim hip joint simulator under a series of loading conditions and different cup inclination angles. The contact areas predicted from the simplified model were then compared with that measured experimentally under the same conditions. The results showed that the simplification made for the anatomic model did not change the predictions of contact mechanics of the modular metal-on-polyethylene total hip replacement substantially (less than 12% for contact stresses and contact areas). Good agreements of contact areas between the finite element predictions from the simplified model and experimental measurements were obtained, with maximum difference of 14% across all conditions considered. This indicated that the simplification and assumptions made in the anatomic model were reasonable and the finite element predictions from the simplified model were valid. © IMechE 2014.

Simplified Models for the Study of Postbuckled Hat-Stiffened Composite Panels

NASA Technical Reports Server (NTRS)

Vescovini, Riccardo; Davila, Carlos G.; Bisagni, Chiara

2012-01-01

The postbuckling response and failure of multistringer stiffened panels is analyzed using models with three levels of approximation. The first model uses a relatively coarse mesh to capture the global postbuckling response of a five-stringer panel. The second model can predict the nonlinear response as well as the debonding and crippling failure mechanisms in a single stringer compression specimen (SSCS). The third model consists of a simplified version of the SSCS that is designed to minimize the computational effort. The simplified model is well-suited to perform sensitivity analyses for studying the phenomena that lead to structural collapse. In particular, the simplified model is used to obtain a deeper understanding of the role played by geometric and material modeling parameters such as mesh size, inter-laminar strength, fracture toughness, and fracture mode mixity. Finally, a global/local damage analysis method is proposed in which a detailed local model is used to scan the global model to identify the locations that are most critical for damage tolerance.

Defects in Amorphous Semiconductors: The Case of Amorphous Indium Gallium Zinc Oxide

NASA Astrophysics Data System (ADS)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-05-01

Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a -IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal—metal or oxygen—oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a -IGZO, the most important point defects are metal—metal bonds (or small metal clusters) and peroxides (O - O single bonds). Electrons are captured by metal—metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a -IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive- and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.

LBM-EP: Lattice-Boltzmann method for fast cardiac electrophysiology simulation from 3D images.

PubMed

Rapaka, S; Mansi, T; Georgescu, B; Pop, M; Wright, G A; Kamen, A; Comaniciu, Dorin

2012-01-01

Current treatments of heart rhythm troubles require careful planning and guidance for optimal outcomes. Computational models of cardiac electrophysiology are being proposed for therapy planning but current approaches are either too simplified or too computationally intensive for patient-specific simulations in clinical practice. This paper presents a novel approach, LBM-EP, to solve any type of mono-domain cardiac electrophysiology models at near real-time that is especially tailored for patient-specific simulations. The domain is discretized on a Cartesian grid with a level-set representation of patient's heart geometry, previously estimated from images automatically. The cell model is calculated node-wise, while the transmembrane potential is diffused using Lattice-Boltzmann method within the domain defined by the level-set. Experiments on synthetic cases, on a data set from CESC'10 and on one patient with myocardium scar showed that LBM-EP provides results comparable to an FEM implementation, while being 10 - 45 times faster. Fast, accurate, scalable and requiring no specific meshing, LBM-EP paves the way to efficient and detailed models of cardiac electrophysiology for therapy planning.

Copper, zinc, gallium and germanium distributions in taenite lamellae of iron meteorites and their importance for cooling rate estimations

NASA Astrophysics Data System (ADS)

Braun-Dullaeus, Karl-Ulrich; Traxel, Kurt

1995-02-01

One method forestimating cooling rates of meteorite parent bodies is to model measured nickel distributions in taenite lamellae of iron meteorites. Goldstein and Ogilvie ( Geochim. Cosmochim. Acta29, 893, 1965) and Rasmussen ( Icarus45, 564, 1981) developed techniques based on this idea to examine the cooling history in the temperature range between ˜700 and ˜400°C. As a result of Instrumental Neutron Activation Analysis (INAA) Rasmussen et al. ( Meteoritics23, 105, 1988) postulated that some trace elements would also be good cooling rate indicators. They argued that elements with distinct diffusion behavior are sensitive to different temperature ranges. The new Heidelberg proton microprobe uses the method of Proton Induced X-ray Emission (PIXE) for elemental analysis. This microprobe is an appropriate instrument to measure distributions of trace elements with a spatial resolution of 2 μm. We demonstrated on the iron meteorites Cape York (Agpalilik), Toluca and Odessa that the elements copper, zinc, gallium and germanium imitate the profiles of nickel in taenite lamella. The interpretation of the Zn, Ga and Ge profiles leads to the conclusion that these elements undergo diffusion mechanisms comparable to those of Ni. The numerical simulation of Cu distributions with a simplified model points out that little new information can be obtained about the cooling history of the meteorites by modelling Cu profiles. To simulate Zn, Ga or Ge distributions, the use of ternary phase diagrams is necessary.

Ferrofluids: Modeling, numerical analysis, and scientific computation

NASA Astrophysics Data System (ADS)

Tomas, Ignacio

This dissertation presents some developments in the Numerical Analysis of Partial Differential Equations (PDEs) describing the behavior of ferrofluids. The most widely accepted PDE model for ferrofluids is the Micropolar model proposed by R.E. Rosensweig. The Micropolar Navier-Stokes Equations (MNSE) is a subsystem of PDEs within the Rosensweig model. Being a simplified version of the much bigger system of PDEs proposed by Rosensweig, the MNSE are a natural starting point of this thesis. The MNSE couple linear velocity u, angular velocity w, and pressure p. We propose and analyze a first-order semi-implicit fully-discrete scheme for the MNSE, which decouples the computation of the linear and angular velocities, is unconditionally stable and delivers optimal convergence rates under assumptions analogous to those used for the Navier-Stokes equations. Moving onto the much more complex Rosensweig's model, we provide a definition (approximation) for the effective magnetizing field h, and explain the assumptions behind this definition. Unlike previous definitions available in the literature, this new definition is able to accommodate the effect of external magnetic fields. Using this definition we setup the system of PDEs coupling linear velocity u, pressure p, angular velocity w, magnetization m, and magnetic potential ϕ We show that this system is energy-stable and devise a numerical scheme that mimics the same stability property. We prove that solutions of the numerical scheme always exist and, under certain simplifying assumptions, that the discrete solutions converge. A notable outcome of the analysis of the numerical scheme for the Rosensweig's model is the choice of finite element spaces that allow the construction of an energy-stable scheme. Finally, with the lessons learned from Rosensweig's model, we develop a diffuse-interface model describing the behavior of two-phase ferrofluid flows and present an energy-stable numerical scheme for this model. For a simplified version of this model and the corresponding numerical scheme we prove (in addition to stability) convergence and existence of solutions as by-product . Throughout this dissertation, we will provide numerical experiments, not only to validate mathematical results, but also to help the reader gain a qualitative understanding of the PDE models analyzed in this dissertation (the MNSE, the Rosenweig's model, and the Two-phase model). In addition, we also provide computational experiments to illustrate the potential of these simple models and their ability to capture basic phenomenological features of ferrofluids, such as the Rosensweig instability for the case of the two-phase model. In this respect, we highlight the incisive numerical experiments with the two-phase model illustrating the critical role of the demagnetizing field to reproduce physically realistic behavior of ferrofluids.

Less-simplified models of dark matter for direct detection and the LHC

NASA Astrophysics Data System (ADS)

Choudhury, Arghya; Kowalska, Kamila; Roszkowski, Leszek; Sessolo, Enrico Maria; Williams, Andrew J.

2016-04-01

We construct models of dark matter with suppressed spin-independent scattering cross section utilizing the existing simplified model framework. Even simple combinations of simplified models can exhibit interference effects that cause the tree level contribution to the scattering cross section to vanish, thus demonstrating that direct detection limits on simplified models are not robust when embedded in a more complicated and realistic framework. In general for fermionic WIMP masses ≳ 10 GeV direct detection limits on the spin-independent scattering cross section are much stronger than those coming from the LHC. However these model combinations, which we call less-simplified models, represent situations where LHC searches become more competitive than direct detection experiments even for moderate dark matter mass. We show that a complementary use of several searches at the LHC can strongly constrain the direct detection blind spots by setting limits on the coupling constants and mediators' mass. We derive the strongest limits for combinations of vector + scalar, vector + "squark", and "squark" + scalar mediator, and present the corresponding projections for the LHC 14 TeV for a number of searches: mono-jet, jets + missing energy, and searches for heavy vector resonances.

Description and availability of the SMARTS spectral model for photovoltaic applications

NASA Astrophysics Data System (ADS)

Myers, Daryl R.; Gueymard, Christian A.

2004-11-01

Limited spectral response range of photocoltaic (PV) devices requires device performance be characterized with respect to widely varying terrestrial solar spectra. The FORTRAN code "Simple Model for Atmospheric Transmission of Sunshine" (SMARTS) was developed for various clear-sky solar renewable energy applications. The model is partly based on parameterizations of transmittance functions in the MODTRAN/LOWTRAN band model family of radiative transfer codes. SMARTS computes spectra with a resolution of 0.5 nanometers (nm) below 400 nm, 1.0 nm from 400 nm to 1700 nm, and 5 nm from 1700 nm to 4000 nm. Fewer than 20 input parameters are required to compute spectral irradiance distributions including spectral direct beam, total, and diffuse hemispherical radiation, and up to 30 other spectral parameters. A spreadsheet-based graphical user interface can be used to simplify the construction of input files for the model. The model is the basis for new terrestrial reference spectra developed by the American Society for Testing and Materials (ASTM) for photovoltaic and materials degradation applications. We describe the model accuracy, functionality, and the availability of source and executable code. Applications to PV rating and efficiency and the combined effects of spectral selectivity and varying atmospheric conditions are briefly discussed.

Reduced equations of motion for quantum systems driven by diffusive Markov processes.

PubMed

Sarovar, Mohan; Grace, Matthew D

2012-09-28

The expansion of a stochastic Liouville equation for the coupled evolution of a quantum system and an Ornstein-Uhlenbeck process into a hierarchy of coupled differential equations is a useful technique that simplifies the simulation of stochastically driven quantum systems. We expand the applicability of this technique by completely characterizing the class of diffusive Markov processes for which a useful hierarchy of equations can be derived. The expansion of this technique enables the examination of quantum systems driven by non-Gaussian stochastic processes with bounded range. We present an application of this extended technique by simulating Stark-tuned Förster resonance transfer in Rydberg atoms with nonperturbative position fluctuations.

A generalized expression for lag-time in the gas-phase permeation of hollow tubes

NASA Technical Reports Server (NTRS)

Shah, K. K.; Nelson, H. G.; Johnson, D. L.; Hamaker, F. M.

1975-01-01

A generalized expression for the nonsteady-state parameter, lag-time, has been obtained from Fick's second law for gas-phase transport through hollow, cylindrical membranes. This generalized expression is simplified for three limiting cases of practical interest: (1) diffusion controlled transport, (2) phase boundary reaction control at the inlet surface, and (3) phase boundary reaction control at the outlet surface. In all three cases the lag-time expressions were found to be inversely proportional only to the diffusion coefficient and functionally dependent on the membrane radii. Finally, the lag-time expressions were applied to experimentally obtained lag-time data for alpha-phase titanium and alpha-phase iron.

Considering the reversibility of passive and reactive transport problems: Are forward-in-time and backward-in-time models ever equivalent?

NASA Astrophysics Data System (ADS)

Engdahl, N.

2017-12-01

Backward in time (BIT) simulations of passive tracers are often used for capture zone analysis, source area identification, and generation of travel time and age distributions. The BIT approach has the potential to become an immensely powerful tool for direct inverse modeling but the necessary relationships between the processes modeled in the forward and backward models have yet to be formally established. This study explores the time reversibility of passive and reactive transport models in a variety of 2D heterogeneous domains using particle-based random walk methods for the transport and nonlinear reaction steps. Distributed forward models are used to generate synthetic observations that form the initial conditions for the backward in time models and we consider both linear-flood and point injections. The results for passive travel time distributions show that forward and backward models are not exactly equivalent but that the linear-flood BIT models are reasonable approximations. Point based BIT models fall within the travel time range of the forward models, though their distributions can be distinctive in some cases. The BIT approximation is not as robust when nonlinear reactive transport is considered and we find that this reaction system is only exactly reversible under uniform flow conditions. We use a series of simplified, longitudinally symmetric, but heterogeneous, domains to illustrate the causes of these discrepancies between the two model types. Many of the discrepancies arise because diffusion is a "self-adjoint" operator, which causes mass to spread in the forward and backward models. This allows particles to enter low velocity regions in the both models, which has opposite effects in the forward and reverse models. It may be possible to circumvent some of these limitations using an anti-diffusion model to undo mixing when time is reversed, but this is beyond the capabilities of the existing Lagrangian methods.

Applying an economical scale-aware PDF-based turbulence closure model in NOAA NCEP GCMs

NASA Astrophysics Data System (ADS)

Belochitski, A.; Krueger, S. K.; Moorthi, S.; Bogenschutz, P.; Pincus, R.

2016-12-01

A novel unified representation of sub-grid scale (SGS) turbulence, cloudiness, and shallow convection is being implemented into the NOAA NCEP Global Forecasting System (GFS) general circulation model. The approach, known as Simplified High Order Closure (SHOC), is based on predicting a joint PDF of SGS thermodynamic variables and vertical velocity and using it to diagnose turbulent diffusion coefficients, SGS fluxes, condensation and cloudiness. Unlike other similar methods, only one new prognostic variable, turbulent kinetic energy (TKE), needs to be intoduced, making the technique computationally efficient.SHOC is now incorporated into a version of GFS, as well as into the next generation of the NCEP global model - NOAA Environmental Modeling System (NEMS). Turbulent diffusion coefficients computed by SHOC are now used in place of those produced by the boundary layer turbulence and shallow convection parameterizations. Large scale microphysics scheme is no longer used to calculate cloud fraction or the large-scale condensation/deposition. Instead, SHOC provides these variables. Radiative transfer parameterization uses cloudiness computed by SHOC.Outstanding problems include high level tropical cloud fraction being too high in SHOC runs, possibly related to the interaction of SHOC with condensate detrained from deep convection.Future work will consist of evaluating model performance and tuning the physics if necessary, by performing medium-range NWP forecasts with prescribed initial conditions, and AMIP-type climate tests with prescribed SSTs. Depending on the results, the model will be tuned or parameterizations modified. Next, SHOC will be implemented in the NCEP CFS, and tuned and evaluated for climate applications - seasonal prediction and long coupled climate runs. Impact of new physics on ENSO, MJO, ISO, monsoon variability, etc will be examined.

A Start Toward Micronucleus-Based Decompression Models; Altitude Decompression

NASA Technical Reports Server (NTRS)

Van Liew, H. D.; Conkin, Johnny

2007-01-01

Do gaseous micronuclei trigger the formation of bubbles in decompression sickness (DCS)? Most previous instructions for DCS prevention have been oriented toward supersaturated gas in tissue. We are developing a mathematical model that is oriented toward the expected behavior of micronuclei. The issue is simplified in altitude decompressions because the aviator or astronaut is exposed only to decompression, whereas in diving there is a compression before the decompression. The model deals with four variables: duration of breathing of 100% oxygen before going to altitude (O2 prebreathing), altitude of the exposure, exposure duration, and rate of ascent. Assumptions: a) there is a population of micronuclei of various sizes having a range of characteristics, b) micronuclei are stable until they grow to a certain critical nucleation radius, c) it takes time for gas to diffuse in or out of micronuclei, and d) all other variables being equal, growth of micronuclei upon decompression is more rapid at high altitude because of the rarified gas in the micronuclei. To estimate parameters, we use a dataset of 4,756 men in altitude chambers exposed to various combinations of the model s variables. The model predicts occurrence of DCS symptoms quite well. It is notable that both the altitude chamber data and the model show little effect of O2 prebreathing until it lasts more than 60 minutes; this is in contrast to a conventional idea that the benefit of prebreathing is directly due to exponential washout of tissue nitrogen. The delay in response to O2 prebreathing can be interpreted as time required for outward diffusion of nitrogen; when the micronuclei become small enough, they are disabled, either by crushing or because they cannot expand to a critical nucleation size when the subject ascends to altitude.

Wind-driving protostellar accretion discs - I. Formulation and parameter constraints

NASA Astrophysics Data System (ADS)

Königl, Arieh; Salmeron, Raquel; Wardle, Mark

2010-01-01

We study a model of weakly ionized, protostellar accretion discs that are threaded by a large-scale, ordered magnetic field and power a centrifugally driven wind. We consider the limiting case where the wind is the main repository of the excess disc angular momentum and generalize the radially localized disc model of Wardle & Königl, which focused on the ambipolar diffusion regime, to other field diffusivity regimes, notably Hall and Ohm. We present a general formulation of the problem for nearly Keplerian, vertically isothermal discs using both the conductivity-tensor and the multifluid approaches and simplify it to a normalized system of ordinary differential equations in the vertical space coordinate. We determine the relevant parameters of the problem and investigate, using the vertical-hydrostatic-equilibrium approximation and other simplifications, the parameter constraints on physically viable solutions for discs in which the neutral particles are dynamically well coupled to the field already at the mid-plane. When the charged particles constitute a two-component ion-electron plasma, one can identify four distinct sub-regimes in the parameter domain where the Hall diffusivity dominates and three sub-regimes in the Ohm-dominated domain. Two of the Hall sub-regimes can be characterized as being ambipolar diffusion-like and two as being Ohm-like: the properties of one member of the first pair of sub-regimes are identical to those of the ambipolar diffusion regime, whereas one member of the second pair has the same characteristics as one of the Ohm sub-regimes. All the Hall sub-regimes have Brb/|Bφb| (ratio of radial-to-azimuthal magnetic field amplitudes at the disc surface) >1, whereas in two Ohm sub-regimes this ratio is <1. When the two-component plasma consists, instead, of positively and negatively charged grains of equal mass, the entire Hall domain and one of the Ohm sub-regimes with Brb/|Bφb| < 1 disappear. All viable solutions require the mid-plane neutral-ion momentum exchange time to be shorter than the local orbital time. We also infer that vertical magnetic squeezing always dominates over gravitational tidal compression in this model. In a follow-up paper we will present exact solutions that test the results of this analysis in the Hall regime.

Effect of gravity field on the nonequilibrium/nonlinear chemical oscillation reactions

NASA Astrophysics Data System (ADS)

Fujieda, S.; Mori, Y.; Nakazawa, A.; Mogami, Y.

2001-01-01

Biological systems have evolved for a long time under the normal gravity. The Belousov-Zhabotinsky (BZ) reaction is a nonlinear chemical system far from the equilibrium that may be considered as a simplified chemical model of the biological systems so as to study the effect of gravity. The reaction solution is comprised of bromate in sulfuric acid as an oxidizing agent, 1,4-cyclohexanedione as an organic substrate, and ferroin as a metal catalyst. Chemical waves in the BZ reaction-diffusion system are visualized as blue and red patterns of ferriin and ferroin, respectively. After an improvement to the tubular reaction vessels in the experimental setup, the traveling velocity of chemical waves in aqueous solutions was measured in time series under normal gravity, microgravity, hyper-gravity, and normal gravity using the free-fall facility of JAMIC (Japan Microgravity Center), Hokkaido, Japan. Chemical patterns were collected as image data via CCD camera and analyzed by the software of NIH image after digitization. The estimated traveling velocity increased with increasing gravity as expected. It was clear experimentally that the traveling velocity of target patterns in reaction diffusion system was influenced by the effect of convection and correlated closely with the gravity field.

Analysis of Wind Turbine Simulation Models: Assessment of Simplified versus Complete Methodologies: Preprint

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

Honrubia-Escribano, A.; Jimenez-Buendia, F.; Molina-Garcia, A.

This paper presents the current status of simplified wind turbine models used for power system stability analysis. This work is based on the ongoing work being developed in IEC 61400-27. This international standard, for which a technical committee was convened in October 2009, is focused on defining generic (also known as simplified) simulation models for both wind turbines and wind power plants. The results of the paper provide an improved understanding of the usability of generic models to conduct power system simulations.

Magnetically responsive nanoparticles for drug delivery applications using low magnetic field strengths.

PubMed

McGill, Shayna L; Cuylear, Carla L; Adolphi, Natalie L; Osiński, Marek; Smyth, Hugh D C

2009-03-01

The purpose of this study is to investigate the potential of magnetic nanoparticles for enhancing drug delivery using a low oscillating magnetic field (OMF) strength. We investigated the ability of magnetic nanoparticles to cause disruption of a viscous biopolymer barrier to drug delivery and the potential to induce triggered release of drug conjugated to the surfaces of these particles. Various magnetic nanoparticles were screened for thermal response under a 295-kHz OMF with an amplitude of 3.1 kA/m. Based on thermal activity of particles screened, we selected the nanoparticles that displayed desired characteristics for evaluation in a simplified model of an extracellular barrier to drug delivery, using lambda DNA/HindIII. Results indicate that nanoparticles could be used to induce DNA breakage to enhance local diffusion of drugs, despite low temperatures of heating. Additional studies showed increased diffusion of quantum dots in this model by single-particle tracking methods. Bimane was conjugated to the surface of magnetic nanoparticles. Fluorescence and transmission electron microscope images of the conjugated nanoparticles indicated little change in the overall appearance of the nanoparticles. A release study showed greater drug release using OMF, while maintaining low bulk heating of the samples (T = 30 degrees C). This study indicates that lower magnetic field strengths may be successfully utilized for drug delivery applications as a method for drug delivery transport enhancement and drug release switches.

Weather data for simplified energy calculation methods. Volume II. Middle United States: TRY data

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

Olsen, A.R.; Moreno, S.; Deringer, J.

1984-08-01

The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 22 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels ofmore » detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.« less

A comparison of item response models for accuracy and speed of item responses with applications to adaptive testing.

PubMed

van Rijn, Peter W; Ali, Usama S

2017-05-01

We compare three modelling frameworks for accuracy and speed of item responses in the context of adaptive testing. The first framework is based on modelling scores that result from a scoring rule that incorporates both accuracy and speed. The second framework is the hierarchical modelling approach developed by van der Linden (2007, Psychometrika, 72, 287) in which a regular item response model is specified for accuracy and a log-normal model for speed. The third framework is the diffusion framework in which the response is assumed to be the result of a Wiener process. Although the three frameworks differ in the relation between accuracy and speed, one commonality is that the marginal model for accuracy can be simplified to the two-parameter logistic model. We discuss both conditional and marginal estimation of model parameters. Models from all three frameworks were fitted to data from a mathematics and spelling test. Furthermore, we applied a linear and adaptive testing mode to the data off-line in order to determine differences between modelling frameworks. It was found that a model from the scoring rule framework outperformed a hierarchical model in terms of model-based reliability, but the results were mixed with respect to correlations with external measures. © 2017 The British Psychological Society.

Flow distribution in parallel microfluidic networks and its effect on concentration gradient

PubMed Central

Guermonprez, Cyprien; Michelin, Sébastien; Baroud, Charles N.

2015-01-01

The architecture of microfluidic networks can significantly impact the flow distribution within its different branches and thereby influence tracer transport within the network. In this paper, we study the flow rate distribution within a network of parallel microfluidic channels with a single input and single output, using a combination of theoretical modeling and microfluidic experiments. Within the ladder network, the flow rate distribution follows a U-shaped profile, with the highest flow rate occurring in the initial and final branches. The contrast with the central branches is controlled by a single dimensionless parameter, namely, the ratio of hydrodynamic resistance between the distribution channel and the side branches. This contrast in flow rates decreases when the resistance of the side branches increases relative to the resistance of the distribution channel. When the inlet flow is composed of two parallel streams, one of which transporting a diffusing species, a concentration variation is produced within the side branches of the network. The shape of this concentration gradient is fully determined by two dimensionless parameters: the ratio of resistances, which determines the flow rate distribution, and the Péclet number, which characterizes the relative speed of diffusion and advection. Depending on the values of these two control parameters, different distribution profiles can be obtained ranging from a flat profile to a step distribution of solute, with well-distributed gradients between these two limits. Our experimental results are in agreement with our numerical model predictions, based on a simplified 2D advection-diffusion problem. Finally, two possible applications of this work are presented: the first one combines the present design with self-digitization principle to encapsulate the controlled concentration in nanoliter chambers, while the second one extends the present design to create a continuous concentration gradient within an open flow chamber. PMID:26487905

Analysis of Multivariate Experimental Data Using A Simplified Regression Model Search Algorithm

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert M.

2013-01-01

A new regression model search algorithm was developed that may be applied to both general multivariate experimental data sets and wind tunnel strain-gage balance calibration data. The algorithm is a simplified version of a more complex algorithm that was originally developed for the NASA Ames Balance Calibration Laboratory. The new algorithm performs regression model term reduction to prevent overfitting of data. It has the advantage that it needs only about one tenth of the original algorithm's CPU time for the completion of a regression model search. In addition, extensive testing showed that the prediction accuracy of math models obtained from the simplified algorithm is similar to the prediction accuracy of math models obtained from the original algorithm. The simplified algorithm, however, cannot guarantee that search constraints related to a set of statistical quality requirements are always satisfied in the optimized regression model. Therefore, the simplified algorithm is not intended to replace the original algorithm. Instead, it may be used to generate an alternate optimized regression model of experimental data whenever the application of the original search algorithm fails or requires too much CPU time. Data from a machine calibration of NASA's MK40 force balance is used to illustrate the application of the new search algorithm.

29 CFR 2520.104-48 - Alternative method of compliance for model simplified employee pensions-IRS Form 5305-SEP.

Code of Federal Regulations, 2010 CFR

2010-07-01

... employee pensions-IRS Form 5305-SEP. 2520.104-48 Section 2520.104-48 Labor Regulations Relating to Labor... compliance for model simplified employee pensions—IRS Form 5305-SEP. Under the authority of section 110 of... Security Act of 1974 in the case of a simplified employee pension (SEP) described in section 408(k) of the...

Experimental and numerical validation of the effective medium theory for the B-term band broadening in 1st and 2nd generation monolithic silica columns.

PubMed

Deridder, Sander; Vanmessen, Alison; Nakanishi, Kazuki; Desmet, Gert; Cabooter, Deirdre

2014-07-18

Effective medium theory (EMT) expressions for the B-term band broadening in monolithic silica columns are presented at the whole-column as well as at the mesoporous skeleton level. Given the bi-continuous nature of the monolithic medium, regular as well as inverse formulations of the EMT-expressions have been established. The established expressions were validated by applying them to a set of experimental effective diffusion (Deff)-data obtained via peak parking on a number of 1st and 2nd generation monolithic silica columns, as well as to a set of numerical diffusion simulations in a simplified monolithic column representation (tetrahedral skeleton model) with different external porosities and internal diffusion coefficients. The numerically simulated diffusion data can be very closely represented over a very broad range of zone retention factors (up to k″=80) using the established EMT-expressions, especially when using the inverse variant. The expressions also allow representing the experimentally measured effective diffusion data very closely. The measured Deff/Dmol-values were found to decrease significantly with increasing retention factor, in general going from about Deff/Dmol=0.55 to 0.65 at low k″ (k″≅1.5-3.8) to Deff/Dmol=0.25 at very high k″ (k″≅40-80). These values are significantly larger than observed in fully-porous and core-shell particles. The intra-skeleton diffusion coefficient (Dpz) was typically found to be of the order of Dpz/Dmol=0.4, compared to Dpz/Dmol=0.2-0.35 observed in most particle-based columns. These higher Dpz/Dmol values are the cause of the higher Deff/Dmol values observed. In addition, it also appears that the higher internal diffusion is linked to the higher porosity of the mesoporous skeleton that has a relatively open structure with relatively wide pores. The observed (weak) relation between Dpz/Dmol and the zone retention factor appears to be in good agreement with that predicted when applying the regular variant of the EMT-expression directly to the mesoporous skeleton level. Copyright © 2014 Elsevier B.V. All rights reserved.

Turbulent Flame Processes Via Diffusion Flame-Vortex Ring Interactions

NASA Technical Reports Server (NTRS)

Dahm, Werner J. A.; Chen, Shin-Juh; Silver, Joel A.; Piltch, Nancy D.; VanderWal, Randall L.

2001-01-01

Flame-vortex interactions are canonical configurations that can be used to study the underlying processes occurring in turbulent reacting flows. This configuration contains many of the fundamental aspects of the coupling between fluid dynamics and combustion that could be investigated with more controllable conditions than are possible under direct investigations of turbulent flames. Diffusion flame-vortex ring interaction contains many of the fundamental elements of flow, transport, combustion, and soot processes found in turbulent diffusion flames. Some of these elements include concentrated vorticity, entrainment and mixing, strain and nonequilibrium phenomena, diffusion and differential diffusion, partial premixing and diluent effects, soot formation and oxidation, and heat release effects. Such simplified flowfield allows the complex processes to be examined more closely and yet preserving the physical processes present in turbulent reacting flows. Furthermore, experimental results from the study of flame-vortex interactions are useful for the validation of numerical simulations and more importantly to deepen our understanding of the fundamental processes present in reacting flows. Experimental and numerical results obtained under microgravity conditions of the diffusion flame-vortex ring interaction are summarized in this paper. Results are obtained using techniques that include Flame Luminosity Imaging (FLI), Laser Soot-Mie Scattering (LSMS), Computational Fluid Dynamics and Combustion (CFDC), and Diode Laser Spectroscopy/Iterative Temperature with Assumed Chemistry (DLS/ITAC).

Methodology to estimate variations in solar radiation reaching densely forested slopes in mountainous terrain.

PubMed

Sypka, Przemysław; Starzak, Rafał; Owsiak, Krzysztof

2016-12-01

Solar radiation reaching densely forested slopes is one of the main factors influencing the water balance between the atmosphere, tree stands and the soil. It also has a major impact on site productivity, spatial arrangement of vegetation structure as well as forest succession. This paper presents a methodology to estimate variations in solar radiation reaching tree stands in a small mountain valley. Measurements taken in three inter-forest meadows unambiguously showed the relationship between the amount of solar insolation and the shading effect caused mainly by the contour of surrounding tree stands. Therefore, appropriate knowledge of elevation, aspect and tilt angles of the analysed planes had to be taken into consideration during modelling. At critical times, especially in winter, the diffuse and reflected components of solar radiation only reached some of the sites studied as the beam component of solar radiation was totally blocked by the densely forested mountain slopes in the neighbourhood. The cross-section contours and elevation angles of all obstructions are estimated from a digital surface model including both digital elevation model and the height of tree stands. All the parameters in a simplified, empirical model of the solar insolation reaching a given horizontal surface within the research valley are dependent on the sky view factor (SVF). The presented simplified, empirical model and its parameterisation scheme should be easily adaptable to different complex terrains or mountain valleys characterised by diverse geometry or spatial orientation. The model was developed and validated (R 2  = 0.92 , σ = 0.54) based on measurements taken at research sites located in the Silesian Beskid Mountain Range. A thorough understanding of the factors determining the amount of solar radiation reaching woodlands ought to considerably expand the knowledge of the water exchange balance within forest complexes as well as the estimation of site productivity.

A Simplified Approach to Measure the Effect of the Microvasculature in Diffusion-weighted MR Imaging Applied to Breast Tumors: Preliminary Results.

PubMed

Teruel, Jose R; Goa, Pål E; Sjøbakk, Torill E; Østlie, Agnes; Fjøsne, Hans E; Bathen, Tone F

2016-11-01

Purpose To evaluate the relative change of the apparent diffusion coefficient (ADC) at low- and medium-b-value regimens as a surrogate marker of microcirculation, to study its correlation with dynamic contrast agent-enhanced (DCE) magnetic resonance (MR) imaging-derived parameters, and to assess its potential for differentiation between malignant and benign breast tumors. Materials and Methods Ethics approval and informed consent were obtained. From May 2013 to June 2015, 61 patients diagnosed with either malignant or benign breast tumors were prospectively recruited. All patients were scanned with a 3-T MR imager, including diffusion-weighted imaging (DWI) and DCE MR imaging. Parametric analysis of DWI and DCE MR imaging was performed, including a proposed marker, relative enhanced diffusivity (RED). Spearman correlation was calculated between DCE MR imaging and DWI parameters, and the potential of the different DWI-derived parameters for differentiation between malignant and benign breast tumors was analyzed by dividing the sample into equally sized training and test sets. Optimal cut-off values were determined with receiver operating characteristic curve analysis in the training set, which were then used to evaluate the independent test set. Results RED had a Spearman rank correlation of 0.61 with the initial area under the curve calculated from DCE MR imaging. Furthermore, RED differentiated cancers from benign tumors with an overall accuracy of 90% (27 of 30) on the test set with 88.2% (15 of 17) sensitivity and 92.3% (12 of 13) specificity. Conclusion This study presents promising results introducing a simplified approach to assess results from a DWI protocol sensitive to the intravoxel incoherent motion effect by using only three b values. This approach could potentially aid in the differentiation, characterization, and monitoring of breast pathologies. © RSNA, 2016 Online supplemental material is available for this article.

A simplified parsimonious higher order multivariate Markov chain model

NASA Astrophysics Data System (ADS)

Wang, Chao; Yang, Chuan-sheng

2017-09-01

In this paper, a simplified parsimonious higher-order multivariate Markov chain model (SPHOMMCM) is presented. Moreover, parameter estimation method of TPHOMMCM is give. Numerical experiments shows the effectiveness of TPHOMMCM.

Analysis of Multivariate Experimental Data Using A Simplified Regression Model Search Algorithm

NASA Technical Reports Server (NTRS)

Ulbrich, Norbert Manfred

2013-01-01

A new regression model search algorithm was developed in 2011 that may be used to analyze both general multivariate experimental data sets and wind tunnel strain-gage balance calibration data. The new algorithm is a simplified version of a more complex search algorithm that was originally developed at the NASA Ames Balance Calibration Laboratory. The new algorithm has the advantage that it needs only about one tenth of the original algorithm's CPU time for the completion of a search. In addition, extensive testing showed that the prediction accuracy of math models obtained from the simplified algorithm is similar to the prediction accuracy of math models obtained from the original algorithm. The simplified algorithm, however, cannot guarantee that search constraints related to a set of statistical quality requirements are always satisfied in the optimized regression models. Therefore, the simplified search algorithm is not intended to replace the original search algorithm. Instead, it may be used to generate an alternate optimized regression model of experimental data whenever the application of the original search algorithm either fails or requires too much CPU time. Data from a machine calibration of NASA's MK40 force balance is used to illustrate the application of the new regression model search algorithm.

Interstellar clouds containing optically thin H2

NASA Technical Reports Server (NTRS)

Jura, M.

1975-01-01

The theory of Black and Delgarno that the relative populations of the excited rotational levels of H2 can be understood in terms of cascading following absorption in the Lyman and Werner bands is employed to infer the gas densities and radiation fields within diffuse interstellar clouds containing H2 that is optically thin in those bands. The procedure is described for computing the populations of the different rotation levels, the relative distribution among the different rotation levels of newly formed H2 is determined on the basis of five simplified models, and the rate of H2 formation is estimated. The results are applied to delta Ori, two components of iota Ori, the second components of rho Leo and zeta Ori, tau Sco, gamma Vel, and zeta Pup. The inferred parameters are summarized for each cloud.

Computer study the oxygen release from Al melts

NASA Astrophysics Data System (ADS)

Y Galashev, Alexander; Rakhmanova, Oksana R.

2018-02-01

The behavior of oxygen ions in the Al melts under action of a constant electric field was studied by molecular dynamics. The rate of O2- ions moving up from the cathode to the melt surface increases. The time of the first ion reaching the surface decreases with increase in O2- concentration. The Al and O2- self-diffusion coefficients increase with increasing concentration of ions in the system. The structure of the neighborhood of oxygen ions was studied in detail by statistical geometry. The distributions of truncated Voronoi polyhedra according to the number of faces and of faces according to the number of sides were determined. Simplified polyhedra were obtained after elimination of small-scale thermal fluctuations from the model. The picture of the oxygen ions final location can vary greatly depending on the boundary conditions and their application sequence.

Frequency distributions from birth, death, and creation processes.

PubMed

Bartley, David L; Ogden, Trevor; Song, Ruiguang

2002-01-01

The time-dependent frequency distribution of groups of individuals versus group size was investigated within a continuum approximation, assuming a simplified individual growth, death and creation model. The analogy of the system to a physical fluid exhibiting both convection and diffusion was exploited in obtaining various solutions to the distribution equation. A general solution was approximated through the application of a Green's function. More specific exact solutions were also found to be useful. The solutions were continually checked against the continuum approximation through extensive simulation of the discrete system. Over limited ranges of group size, the frequency distributions were shown to closely exhibit a power-law dependence on group size, as found in many realizations of this type of system, ranging from colonies of mutated bacteria to the distribution of surnames in a given population. As an example, the modeled distributions were successfully fit to the distribution of surnames in several countries by adjusting the parameters specifying growth, death and creation rates.

Calculating the Responses of Self-Powered Radiation Detectors.

NASA Astrophysics Data System (ADS)

Thornton, D. A.

Available from UMI in association with The British Library. The aim of this research is to review and develop the theoretical understanding of the responses of Self -Powered Radiation Detectors (SPDs) in Pressurized Water Reactors (PWRs). Two very different models are considered. A simple analytic model of the responses of SPDs to neutrons and gamma radiation is presented. It is a development of the work of several previous authors and has been incorporated into a computer program (called GENSPD), the predictions of which have been compared with experimental and theoretical results reported in the literature. Generally, the comparisons show reasonable consistency; where there is poor agreement explanations have been sought and presented. Two major limitations of analytic models have been identified; neglect of current generation in insulators and over-simplified electron transport treatments. Both of these are developed in the current work. A second model based on the Explicit Representation of Radiation Sources and Transport (ERRST) is presented and evaluated for several SPDs in a PWR at beginning of life. The model incorporates simulation of the production and subsequent transport of neutrons, gamma rays and electrons, both internal and external to the detector. Neutron fluxes and fuel power ratings have been evaluated with core physics calculations. Neutron interaction rates in assembly and detector materials have been evaluated in lattice calculations employing deterministic transport and diffusion methods. The transport of the reactor gamma radiation has been calculated with Monte Carlo, adjusted diffusion and point-kernel methods. The electron flux associated with the reactor gamma field as well as the internal charge deposition effects of the transport of photons and electrons have been calculated with coupled Monte Carlo calculations of photon and electron transport. The predicted response of a SPD is evaluated as the sum of contributions from individual response mechanisms.

Interpretation of light scattering and turbidity measurements in aggregated systems: effect of intra-cluster multiple-light scattering.

PubMed

Soos, Miroslav; Lattuada, Marco; Sefcik, Jan

2009-11-12

In this work we studied the effect of intracluster multiple-light scattering on the scattering properties of a population of fractal aggregates. To do so, experimental data of diffusion-limited aggregation for three polystyrene latexes with similar surface properties but different primary particle diameters (equal to 118, 420, and 810 nm) were obtained by static light scattering and by means of a spectrophotometer. In parallel, a population balance equation (PBE) model, which takes into account the effect of intracluster multiple-light scattering by solving the T-matrix and the mean-field version of T-matrix, was formulated and validated against time evolution of the root mean radius of gyration, , of the zero angle intensity of scattered light, I(0), and of the turbidity, tau. It was found that the mean-field version of the T-matrix theory is able to correctly predict the time evolution of all measured light scattering quantities for all sizes of primary particles without any adjustable parameter. The structure of the aggregates, characterized by fractal dimension, d(f), was independent of the primary particle size and equal to 1.7, which is in agreement with values found in literature. Since the mean-field version of the T-matrix theory used is rather complicated and requires advanced knowledge of cluster structure (i.e., the particle-particle correlation function), a simplified version of the light scattering model was proposed and tested. It was found that within the range of operating conditions investigated, the simplified version of the light scattering model was able to describe with reasonable accuracy the time evolution of all measured light scattering quantities of the cluster mass distribution (CMD) for all three sizes of primary particles and two values of the laser wavelength.

A New Strategy in Observer Modeling for Greenhouse Cucumber Seedling Growth

PubMed Central

Qiu, Quan; Zheng, Chenfei; Wang, Wenping; Qiao, Xiaojun; Bai, He; Yu, Jingquan; Shi, Kai

2017-01-01

State observer is an essential component in computerized control loops for greenhouse-crop systems. However, the current accomplishments of observer modeling for greenhouse-crop systems mainly focus on mass/energy balance, ignoring physiological responses of crops. As a result, state observers for crop physiological responses are rarely developed, and control operations are typically made based on experience rather than actual crop requirements. In addition, existing observer models require a large number of parameters, leading to heavy computational load and poor application feasibility. To address these problems, we present a new state observer modeling strategy that takes both environmental information and crop physiological responses into consideration during the observer modeling process. Using greenhouse cucumber seedlings as an instance, we sample 10 physiological parameters of cucumber seedlings at different time point during the exponential growth stage, and employ them to build growth state observers together with 8 environmental parameters. Support vector machine (SVM) acts as the mathematical tool for observer modeling. Canonical correlation analysis (CCA) is used to select the dominant environmental and physiological parameters in the modeling process. With the dominant parameters, simplified observer models are built and tested. We conduct contrast experiments with different input parameter combinations on simplified and un-simplified observers. Experimental results indicate that physiological information can improve the prediction accuracies of the growth state observers. Furthermore, the simplified observer models can give equivalent or even better performance than the un-simplified ones, which verifies the feasibility of CCA. The current study can enable state observers to reflect crop requirements and make them feasible for applications with simplified shapes, which is significant for developing intelligent greenhouse control systems for modern greenhouse production. PMID:28848565

A New Strategy in Observer Modeling for Greenhouse Cucumber Seedling Growth.

PubMed

Qiu, Quan; Zheng, Chenfei; Wang, Wenping; Qiao, Xiaojun; Bai, He; Yu, Jingquan; Shi, Kai

2017-01-01

State observer is an essential component in computerized control loops for greenhouse-crop systems. However, the current accomplishments of observer modeling for greenhouse-crop systems mainly focus on mass/energy balance, ignoring physiological responses of crops. As a result, state observers for crop physiological responses are rarely developed, and control operations are typically made based on experience rather than actual crop requirements. In addition, existing observer models require a large number of parameters, leading to heavy computational load and poor application feasibility. To address these problems, we present a new state observer modeling strategy that takes both environmental information and crop physiological responses into consideration during the observer modeling process. Using greenhouse cucumber seedlings as an instance, we sample 10 physiological parameters of cucumber seedlings at different time point during the exponential growth stage, and employ them to build growth state observers together with 8 environmental parameters. Support vector machine (SVM) acts as the mathematical tool for observer modeling. Canonical correlation analysis (CCA) is used to select the dominant environmental and physiological parameters in the modeling process. With the dominant parameters, simplified observer models are built and tested. We conduct contrast experiments with different input parameter combinations on simplified and un-simplified observers. Experimental results indicate that physiological information can improve the prediction accuracies of the growth state observers. Furthermore, the simplified observer models can give equivalent or even better performance than the un-simplified ones, which verifies the feasibility of CCA. The current study can enable state observers to reflect crop requirements and make them feasible for applications with simplified shapes, which is significant for developing intelligent greenhouse control systems for modern greenhouse production.

A novel simplified model for torsional vibration analysis of a series-parallel hybrid electric vehicle

NASA Astrophysics Data System (ADS)

Tang, Xiaolin; Yang, Wei; Hu, Xiaosong; Zhang, Dejiu

2017-02-01

In this study, based on our previous work, a novel simplified torsional vibration dynamic model is established to study the torsional vibration characteristics of a compound planetary hybrid propulsion system. The main frequencies of the hybrid driveline are determined. In contrast to vibration characteristics of the previous 16-degree of freedom model, the simplified model can be used to accurately describe the low-frequency vibration property of this hybrid powertrain. This study provides a basis for further vibration control of the hybrid powertrain during the process of engine start/stop.

Equivalent model optimization with cyclic correction approximation method considering parasitic effect for thermoelectric coolers.

PubMed

Wang, Ning; Chen, Jiajun; Zhang, Kun; Chen, Mingming; Jia, Hongzhi

2017-11-21

As thermoelectric coolers (TECs) have become highly integrated in high-heat-flux chips and high-power devices, the parasitic effect between component layers has become increasingly obvious. In this paper, a cyclic correction method for the TEC model is proposed using the equivalent parameters of the proposed simplified model, which were refined from the intrinsic parameters and parasitic thermal conductance. The results show that the simplified model agrees well with the data of a commercial TEC under different heat loads. Furthermore, the temperature difference of the simplified model is closer to the experimental data than the conventional model and the model containing parasitic thermal conductance at large heat loads. The average errors in the temperature difference between the proposed simplified model and the experimental data are no more than 1.6 K, and the error is only 0.13 K when the absorbed heat power Q c is equal to 80% of the maximum achievable absorbed heat power Q max . The proposed method and model provide a more accurate solution for integrated TECs that are small in size.

A Green's function method for two-dimensional reactive solute transport in a parallel fracture-matrix system

NASA Astrophysics Data System (ADS)

Chen, Kewei; Zhan, Hongbin

2018-06-01

The reactive solute transport in a single fracture bounded by upper and lower matrixes is a classical problem that captures the dominant factors affecting transport behavior beyond pore scale. A parallel fracture-matrix system which considers the interaction among multiple paralleled fractures is an extension to a single fracture-matrix system. The existing analytical or semi-analytical solution for solute transport in a parallel fracture-matrix simplifies the problem to various degrees, such as neglecting the transverse dispersion in the fracture and/or the longitudinal diffusion in the matrix. The difficulty of solving the full two-dimensional (2-D) problem lies in the calculation of the mass exchange between the fracture and matrix. In this study, we propose an innovative Green's function approach to address the 2-D reactive solute transport in a parallel fracture-matrix system. The flux at the interface is calculated numerically. It is found that the transverse dispersion in the fracture can be safely neglected due to the small scale of fracture aperture. However, neglecting the longitudinal matrix diffusion would overestimate the concentration profile near the solute entrance face and underestimate the concentration profile at the far side. The error caused by neglecting the longitudinal matrix diffusion decreases with increasing Peclet number. The longitudinal matrix diffusion does not have obvious influence on the concentration profile in long-term. The developed model is applied to a non-aqueous-phase-liquid (DNAPL) contamination field case in New Haven Arkose of Connecticut in USA to estimate the Trichloroethylene (TCE) behavior over 40 years. The ratio of TCE mass stored in the matrix and the injected TCE mass increases above 90% in less than 10 years.

A simplified model of the source channel of the Leksell GammaKnife tested with PENELOPE.

PubMed

Al-Dweri, Feras M O; Lallena, Antonio M; Vilches, Manuel

2004-06-21

Monte Carlo simulations using the code PENELOPE have been performed to test a simplified model of the source channel geometry of the Leksell GammaKnife. The characteristics of the radiation passing through the treatment helmets are analysed in detail. We have found that only primary particles emitted from the source with polar angles smaller than 3 degrees with respect to the beam axis are relevant for the dosimetry of the Gamma Knife. The photon trajectories reaching the output helmet collimators at (x, v, z = 236 mm) show strong correlations between rho = (x2 + y2)(1/2) and their polar angle theta, on one side, and between tan(-1)(y/x) and their azimuthal angle phi, on the other. This enables us to propose a simplified model which treats the full source channel as a mathematical collimator. This simplified model produces doses in good agreement with those found for the full geometry. In the region of maximal dose, the relative differences between both calculations are within 3%, for the 18 and 14 mm helmets, and 10%, for the 8 and 4 mm ones. Besides, the simplified model permits a strong reduction (larger than a factor 15) in the computational time.

Substrate Diffusion Heterogeneity Controls Bacterial Competition and Coexistence

NASA Astrophysics Data System (ADS)

Dechesne, A.; Or, D.; Smets, B. F.

2005-12-01

Diffusion has long been recognized as a key process affecting bacterial physiological functions ranging from nutrient uptake to removal of metabolic waste products. In the vadose zone, significant convective flows are limited and bacteria rely primarily on diffusion for nutrient supply. Even under relatively "wet" conditions (e.g. matric potentials -20 J/kg), soil water is fragmented and exists as thin liquid films or held in crevices imposing constraints on substrate diffusion. Our objective was to investigate the role of diffusion on soil microbial diversity, by focusing on one of the processes that shapes the structure of bacterial communities: competitive interactions. We used a simplified setup, in which the substrate (citrate) fluxes were controlled by different agar gels thicknesses and spatially heterogeneous diffusive pathways were created by an impermeable film with prescribed hole sizes and patterns. Our competition experiments involved two soil bacteria: Burkholderia xenovorans LB400 and Pseudomonas putida KT2440, which were tagged with different constitutive fluorescent markers, allowing for their on line microscopic detection. The growth parameters on citrate of these strains were thoroughly assessed. B. xenovorans LB400 is the weaker competitor. As a result, this strain was outcompeted by KT2440 under high substrate diffusivity and homogeneous conditions. Conversely, the disadvantage of the weakest competitor was not so marked under low substrate diffusivity condition. These results suggest that dry conditions in soil would provide conditions allowing the sustaining of weak bacterial competitors, resulting in the maintenance of high bacterial diversity.

Integrated three-dimensional shape and reflection properties measurement system.

PubMed

Krzesłowski, Jakub; Sitnik, Robert; Maczkowski, Grzegorz

2011-02-01

Creating accurate three-dimensional (3D) digitalized models of cultural heritage objects requires that information about surface geometry be integrated with measurements of other material properties like color and reflectance. Up until now, these measurements have been performed in laboratories using manually integrated (subjective) data analyses. We describe an out-of-laboratory bidirectional reflectance distribution function (BRDF) and 3D shape measurement system that implements shape and BRDF measurement in a single setup with BRDF uncertainty evaluation. The setup aligns spatial data with the angular reflectance distribution, yielding a better estimation of the surface's reflective properties by integrating these two modality measurements into one setup using a single detector. This approach provides a better picture of an object's intrinsic material features, which in turn produces a higher-quality digitalized model reconstruction. Furthermore, this system simplifies the data processing by combining structured light projection and photometric stereo. The results of our method of data analysis describe the diffusive and specular attributes corresponding to every measured geometric point and can be used to render intricate 3D models in an arbitrarily illuminated scene.

Impact of Seasonal Heat Accumulation on Operation of Geothermal Heat Pump System with Vertical Ground Heat Exchanger

NASA Astrophysics Data System (ADS)

Timofeev, D. V.; Malyavina, E. G.

2017-11-01

The subject of the investigation was to find out the influence of heat pump operation in summer on its function in winter. For this purpose a mathematical model of a ground coupled heat pump system has been developed and programmed. The mathematical model of a system ground heat exchanger uses the finite difference method to describe the heat transfer in soil and the analytical method to specify the heat transfer in the U-tubes heat exchanger. The thermal diffusivity by the heat transfer in the soil changes during gradual freezing of the pore moisture and thus slows soil freezing. The mathematical model of a heat pump includes the description of a scroll compressor and the simplified descriptions of the evaporator and condenser. The analysis showed that heating during the cold season and cooling in the warm season affect the average heat transfer medium temperature in the soil loop in the winter season. It has been also showed that the degree of this effect depends on the clay content in the soil.

Removal of acid blue 062 on aqueous solution using calcinated colemanite ore waste.

PubMed

Atar, Necip; Olgun, Asim

2007-07-19

Colemanite ore waste (CW) has been employed as adsorbent for the removal of acid blue 062 anionic dye (AB 062) from aqueous solution. The adsorption of AB 062 onto CW was examined with respect to contact time, calcination temperature, particle size, pH, adsorbent dosage and temperature. The physical and chemical properties of the CW, such as particle sizes and calcinations temperature, play important roles in dye adsorption. The dye adsorption largely depends on the initial pH of the solution with maximum uptake occurring at pH 1. Three simplified kinetics models, namely, pseudo-first order, pseudo-second order, and intraparticle diffusion models were tested to investigate the adsorption mechanisms. The kinetic adsorption of AB 062 on CW follows a pseudo-second order equation. The adsorption data have been analyzed using Langmuir and Freundlich isotherms. The results indicate that the Langmuir model provides the best correlation of the experimental data. Isotherms have also been used to obtain the thermodynamic parameters such as free energy, enthalpy and entropy of the adsorption of dye onto CW.

Modeling of surface temperature effects on mixed material migration in NSTX-U

NASA Astrophysics Data System (ADS)

Nichols, J. H.; Jaworski, M. A.; Schmid, K.

2016-10-01

NSTX-U will initially operate with graphite walls, periodically coated with thin lithium films to improve plasma performance. However, the spatial and temporal evolution of these films during and after plasma exposure is poorly understood. The WallDYN global mixed-material surface evolution model has recently been applied to the NSTX-U geometry to simulate the evolution of poloidally inhomogenous mixed C/Li/O plasma-facing surfaces. The WallDYN model couples local erosion and deposition processes with plasma impurity transport in a non-iterative, self-consistent manner that maintains overall material balance. Temperature-dependent sputtering of lithium has been added to WallDYN, utilizing an adatom sputtering model developed from test stand experimental data. Additionally, a simplified temperature-dependent diffusion model has been added to WallDYN so as to capture the intercalation of lithium into a graphite bulk matrix. The sensitivity of global lithium migration patterns to changes in surface temperature magnitude and distribution will be examined. The effect of intra-discharge increases in surface temperature due to plasma heating, such as those observed during NSTX Liquid Lithium Divertor experiments, will also be examined. Work supported by US DOE contract DE-AC02-09CH11466.

Influence of mass transfer resistance on overall nitrate removal rate in upflow sludge bed reactors.

PubMed

Ting, Wen-Huei; Huang, Ju-Sheng

2006-09-01

A kinetic model with intrinsic reaction kinetics and a simplified model with apparent reaction kinetics for denitrification in upflow sludge bed (USB) reactors were proposed. USB-reactor performance data with and without sludge wasting were also obtained for model verification. An independent batch study showed that the apparent kinetic constants k' did not differ from the intrinsic k but the apparent Ks' was significantly larger than the intrinsic Ks suggesting that the intra-granule mass transfer resistance can be modeled by changes in Ks. Calculations of the overall effectiveness factor, Thiele modulus, and Biot number combined with parametric sensitivity analysis showed that the influence of internal mass transfer resistance on the overall nitrate removal rate in USB reactors is more significant than the external mass transfer resistance. The simulated residual nitrate concentrations using the simplified model were in good agreement with the experimental data; the simulated results using the simplified model were also close to those using the kinetic model. Accordingly, the simplified model adequately described the overall nitrate removal rate and can be used for process design.

A physically based compact I-V model for monolayer TMDC channel MOSFET and DMFET biosensor.

PubMed

Rahman, Ehsanur; Shadman, Abir; Ahmed, Imtiaz; Khan, Saeed Uz Zaman; Khosru, Quazi D M

2018-06-08

In this work, a compact transport model has been developed for monolayer transition metal dichalcogenide (TMDC) channel MOSFET. The analytical model solves the Poisson's equation for the inversion charge density to get the electrostatic potential in the channel. Current is then calculated by solving the drift-diffusion equation. The model makes gradual channel approximation to simplify the solution procedure. The appropriate density of states obtained from the first principle density functional theory simulation has been considered to keep the model physically accurate for monolayer TMDC channel FET. The outcome of the model has been benchmarked against both experimental and numerical quantum simulation results with the help of a few fitting parameters. Using the compact model, detailed output and transfer characteristics of monolayer WSe 2 FET have been studied, and various performance parameters have been determined. The study confirms excellent ON and OFF state performances of monolayer WSe 2 FET which could be viable for the next generation high-speed, low power applications. Also, the proposed model has been extended to study the operation of a biosensor. A monolayer MoS 2 channel based dielectric modulated FET is investigated using the compact model for detection of a biomolecule in a dry environment.

A physically based compact I–V model for monolayer TMDC channel MOSFET and DMFET biosensor

NASA Astrophysics Data System (ADS)

Rahman, Ehsanur; Shadman, Abir; Ahmed, Imtiaz; Zaman Khan, Saeed Uz; Khosru, Quazi D. M.

2018-06-01

In this work, a compact transport model has been developed for monolayer transition metal dichalcogenide (TMDC) channel MOSFET. The analytical model solves the Poisson’s equation for the inversion charge density to get the electrostatic potential in the channel. Current is then calculated by solving the drift–diffusion equation. The model makes gradual channel approximation to simplify the solution procedure. The appropriate density of states obtained from the first principle density functional theory simulation has been considered to keep the model physically accurate for monolayer TMDC channel FET. The outcome of the model has been benchmarked against both experimental and numerical quantum simulation results with the help of a few fitting parameters. Using the compact model, detailed output and transfer characteristics of monolayer WSe2 FET have been studied, and various performance parameters have been determined. The study confirms excellent ON and OFF state performances of monolayer WSe2 FET which could be viable for the next generation high-speed, low power applications. Also, the proposed model has been extended to study the operation of a biosensor. A monolayer MoS2 channel based dielectric modulated FET is investigated using the compact model for detection of a biomolecule in a dry environment.

SUITABILITY OF USING IN VITRO AND COMPUTATIONALLY ESTIMATED PARAMETERS IN SIMPLIFIED PHARMACOKINETIC MODELS

EPA Science Inventory

A challenge in PBPK model development is estimating the parameters for absorption, distribution, metabolism, and excretion of the parent compound and metabolites of interest. One approach to reduce the number of parameters has been to simplify pharmacokinetic models by lumping p...

PLGA-based drug delivery systems: importance of the type of drug and device geometry.

PubMed

Klose, D; Siepmann, F; Elkharraz, K; Siepmann, J

2008-04-16

Different types of ibuprofen- and lidocaine-loaded, poly(lactic-co-glycolic acid) (PLGA)-based microparticles and thin, free films of various dimensions were prepared and physico-chemically characterized in vitro. The obtained experimental results were analyzed using mathematical theories based on Fick's second law of diffusion. Importantly, the initial drug loadings were low in all cases (4%, w/w), simplifying the mathematical treatment and minimizing potential effects of the acidic/basic nature of the two model drugs on polymer degradation. Interestingly, the type of drug and device geometry strongly affected the resulting release kinetics and relative importance of the involved mass transport mechanisms. For instance, the relative release rate was almost unaffected by the system size in the case of spherical microparticles, but strongly depended on the thickness of thin, free films, irrespective of the type of drug. Ibuprofen and lidocaine release was found to be primarily diffusion controlled from the investigated PLGA-based microparticles for all system sizes, whereas diffusion was only dominant in the case of the thinnest free films. Interestingly, the type of drug did not significantly affect the resulting polymer degradation kinetics. However, ibuprofen release was always much faster than lidocaine release for all system geometries and sizes. This can probably be attributed to attractive ionic interactions between protonated, positively charged lidocaine ions and negatively charged, deprotonated carboxylic end groups of PLGA, hindering drug diffusion. The determined apparent diffusion coefficients of the drugs clearly point out that the mobility of an active agent in PLGA-based delivery systems does not only depend on its own physico-chemical properties and the type of PLGA used, but also to a large extent on the size and shape of the device. This has to be carefully taken into account when developing/optimizing this type of advanced drug delivery systems.

Mass Transfer Cooling Near The Stagnation Point

NASA Technical Reports Server (NTRS)

Roberts, Leonard

1959-01-01

A simplified analysis is made of mass transfer cooling, that is, injection of a foreign gas, near the stagnation point for two-dimensional and axisymmetric bodies. The reduction in heat transfer is given in terms of the properties of the coolant gas and it is shown that the heat transfer may be reduced considerably by the introduction of a gas having appropriate thermal and diffusive properties. The mechanism by which heat transfer is reduced is discussed.

Practical modeling approaches for geological storage of carbon dioxide.

PubMed

Celia, Michael A; Nordbotten, Jan M

2009-01-01

The relentless increase of anthropogenic carbon dioxide emissions and the associated concerns about climate change have motivated new ideas about carbon-constrained energy production. One technological approach to control carbon dioxide emissions is carbon capture and storage, or CCS. The underlying idea of CCS is to capture the carbon before it emitted to the atmosphere and store it somewhere other than the atmosphere. Currently, the most attractive option for large-scale storage is in deep geological formations, including deep saline aquifers. Many physical and chemical processes can affect the fate of the injected CO2, with the overall mathematical description of the complete system becoming very complex. Our approach to the problem has been to reduce complexity as much as possible, so that we can focus on the few truly important questions about the injected CO2, most of which involve leakage out of the injection formation. Toward this end, we have established a set of simplifying assumptions that allow us to derive simplified models, which can be solved numerically or, for the most simplified cases, analytically. These simplified models allow calculation of solutions to large-scale injection and leakage problems in ways that traditional multicomponent multiphase simulators cannot. Such simplified models provide important tools for system analysis, screening calculations, and overall risk-assessment calculations. We believe this is a practical and important approach to model geological storage of carbon dioxide. It also serves as an example of how complex systems can be simplified while retaining the essential physics of the problem.

Revisiting the direct detection of dark matter in simplified models

NASA Astrophysics Data System (ADS)

Li, Tong

2018-07-01

In this work we numerically re-examine the loop-induced WIMP-nucleon scattering cross section for the simplified dark matter models and the constraint set by the latest direct detection experiment. We consider a fermion, scalar or vector dark matter component from five simplified models with leptophobic spin-0 mediators coupled only to Standard Model quarks and dark matter particles. The tree-level WIMP-nucleon cross sections in these models are all momentum-suppressed. We calculate the non-suppressed spin-independent WIMP-nucleon cross sections from loop diagrams and investigate the constrained space of dark matter mass and mediator mass by Xenon1T. The constraints from indirect detection and collider search are also discussed.

The influence of a wind tunnel on helicopter rotational noise: Formulation of analysis

NASA Technical Reports Server (NTRS)

Mosher, M.

1984-01-01

An analytical model is discussed that can be used to examine the effects of wind tunnel walls on helicopter rotational noise. A complete physical model of an acoustic source in a wind tunnel is described and a simplified version is then developed. This simplified model retains the important physical processes involved, yet it is more amenable to analysis. The simplified physical model is then modeled as a mathematical problem. An inhomogeneous partial differential equation with mixed boundary conditions is set up and then transformed into an integral equation. Details of generating a suitable Green's function and integral equation are included and the equation is discussed and also given for a two-dimensional case.

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

Majda, Andrew J.; Xing, Yulong; Mohammadian, Majid

Determining the finite-amplitude preconditioned states in the hurricane embryo, which lead to tropical cyclogenesis, is a central issue in contemporary meteorology. In the embryo there is competition between different preconditioning mechanisms involving hydrodynamics and moist thermodynamics, which can lead to cyclogenesis. Here systematic asymptotic methods from applied mathematics are utilized to develop new simplified moist multi-scale models starting from the moist anelastic equations. Three interesting multi-scale models emerge in the analysis. The balanced mesoscale vortex (BMV) dynamics and the microscale balanced hot tower (BHT) dynamics involve simplified balanced equations without gravity waves for vertical vorticity amplification due to moist heatmore » sources and incorporate nonlinear advective fluxes across scales. The BMV model is the central one for tropical cyclogenesis in the embryo. The moist mesoscale wave (MMW) dynamics involves simplified equations for mesoscale moisture fluctuations, as well as linear hydrostatic waves driven by heat sources from moisture and eddy flux divergences. A simplified cloud physics model for deep convection is introduced here and used to study moist axisymmetric plumes in the BHT model. A simple application in periodic geometry involving the effects of mesoscale vertical shear and moist microscale hot towers on vortex amplification is developed here to illustrate features of the coupled multi-scale models. These results illustrate the use of these models in isolating key mechanisms in the embryo in a simplified content.« less

Simplifying the interaction between cognitive models and task environments with the JSON Network Interface.

PubMed

Hope, Ryan M; Schoelles, Michael J; Gray, Wayne D

2014-12-01

Process models of cognition, written in architectures such as ACT-R and EPIC, should be able to interact with the same software with which human subjects interact. By eliminating the need to simulate the experiment, this approach would simplify the modeler's effort, while ensuring that all steps required of the human are also required by the model. In practice, the difficulties of allowing one software system to interact with another present a significant barrier to any modeler who is not also skilled at this type of programming. The barrier increases if the programming language used by the modeling software differs from that used by the experimental software. The JSON Network Interface simplifies this problem for ACT-R modelers, and potentially, modelers using other systems.

Phase space effects on fast ion distribution function modeling in tokamaks

NASA Astrophysics Data System (ADS)

Podestà, M.; Gorelenkova, M.; Fredrickson, E. D.; Gorelenkov, N. N.; White, R. B.

2016-05-01

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

Phase space effects on fast ion distribution function modeling in tokamaks

DOE Data Explorer

White, R. B. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Podesta, M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Gorelenkova, M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Fredrickson, E. D. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Gorelenkov, N. N. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

2016-06-01

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

A multiscale approach to modelling electrochemical processes occurring across the cell membrane with application to transmission of action potentials.

PubMed

Richardson, G

2009-09-01

By application of matched asymptotic expansions, a simplified partial differential equation (PDE) model for the dynamic electrochemical processes occurring in the vicinity of a membrane, as ions selectively permeate across it, is formally derived from the Poisson-Nernst-Planck equations of electrochemistry. It is demonstrated that this simplified model reduces itself, in the limit of a long thin axon, to the cable equation used by Hodgkin and Huxley to describe the propagation of action potentials in the unmyelinated squid giant axon. The asymptotic reduction from the simplified PDE model to the cable equation leads to insights that are not otherwise apparent; these include an explanation of why the squid giant axon attains a diameter in the region of 1 mm. The simplified PDE model has more general application than the Hodgkin-Huxley cable equation and can, e.g. be used to describe action potential propagation in myelinated axons and neuronal cell bodies.

A Simplified Model of Human Alcohol Metabolism That Integrates Biotechnology and Human Health into a Mass Balance Team Project

ERIC Educational Resources Information Center

Yang, Allen H. J.; Dimiduk, Kathryn; Daniel, Susan

2011-01-01

We present a simplified human alcohol metabolism model for a mass balance team project. Students explore aspects of engineering in biotechnology: designing/modeling biological systems, testing the design/model, evaluating new conditions, and exploring cutting-edge "lab-on-a-chip" research. This project highlights chemical engineering's impact on…

Examination of simplified travel demand model. [Internal volume forecasting model

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

Smith, R.L. Jr.; McFarlane, W.J.

1978-01-01

A simplified travel demand model, the Internal Volume Forecasting (IVF) model, proposed by Low in 1972 is evaluated as an alternative to the conventional urban travel demand modeling process. The calibration of the IVF model for a county-level study area in Central Wisconsin results in what appears to be a reasonable model; however, analysis of the structure of the model reveals two primary mis-specifications. Correction of the mis-specifications leads to a simplified gravity model version of the conventional urban travel demand models. Application of the original IVF model to ''forecast'' 1960 traffic volumes based on the model calibrated for 1970more » produces accurate estimates. Shortcut and ad hoc models may appear to provide reasonable results in both the base and horizon years; however, as shown by the IVF mode, such models will not always provide a reliable basis for transportation planning and investment decisions.« less

Efficient polarimetric BRDF model.

PubMed

Renhorn, Ingmar G E; Hallberg, Tomas; Boreman, Glenn D

2015-11-30

The purpose of the present manuscript is to present a polarimetric bidirectional reflectance distribution function (BRDF) model suitable for hyperspectral and polarimetric signature modelling. The model is based on a further development of a previously published four-parameter model that has been generalized in order to account for different types of surface structures (generalized Gaussian distribution). A generalization of the Lambertian diffuse model is presented. The pBRDF-functions are normalized using numerical integration. Using directional-hemispherical reflectance (DHR) measurements, three of the four basic parameters can be determined for any wavelength. This simplifies considerably the development of multispectral polarimetric BRDF applications. The scattering parameter has to be determined from at least one BRDF measurement. The model deals with linear polarized radiation; and in similarity with e.g. the facet model depolarization is not included. The model is very general and can inherently model extreme surfaces such as mirrors and Lambertian surfaces. The complex mixture of sources is described by the sum of two basic models, a generalized Gaussian/Fresnel model and a generalized Lambertian model. Although the physics inspired model has some ad hoc features, the predictive power of the model is impressive over a wide range of angles and scattering magnitudes. The model has been applied successfully to painted surfaces, both dull and glossy and also on metallic bead blasted surfaces. The simple and efficient model should be attractive for polarimetric simulations and polarimetric remote sensing.

Modeling diffuse sources of surface water contamination with plant protection products

NASA Astrophysics Data System (ADS)

Wendland, Sandra; Bock, Michael; Böhner, Jürgen; Lembrich, David

2015-04-01

Entries of chemical pollutants in surface waters are a serious environmental problem. Among water pollutants plant protection products (ppp) from farming practice are of major concern not only for water suppliers and environmental agencies, but also for farmers and industrial manufacturers. Lost chemicals no longer fulfill their original purpose on the field, but lead to severe damage of the environment and surface waters. Besides point-source inputs of chemical pollutants, the diffuse-source inputs from agricultural procedures play an important and not yet sufficiently studied role concerning water quality. The two most important factors for diffuse inputs are erosion and runoff. The latter usually occurs before erosion begins, and is thus often not visible in hindsight. Only if it has come to erosion, it is obvious to expect runoff in foresight at this area, too. In addition to numerous erosion models, there are also few applications to model runoff processes available. However, these conventional models utilize approximations of catchment parameters based on long-term average values or theoretically calculated concentration peaks which can only provide indications to relative amounts. Our study aims to develop and validate a simplified spatially-explicit dynamic model with high spatiotemporal resolution that enables to measure current and forecast runoff potential not only at catchment scale but field-differentiated. This method allows very precise estimations of runoff risks and supports risk reduction measures to be targeted before fields are treated. By focusing on water pathways occurring on arable land, targeted risk reduction measures like buffer strips at certain points and adapted ppp use can be taken early and pollution of rivers and other surface waters through transported pesticides, fertilizers and their products could be nearly avoided or largely minimized. Using a SAGA-based physical-parametric modeling approach, major factors influencing runoff (relief, soil properties, weather conditions and crop coverage) are represented. Water balance parameters are modeled in daily steps, taking into account relief determined discharge pathways, runoff velocity and number of field boundaries passed until receiving streams are reached. Model development is based on a comprehensive monitoring campaign at 3 smaller catchments in North Rhine-Westphalia (Germany), equipped with two gauges each, upstream and downstream, an optical Trios probe and four Isco-Samplers. The temporal high resolution monitoring of discharge, ppp, orthophosphate and nitrate-nitrogen enables an evaluation of runoff simulations in relation with rain events. First model results suggest that the simulation of surface runoff pathways enables a spatial-explicit identification of fields contributing to pollutant inputs. We assume that targeted actions on few fields will help solving the problem of diffuse inputs of ppp in our surface water to a considerable extent.

Image segmentation algorithm based on improved PCNN

NASA Astrophysics Data System (ADS)

Chen, Hong; Wu, Chengdong; Yu, Xiaosheng; Wu, Jiahui

2017-11-01

A modified simplified Pulse Coupled Neural Network (PCNN) model is proposed in this article based on simplified PCNN. Some work have done to enrich this model, such as imposing restrictions items of the inputs, improving linking inputs and internal activity of PCNN. A self-adaptive parameter setting method of linking coefficient and threshold value decay time constant is proposed here, too. At last, we realized image segmentation algorithm for five pictures based on this proposed simplified PCNN model and PSO. Experimental results demonstrate that this image segmentation algorithm is much better than method of SPCNN and OTSU.

A simplified model of the source channel of the Leksell GammaKnife® tested with PENELOPE

NASA Astrophysics Data System (ADS)

Al-Dweri, Feras M. O.; Lallena, Antonio M.; Vilches, Manuel

2004-06-01

Monte Carlo simulations using the code PENELOPE have been performed to test a simplified model of the source channel geometry of the Leksell GammaKnife®. The characteristics of the radiation passing through the treatment helmets are analysed in detail. We have found that only primary particles emitted from the source with polar angles smaller than 3° with respect to the beam axis are relevant for the dosimetry of the Gamma Knife. The photon trajectories reaching the output helmet collimators at (x, y, z = 236 mm) show strong correlations between rgr = (x2 + y2)1/2 and their polar angle thgr, on one side, and between tan-1(y/x) and their azimuthal angle phgr, on the other. This enables us to propose a simplified model which treats the full source channel as a mathematical collimator. This simplified model produces doses in good agreement with those found for the full geometry. In the region of maximal dose, the relative differences between both calculations are within 3%, for the 18 and 14 mm helmets, and 10%, for the 8 and 4 mm ones. Besides, the simplified model permits a strong reduction (larger than a factor 15) in the computational time.

Weather data for simplified energy calculation methods. Volume IV. United States: WYEC data

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

Olsen, A.R.; Moreno, S.; Deringer, J.

The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 23 cities using Weather Year for Energy Calculations (WYEC) source weather data. Considerable overlap is present in cities (21) covered by both the TRY and WYEC data. The weather data at each city hasmore » been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.« less

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

Podestà, M., E-mail: mpodesta@pppl.gov; Gorelenkova, M.; Fredrickson, E. D.

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions.more » The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.« less

Order Matters: Sequencing Scale-Realistic versus Simplified Models to Improve Science Learning

ERIC Educational Resources Information Center

Chen, Chen; Schneps, Matthew H.; Sonnert, Gerhard

2016-01-01

Teachers choosing between different models to facilitate students' understanding of an abstract system must decide whether to adopt a model that is simplified and striking or one that is realistic and complex. Only recently have instructional technologies enabled teachers and learners to change presentations swiftly and to provide for learning…

Entropy-based separation of yeast cells using a microfluidic system of conjoined spheres

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

Huang, Kai-Jian; Qin, S.-J., E-mail: shuijie.qin@gmail.com; Bai, Zhong-Chen

2013-11-21

A physical model is derived to create a biological cell separator that is based on controlling the entropy in a microfluidic system having conjoined spherical structures. A one-dimensional simplified model of this three-dimensional problem in terms of the corresponding effects of entropy on the Brownian motion of particles is presented. This dynamic mechanism is based on the Langevin equation from statistical thermodynamics and takes advantage of the characteristics of the Fokker-Planck equation. This mechanism can be applied to manipulate biological particles inside a microfluidic system with identical, conjoined, spherical compartments. This theoretical analysis is verified by performing a rapid andmore » a simple technique for separating yeast cells in these conjoined, spherical microfluidic structures. The experimental results basically match with our theoretical model and we further analyze the parameters which can be used to control this separation mechanism. Both numerical simulations and experimental results show that the motion of the particles depends on the geometrical boundary conditions of the microfluidic system and the initial concentration of the diffusing material. This theoretical model can be implemented in future biophysics devices for the optimized design of passive cell sorters.« less

Pore-scale simulation of CO2-water-rock interactions

NASA Astrophysics Data System (ADS)

Deng, H.; Molins, S.; Steefel, C. I.; DePaolo, D. J.

2017-12-01

In Geologic Carbon Storage (GCS) systems, the migration of scCO2 versus CO2-acidifed brine ultimately determines the extent of mineral trapping and caprock integrity, i.e. the long-term storage efficiency and security. While continuum scale multiphase reactive transport models are valuable for large scale investigations, they typically (over-)simplify pore-scale dynamics and cannot capture local heterogeneities that may be important. Therefore, pore-scale models are needed in order to provide mechanistic understanding of how fine scale structural variations and heterogeneous processes influence the transport and geochemistry in the context of multiphase flow, and to inform parameterization of continuum scale modeling. In this study, we investigate the interplay of different processes at pore scale (e.g. diffusion, reactions, and multiphase flow) through the coupling of a well-developed multiphase flow simulator with a sophisticated reactive transport code. The objectives are to understand where brine displaced by scCO2 will reside in a rough pore/fracture, and how the CO2-water-rock interactions may affect the redistribution of different phases. In addition, the coupled code will provide a platform for model testing in pore-scale multiphase reactive transport problems.

Effective equations governing an active poroelastic medium

PubMed Central

2017-01-01

In this work, we consider the spatial homogenization of a coupled transport and fluid–structure interaction model, to the end of deriving a system of effective equations describing the flow, elastic deformation and transport in an active poroelastic medium. The ‘active’ nature of the material results from a morphoelastic response to a chemical stimulant, in which the growth time scale is strongly separated from other elastic time scales. The resulting effective model is broadly relevant to the study of biological tissue growth, geophysical flows (e.g. swelling in coals and clays) and a wide range of industrial applications (e.g. absorbant hygiene products). The key contribution of this work is the derivation of a system of homogenized partial differential equations describing macroscale growth, coupled to transport of solute, that explicitly incorporates details of the structure and dynamics of the microscopic system, and, moreover, admits finite growth and deformation at the pore scale. The resulting macroscale model comprises a Biot-type system, augmented with additional terms pertaining to growth, coupled to an advection–reaction–diffusion equation. The resultant system of effective equations is then compared with other recent models under a selection of appropriate simplifying asymptotic limits. PMID:28293138

Modeling Neutral Densities Downstream of a Gridded Ion Thruster

NASA Technical Reports Server (NTRS)

Soulas, George C.

2010-01-01

The details of a model for determining the neutral density downstream of a gridded ion thruster are presented. An investigation of the possible sources of neutrals emanating from and surrounding a NEXT ion thruster determined that the most significant contributors to the downstream neutral density include discharge chamber neutrals escaping through the perforated grids, neutrals escaping from the neutralizer, and vacuum facility background neutrals. For the neutral flux through the grids, near- and far-field equations are presented for rigorously determining the neutral density downstream of a cylindrical aperture. These equations are integrated into a spherically-domed convex grid geometry with a hexagonal array of apertures for determining neutral densities downstream of the ion thruster grids. The neutrals escaping from an off-center neutralizer are also modeled assuming diffuse neutral emission from the neutralizer keeper orifice. Finally, the effect of the surrounding vacuum facility neutrals is included and assumed to be constant. The model is used to predict the neutral density downstream of a NEXT ion thruster with and without neutralizer flow and a vacuum facility background pressure. The impacts of past simplifying assumptions for predicting downstream neutral densities are also examined for a NEXT ion thruster.

The Large-scale Magnetic Fields of Thin Accretion Disks

NASA Astrophysics Data System (ADS)

Cao, Xinwu; Spruit, Hendrik C.

2013-03-01

Large-scale magnetic field threading an accretion disk is a key ingredient in the jet formation model. The most attractive scenario for the origin of such a large-scale field is the advection of the field by the gas in the accretion disk from the interstellar medium or a companion star. However, it is realized that outward diffusion of the accreted field is fast compared with the inward accretion velocity in a geometrically thin accretion disk if the value of the Prandtl number P m is around unity. In this work, we revisit this problem considering the angular momentum of the disk to be removed predominantly by the magnetically driven outflows. The radial velocity of the disk is significantly increased due to the presence of the outflows. Using a simplified model for the vertical disk structure, we find that even moderately weak fields can cause sufficient angular momentum loss via a magnetic wind to balance outward diffusion. There are two equilibrium points, one at low field strengths corresponding to a plasma-beta at the midplane of order several hundred, and one for strong accreted fields, β ~ 1. We surmise that the first is relevant for the accretion of weak, possibly external, fields through the outer parts of the disk, while the latter one could explain the tendency, observed in full three-dimensional numerical simulations, of strong flux bundles at the centers of disk to stay confined in spite of strong magnetororational instability turbulence surrounding them.

Net growth rate of continuum heterogeneous biofilms with inhibition kinetics.

PubMed

Gonzo, Elio Emilio; Wuertz, Stefan; Rajal, Veronica B

2018-01-01

Biofilm systems can be modeled using a variety of analytical and numerical approaches, usually by making simplifying assumptions regarding biofilm heterogeneity and activity as well as effective diffusivity. Inhibition kinetics, albeit common in experimental systems, are rarely considered and analytical approaches are either lacking or consider effective diffusivity of the substrate and the biofilm density to remain constant. To address this obvious knowledge gap an analytical procedure to estimate the effectiveness factor (dimensionless substrate mass flux at the biofilm-fluid interface) was developed for a continuum heterogeneous biofilm with multiple limiting-substrate Monod kinetics to different types of inhibition kinetics. The simple perturbation technique, previously validated to quantify biofilm activity, was applied to systems where either the substrate or the inhibitor is the limiting component, and cases where the inhibitor is a reaction product or the substrate also acts as the inhibitor. Explicit analytical equations are presented for the effectiveness factor estimation and, therefore, the calculation of biomass growth rate or limiting substrate/inhibitor consumption rate, for a given biofilm thickness. The robustness of the new biofilm model was tested using kinetic parameters experimentally determined for the growth of Pseudomonas putida CCRC 14365 on phenol. Several additional cases have been analyzed, including examples where the effectiveness factor can reach values greater than unity, characteristic of systems with inhibition kinetics. Criteria to establish when the effectiveness factor can reach values greater than unity in each of the cases studied are also presented.

A fast and high-sensitive dual-wavelength diffuse optical tomography system using digital lock-in photon-counting technique

NASA Astrophysics Data System (ADS)

Chen, Weiting; Yi, Xi; Zhao, Huijuan; Gao, Feng

2014-09-01

We presented a novel dual-wavelength diffuse optical imaging system which can perform 2-D or 3-D imaging fast and high-sensitively for monitoring the dynamic change of optical parameters. A newly proposed lock-in photon-counting detection method was adopted for week optical signal collection, which brought in excellent property as well as simplified geometry. Fundamental principles of the lock-in photon-counting detection were elaborately demonstrated, and the feasibility was strictly verified by the linearity experiment. Systemic performance of the prototype set up was experimentally accessed, including stray light rejection and inherent interference. Results showed that the system possessed superior anti-interference capability (under 0.58% in darkroom) compared with traditional photon-counting detection, and the crosstalk between two wavelengths was lower than 2.28%. For comprehensive assessment, 2-D phantom experiments towards relatively large dimension model (diameter of 4cm) were conducted. Different absorption targets were imaged to investigate detection sensitivity. Reconstruction image under all conditions was exciting, with a desirable SNR. Study on image quality v.s. integration time put forward a new method for accessing higher SNR with the sacrifice of measuring speed. In summary, the newly developed system showed great potential in promoting detection sensitivity as well as measuring speed. This will make substantial progress in dynamically tracking the blood concentration distribution in many clinical areas, such as small animal disease modeling, human brain activity research and thick tissues (for example, breast) diagnosis.

Monojet searches for MSSM simplified models

DOE PAGES

Arbey, Alexandre; Battaglia, Marco; Mahmoudi, Farvah

2016-09-12

We explore the implications of monojet searches at hadron colliders in the minimal supersymmetric extension of the Standard Model (MSSM). To quantify the impact of monojet searches, we consider simplified MSSM scenarios with neutralino dark matter. The monojet results of the LHC Run 1 are reinterpreted in the context of several MSSM simplified scenarios, and the complementarity with direct supersymmetry search results is highlighted. We also investigate the reach of monojet searches for the Run 2, as well as for future higher energy hadron colliders.

Shapes of Nonbuoyant Round Luminous Laminar-Jet Diffusion Flames in Coflowing Air. Appendix F

NASA Technical Reports Server (NTRS)

Lin, K.-C.; Faeth, G. M.; Urban, David L. (Technical Monitor)

2000-01-01

The shapes (luminous flame boundaries) of steady nonbuoyant round luminous hydrocarbon-fueled laminar-jet diffusion flames in coflowing air were studied both experimentally and theoretically. Flame shapes were measured from photographs of flames burning at low pressures in order to minimize the effects of buoyancy. Test conditions involved acetylene-, propylene. and 1,3-butadiene-fueled flames having initial reactant temperatures of 300 K, ambient pressures of 19-50 kPa, jet-exit Reynolds numbers of 18-121, and initial air/fuel velocity ratios of 0.22-32.45 to yield luminous flame lengths of 21-198 mm. The present flames were close to the laminar smoke point but were not soot emitting. Simple expressions to estimate the shapes of nonbuoyant laminar-jet diffusion flames in coflow were found by extending an earlier analysis of Mahalingam et al. These formulas provided a good correlation of present measurements except near the burner exit where self-similar approximations used in the simplified analysis are no longer appropriate.

Transurethral canine prostatectomy with a cylindrically diffusing fiber

NASA Astrophysics Data System (ADS)

Cromeens, Douglas M.; Johnson, Douglas E.; Price, Roger E.

1994-09-01

In this study, visual laser ablation of the prostate (VLAP) was performed on eight mongrel dogs utilizing a cylindrically diffusing fiber attached to a 1.06 neodymium:YAG (Nd:YAG) laser. All dogs received one continuous dose totaling 15,000 J (25 W for 10 min) applied from the vesical neck to the colliculus seminalis. There was no visible hemorrhage from the lasing intraoperatively in any dog. Postoperative recovery was uneventful with no dog experiencing urinary incontinence and only one incident of dysuria with urinary retention during their observation period. Gross and histopathologic examinations of serial sections of the prostate were performed from 2 hours to 7 weeks postoperatively and demonstrated a consistent spherical zone of destruction 2.9 cm (average) in diameter. We believe the simplified fiber placement and complete lack of postoperative complications in this small group of dogs suggest that the cylindrically diffusing fiber offers significant advantage over laterally deflecting fibers for transurethral prostatectomies in the dog.

Simplified analytical model and balanced design approach for light-weight wood-based structural panel in bending

Treesearch

Jinghao Li; John F. Hunt; Shaoqin Gong; Zhiyong Cai

2016-01-01

This paper presents a simplified analytical model and balanced design approach for modeling lightweight wood-based structural panels in bending. Because many design parameters are required to input for the model of finite element analysis (FEA) during the preliminary design process and optimization, the equivalent method was developed to analyze the mechanical...

Light propagation along the pericardium meridian at human wrist as evidenced by the optical experiment and Monte Carlo method.

PubMed

Jiang, Yi-fan; Chen, Chang-shui; Liu, Xiao-mei; Liu, Rong-ting; Liu, Song-hao

2015-04-01

To explore the characteristics of light propagation along the Pericardium Meridian and its surrounding areas at human wrist by using optical experiment and Monte Carlo method. An experiment was carried out to obtain the distribution of diffuse light on Pericardium Meridian line and its surrounding areas at the wrist, and then a simplified model based on the anatomical structure was proposed to simulate the light transportation within the same area by using Monte Carlo method. The experimental results showed strong accordance with the Monte Carlo simulation that the light propagation along the Pericardium Meridian had an advantage over its surrounding areas at the wrist. The advantage of light transport along Pericardium Merdian line was related to components and structure of tissue, also the anatomical structure of the area that the Pericardium Meridian line runs.

Quasi-Block Copolymers Based on a General Polymeric Chain Stopper.

PubMed

Sanguramath, Rajashekharayya A; Nealey, Paul F; Shenhar, Roy

2016-07-11

Quasi-block copolymers (q-BCPs) are block copolymers consisting of conventional and supramolecular blocks, in which the conventional block is end-terminated by a functionality that interacts with the supramolecular monomer (a "chain stopper" functionality). A new design of q-BCPs based on a general polymeric chain stopper, which consists of polystyrene end-terminated with a sulfonate group (PS-SO3 Li), is described. Through viscosity measurements and a detailed diffusion-ordered NMR spectroscopy study, it is shown that PS-SO3 Li can effectively cap two types of model supramolecular monomers to form q-BCPs in solution. Furthermore, differential scanning calorimetry data and structural characterization of thin films by scanning force microscopy suggests the existence of the q-BCP architecture in the melt. The new design considerably simplifies the synthesis of polymeric chain stoppers; thus promoting the utilization of q-BCPs as smart, nanostructured materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectrophotometric Method for Differentiation of Human Skin Melanoma. II. Diagnostic Characteristics

NASA Astrophysics Data System (ADS)

Petruk, V. G.; Ivanov, A. P.; Kvaternyuk, S. M.; Barunb, V. V.

2016-05-01

Experimental data on the spectral dependences of the optical diffuse reflection coefficient for skin from different people with melanoma or nevus are presented in the form of the probability density of the diffuse reflection coefficient for the corresponding pigmented lesions. We propose a noninvasive technique for differentiating between malignant and benign tumors, based on measuring the diffuse reflection coefficient for a specific patient and comparing the value obtained with a pre-set threshold. If the experimental result is below the threshold, then it is concluded that the person has melanoma; otherwise, no melanoma is present. As an example, we consider the wavelength 870 nm. We determine the risk of malignant transformation of a nevus (its transition to melanoma) for different measured diffuse reflection coefficients. We have studied the errors in the method, its operating characteristics and probability characteristics as the threshold diffuse reflection coefficient is varied. We find that the diagnostic confidence, sensitivity, specificity, and effectiveness (accuracy) parameters are maximum (>0.82) for a threshold of 0.45-0.47. The operating characteristics for the proposed technique exceed the corresponding parameters for other familiar optical approaches to melanoma diagnosis. Its distinguishing feature is operation at only one wavelength, and consequently implementation of the experimental technique is simplified and made less expensive.

A transport equation for the scalar dissipation in reacting flows with variable density: First results

NASA Technical Reports Server (NTRS)

Mantel, T.

1993-01-01

Although the different regimes of premixed combustion are not well defined, most of the recent developments in turbulent combustion modeling are led in the so-called flamelet regime. The goal of these models is to give a realistic expression to the mean reaction rate (w). Several methods can be used to estimate (w). Bray and coworkers (Libby & Bray 1980, Bray 1985, Bray & Libby 1986) express the instantaneous reaction rate by means of a flamelet library and a frequency which describes the local interaction between the laminar flamelets and the turbulent flowfield. In another way, the mean reaction rate can be directly connected to the flame surface density (Sigma). This quantity can be given by the transport equation of the coherent flame model initially proposed by Marble & Broadwell 1977 and developed elsewhere. The mean reaction rate, (w), can also be estimated thanks to the evolution of an arbitrary scalar field G(x, t) = G(sub O) which represents the flame sheet. G(x, t) is obtained from the G-equation proposed by Williams 1985, Kerstein et al. 1988 and Peters 1993. Another possibility proposed in a recent study by Mantel & Borghi 1991, where a transport equation for the mean dissipation rate (epsilon(sub c)) of the progress variable c is used to determine (w). In their model, Mantel & Borghi 1991 considered a medium with constant density and constant diffusivity in the determination of the transport equation for (epsilon(sub c)). A comparison of different flamelet models made by Duclos et al. 1993 shows the realistic behavior of this model even in the case of constant density. Our objective in this present report is to present preliminary results on the study of this equation in the case of variable density and variable diffusivity. Assumptions of constant pressure and a Lewis number equal to unity allow us to significantly simplify the equation. A systematic order of magnitude analysis based on adequate scale relations is performed on each term of the equation. As in the case of constant density and constant diffusivity, the effects of stretching of the scalar field by the turbulent strain field, of local curvature, and of chemical reactions are predominant. In this preliminary work, we suggest closure models for certain terms, which will be validated after comparisons with DNS data.

The influence of wind-tunnel walls on discrete frequency noise

NASA Technical Reports Server (NTRS)

Mosher, M.

1984-01-01

This paper describes an analytical model that can be used to examine the effects of wind-tunnel walls on discrete frequency noise. First, a complete physical model of an acoustic source in a wind tunnel is described, and a simplified version is then developed. This simplified model retains the important physical processes involved, yet it is more amenable to analysis. Second, the simplified physical model is formulated as a mathematical problem. An inhomogeneous partial differential equation with mixed boundary conditions is set up and then transformed into an integral equation. The integral equation has been solved with a panel program on a computer. Preliminary results from a simple model problem will be shown and compared with the approximate analytic solution.

Occurrence of dead core in catalytic particles containing immobilized enzymes: analysis for the Michaelis-Menten kinetics and assessment of numerical methods.

PubMed

Pereira, Félix Monteiro; Oliveira, Samuel Conceição

2016-11-01

In this article, the occurrence of dead core in catalytic particles containing immobilized enzymes is analyzed for the Michaelis-Menten kinetics. An assessment of numerical methods is performed to solve the boundary value problem generated by the mathematical modeling of diffusion and reaction processes under steady state and isothermal conditions. Two classes of numerical methods were employed: shooting and collocation. The shooting method used the ode function from Scilab software. The collocation methods included: that implemented by the bvode function of Scilab, the orthogonal collocation, and the orthogonal collocation on finite elements. The methods were validated for simplified forms of the Michaelis-Menten equation (zero-order and first-order kinetics), for which analytical solutions are available. Among the methods covered in this article, the orthogonal collocation on finite elements proved to be the most robust and efficient method to solve the boundary value problem concerning Michaelis-Menten kinetics. For this enzyme kinetics, it was found that the dead core can occur when verified certain conditions of diffusion-reaction within the catalytic particle. The application of the concepts and methods presented in this study will allow for a more generalized analysis and more accurate designs of heterogeneous enzymatic reactors.

The effects of capillary transit time heterogeneity (CTH) on brain oxygenation

PubMed Central

Angleys, Hugo; Østergaard, Leif; Jespersen, Sune N

2015-01-01

We recently extended the classic flow–diffusion equation, which relates blood flow to tissue oxygenation, to take capillary transit time heterogeneity (CTH) into account. Realizing that cerebral oxygen availability depends on both cerebral blood flow (CBF) and capillary flow patterns, we have speculated that CTH may be actively regulated and that changes in the capillary morphology and function, as well as in blood rheology, may be involved in the pathogenesis of conditions such as dementia and ischemia-reperfusion injury. The first extended flow–diffusion equation involved simplifying assumptions which may not hold in tissue. Here, we explicitly incorporate the effects of oxygen metabolism on tissue oxygen tension and extraction efficacy, and assess the extent to which the type of capillary transit time distribution affects the overall effects of CTH on flow–metabolism coupling reported earlier. After incorporating tissue oxygen metabolism, our model predicts changes in oxygen consumption and tissue oxygen tension during functional activation in accordance with literature reports. We find that, for large CTH values, a blood flow increase fails to cause significant improvements in oxygen delivery, and can even decrease it; a condition of malignant CTH. These results are found to be largely insensitive to the choice of the transit time distribution. PMID:25669911

Currency target-zone modeling: An interplay between physics and economics.

PubMed

Lera, Sandro Claudio; Sornette, Didier

2015-12-01

We study the performance of the euro-Swiss franc exchange rate in the extraordinary period from September 6, 2011 to January 15, 2015 when the Swiss National Bank enforced a minimum exchange rate of 1.20 Swiss francs per euro. Within the general framework built on geometric Brownian motions and based on the analogy between Brownian motion in finance and physics, the first-order effect of such a steric constraint would enter a priori in the form of a repulsive entropic force associated with the paths crossing the barrier that are forbidden. Nonparametric empirical estimates of drift and volatility show that the predicted first-order analogy between economics and physics is incorrect. The clue is to realize that the random-walk nature of financial prices results from the continuous anticipation of traders about future opportunities, whose aggregate actions translate into an approximate efficient market with almost no arbitrage opportunities. With the Swiss National Bank's stated commitment to enforce the barrier, traders' anticipation of this action leads to a vanishing drift together with a volatility of the exchange rate that depends on the distance to the barrier. This effect is described by Krugman's model [P. R. Krugman, Target zones and exchange rate dynamics, Q. J. Econ. 106, 669 (1991)]. We present direct quantitative empirical evidence that Krugman's theoretical model provides an accurate description of the euro-Swiss franc target zone. Motivated by the insights from the economic model, we revise the initial economics-physics analogy and show that, within the context of hindered diffusion, the two systems can be described with the same mathematics after all. Using a recently proposed extended analogy in terms of a colloidal Brownian particle embedded in a fluid of molecules associated with the underlying order book, we derive that, close to the restricting boundary, the dynamics of both systems is described by a stochastic differential equation with a very small constant drift and a linear diffusion coefficient. As a side result, we present a simplified derivation of the linear hydrodynamic diffusion coefficient of a Brownian particle close to a wall.

Currency target-zone modeling: An interplay between physics and economics

NASA Astrophysics Data System (ADS)

Lera, Sandro Claudio; Sornette, Didier

2015-12-01

We study the performance of the euro-Swiss franc exchange rate in the extraordinary period from September 6, 2011 to January 15, 2015 when the Swiss National Bank enforced a minimum exchange rate of 1.20 Swiss francs per euro. Within the general framework built on geometric Brownian motions and based on the analogy between Brownian motion in finance and physics, the first-order effect of such a steric constraint would enter a priori in the form of a repulsive entropic force associated with the paths crossing the barrier that are forbidden. Nonparametric empirical estimates of drift and volatility show that the predicted first-order analogy between economics and physics is incorrect. The clue is to realize that the random-walk nature of financial prices results from the continuous anticipation of traders about future opportunities, whose aggregate actions translate into an approximate efficient market with almost no arbitrage opportunities. With the Swiss National Bank's stated commitment to enforce the barrier, traders' anticipation of this action leads to a vanishing drift together with a volatility of the exchange rate that depends on the distance to the barrier. This effect is described by Krugman's model [P. R. Krugman, Target zones and exchange rate dynamics, Q. J. Econ. 106, 669 (1991), 10.2307/2937922]. We present direct quantitative empirical evidence that Krugman's theoretical model provides an accurate description of the euro-Swiss franc target zone. Motivated by the insights from the economic model, we revise the initial economics-physics analogy and show that, within the context of hindered diffusion, the two systems can be described with the same mathematics after all. Using a recently proposed extended analogy in terms of a colloidal Brownian particle embedded in a fluid of molecules associated with the underlying order book, we derive that, close to the restricting boundary, the dynamics of both systems is described by a stochastic differential equation with a very small constant drift and a linear diffusion coefficient. As a side result, we present a simplified derivation of the linear hydrodynamic diffusion coefficient of a Brownian particle close to a wall.

A local heat transfer analysis of lava cooling in the atmosphere: application to thermal diffusion-dominated lava flows

NASA Astrophysics Data System (ADS)

Neri, Augusto

1998-05-01

The local cooling process of thermal diffusion-dominated lava flows in the atmosphere was studied by a transient, one-dimensional heat transfer model taking into account the most relevant processes governing its behavior. Thermal diffusion-dominated lava flows include any type of flow in which the conductive-diffusive contribution in the energy equation largely overcomes the convective terms. This type of condition is supposed to be satisfied, during more or less extended periods of time, for a wide range of lava flows characterized by very low flow-rates, such as slabby and toothpaste pahoehoe, spongy pahoehoe, flow at the transition pahoehoe-aa, and flows from ephemeral vents. The analysis can be useful for the understanding of the effect of crust formation on the thermal insulation of the lava interior and, if integrated with adequate flow models, for the explanation of local features and morphologies of lava flows. The study is particularly aimed at a better knowledge of the complex non-linear heat transfer mechanisms that control lava cooling in the atmosphere and at the estimation of the most important parameters affecting the global heat transfer coefficient during the solidification process. The three fundamental heat transfer mechanisms with the atmosphere, that is radiation, natural convection, and forced convection by the wind, were modeled, whereas conduction and heat generation due to crystallization were considered within the lava. The magma was represented as a vesiculated binary melt with a given liquidus and solidus temperature and with the possible presence of a eutectic. The effects of different morphological features of the surface were investigated through a simplified description of their geometry. Model results allow both study of the formation in time of the crust and the thermal mushy layer underlying it, and a description of the behavior of the temperature distribution inside the lava as well as radiative and convective fluxes to the atmosphere. The analysis, performed by using parameters typical of Etnean lavas, particularly focuses on the non-intuitive relations between superficial cooling effects and inner temperature distribution as a function of the major variables involved in the cooling process. Results integrate recent modelings and measurements of the cooling process of Hawaiian pahoehoe flow lobes by Hon et al. (1994) and Keszthelyi and Denlinger (1996) and highlight the critical role played by surface morphology, lava thermal properties, and crystallization dynamics. Furthermore, the reported description of the various heat fluxes between lava and atmosphere can be extended to any other type of lava flows in which atmospheric cooling is involved.

An idealised study of the effects of small scales on chemistry in a two-dimensional turbulent flow.

NASA Astrophysics Data System (ADS)

Chaalal, F. Ait; Bartello, P.; Bourqui, M.

2009-04-01

The non-linear nature of stratospheric chemical reactions makes them sensitive to mixing and diffusion. Most stratospheric Climate-Chemistry Models neglect the effects of sub-grid flow structures on chemistry. Several previous studies have pointed out that such unresolved small scales could significantly affect the chemistry. However this problem has not been thoroughly studied from a theoretical point of view. To fulfill this gap, we investigate the interactions between advection, diffusion and chemistry for a simple bimolecular reaction between two initially unmixed reactants, within the framework of two-dimensional isotropic and homogenous turbulence. This is a highly simplified representation of quasi-isentropic mixing in the stratosphere. Our goal here is to describe and understand how the production rate of the product species is affected by the size of the smallest scales of the tracer field, as determined by the tracer diffusion coefficient ΰ. The spatial average of the prognostic equation for the product's concentration involves the covariance of the reactants. The time evolution of this covariance depends in turn on a dissipative term, and on second and third order chemical terms. The set of equations is not closed and any finite resolution model would need a parameterization of the dissipation and a closure hypothesis on the chemical terms. To study these terms, we perform ensembles of direct numerical simulations using a pseudo-spectral two-dimensional periodic model. The ensembles span different initial conditions of the flow and different tracer diffusion coefficients ΰ. Our results show a strong dependence of the total production on the diffusion coefficient. This production scales like ΰp(t) , where p(t) is a positive decreasing function of time. This scaling is very similar to the one found by Tan et al. (1998) for atmospheric flows on the deactivation of chlorine by nitrogen oxide at the southern edge of the winter time polar vortex. Furthermore, the time derivative of the reactants' covariance is found to be only very weakly dependent on the chemical reaction rate, for both slow and fast chemistries compared to the advection. The variations of the dissipation and of the chemical terms with the reaction speed compensate each other. As a consequence, the calculation of the product's concentration using the covariance of the dissipation without chemistry is a good approximation of the effect of diffusion with chemistry. Reference Tan, DGH; Haynes, PH; MacKenzie, AR; et al., Effects of fluid-dynamical stirring and mixing on the deactivation of stratospheric chlorine, Journal of Geophysical Research-Atmospheres, Volume: 103 Issue: D1 Pages: 1585-1605 (1998).

Two reference time scales for studying the dynamic cavitation of liquid films

NASA Technical Reports Server (NTRS)

Sun, D. C.; Brewe, D. E.

1992-01-01

Two formulas, one for the characteristic time of filling a void with the vapor of the surrounding liquid, and one of filling the void by diffusion of the dissolved gas in the liquid, are derived. By comparing these time scales with that of the dynamic operation of oil film bearings, it is concluded that the evaporation process is usually fast enough to fill the cavitation bubble with oil vapor; whereas the diffusion process is much too slow for the dissolved air to liberate itself and enter the cavitation bubble. These results imply that the formation of a two phase fluid in dynamically loaded bearings, as often reported in the literature, is caused by air entrainment. They further indicate a way to simplify the treatment of the dynamic problem of bubble evolution.

Approximation of super-ions for single-file diffusion of multiple ions through narrow pores.

PubMed

Kharkyanen, Valery N; Yesylevskyy, Semen O; Berezetskaya, Natalia M

2010-11-01

The general theory of the single-file multiparticle diffusion in the narrow pores could be greatly simplified in the case of inverted bell-like shape of the single-particle energy profile, which is often observed in biological ion channels. There is a narrow and deep groove in the energy landscape of multiple interacting ions in such profiles, which corresponds to the pre-defined optimal conduction pathway in the configurational space. If such groove exists, the motion of multiple ions can be reduced to the motion of single quasiparticle, called the superion, which moves in one-dimensional effective potential. The concept of the superions dramatically reduces the computational complexity of the problem and provides very clear physical interpretation of conduction phenomena in the narrow pores.

Numerical simulation and experimental study on farmland nitrogen loss to surface runoff in a raindrop driven process

NASA Astrophysics Data System (ADS)

Li, Jiayun; Tong, Juxiu; Xia, Chuanan; Hu, Bill X.; Zhu, Hao; Yang, Rui; Wei, Wenshuo

2017-06-01

It has been widely recognized that surface runoff from agricultural field is an important non-point pollution source, which however, the chemical transfer amount in the process is very difficult to be quantified in field since some variables and natural factors are hard to control, such as rainfall intensity, temperature, wind speeds and soil spatial heterogeneity, which may significantly affect the field experimental results. Therefore, a physically based nitrogen transport model was developed and tested with the so called semi-field experiments (i.e., artificial rainfall was used instead of natural rainfall, but other conditions were natural) in this paper. Our model integrated the raindrop driven process and diffusion effect with the simplified nitrogen chain reactions. In this model, chemicals in the soil surface layer, or the 'exchange layer', were transformed into the surface runoff layer due to raindrop impact. The raindrops also have a significant role on the diffusion process between the exchange layer and the underlying soil. The established mathematical model was solved numerically through the modified Hydrus-1d source code, and the model simulations agreed well with the experimental data. The modeling results indicate that the depth of the exchange layer and raindrop induced water transfer rate are two important parameters for the simulation results. Variation of the water transfer rate, er, can strongly influence the peak values of the NO-3-N and NH+4-N concentration breakthrough curves. The concentration of NO-3-N is more sensitive to the exchange layer depth, de, than NH+4-N. In general, the developed model well describes the nitrogen loss into surface runoff in a raindrop driven process. Since the raindrop splash erosion process may aggravate the loss of chemical fertilizer, choosing an appropriate fertilization time and application method is very important to prevent the pollution.

Recommendations on presenting LHC searches for missing transverse energy signals using simplified s-channel models of dark matter

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

Boveia, Antonio; Buchmueller, Oliver; Busoni, Giorgio

2016-03-14

This document summarises the proposal of the LHC Dark Matter Working Group on how to present LHC results on s-channel simplified dark matter models and to compare them to direct (indirect) detection experiments.

A simplified parsimonious higher order multivariate Markov chain model with new convergence condition

NASA Astrophysics Data System (ADS)

Wang, Chao; Yang, Chuan-sheng

2017-09-01

In this paper, we present a simplified parsimonious higher-order multivariate Markov chain model with new convergence condition. (TPHOMMCM-NCC). Moreover, estimation method of the parameters in TPHOMMCM-NCC is give. Numerical experiments illustrate the effectiveness of TPHOMMCM-NCC.

Dissipation models for central difference schemes

NASA Astrophysics Data System (ADS)

Eliasson, Peter

1992-12-01

In this paper different flux limiters are used to construct dissipation models. The flux limiters are usually of Total Variation Diminishing (TVD type and are applied to the characteristic variables for the hyperbolic Euler equations in one, two or three dimensions. A number of simplified dissipation models with a reduced number of limiters are considered to reduce the computational effort. The most simplified methods use only one limiter, the dissipation model by Jameson belongs to this class since the Jameson pressure switch is considered as a limiter, not TVD though. Other one-limiter models with TVD limiters are also investigated. Models in between the most simplified one-limiter models and the full model with limiters on all the different characteristics are considered where different dissipation models are applied to the linear and non-linear characteristcs. In this paper the theory by Yee is extended to a general explicit Runge-Kutta type of schemes.

Charging and Transport Dynamics of a Flow-Through Electrode Capacitive Deionization System.

PubMed

Qu, Yatian; Campbell, Patrick G; Hemmatifar, Ali; Knipe, Jennifer M; Loeb, Colin K; Reidy, John J; Hubert, Mckenzie A; Stadermann, Michael; Santiago, Juan G

2018-01-11

We present a study of the interplay among electric charging rate, capacitance, salt removal, and mass transport in "flow-through electrode" capacitive deionization (CDI) systems. We develop two models describing coupled transport and electro-adsorption/desorption which capture salt removal dynamics. The first model is a simplified, unsteady zero-dimensional volume-averaged model which identifies dimensionless parameters and figures of merits associated with cell performance. The second model is a higher fidelity area-averaged model which captures both spatial and temporal responses of charging. We further conducted an experimental study of these dynamics and considered two salt transport regimes: (1) advection-limited regime and (2) dispersion-limited regime. We use these data to validate models. The study shows that, in the advection-limited regime, differential charge efficiency determines the salt adsorption at the early stage of the deionization process. Subsequently, charging transitions to a quasi-steady state where salt removal rate is proportional to applied current scaled by the inlet flow rate. In the dispersion-dominated regime, differential charge efficiency, cell volume, and diffusion rates govern adsorption dynamics and flow rate has little effect. In both regimes, the interplay among mass transport rate, differential charge efficiency, cell capacitance, and (electric) charging current governs salt removal in flow-through electrode CDI.

Hybrid model based unified scheme for endoscopic Cerenkov and radio-luminescence tomography: Simulation demonstration

NASA Astrophysics Data System (ADS)

Wang, Lin; Cao, Xin; Ren, Qingyun; Chen, Xueli; He, Xiaowei

2018-05-01

Cerenkov luminescence imaging (CLI) is an imaging method that uses an optical imaging scheme to probe a radioactive tracer. Application of CLI with clinically approved radioactive tracers has opened an opportunity for translating optical imaging from preclinical to clinical applications. Such translation was further improved by developing an endoscopic CLI system. However, two-dimensional endoscopic imaging cannot identify accurate depth and obtain quantitative information. Here, we present an imaging scheme to retrieve the depth and quantitative information from endoscopic Cerenkov luminescence tomography, which can also be applied for endoscopic radio-luminescence tomography. In the scheme, we first constructed a physical model for image collection, and then a mathematical model for characterizing the luminescent light propagation from tracer to the endoscopic detector. The mathematical model is a hybrid light transport model combined with the 3rd order simplified spherical harmonics approximation, diffusion, and radiosity equations to warrant accuracy and speed. The mathematical model integrates finite element discretization, regularization, and primal-dual interior-point optimization to retrieve the depth and the quantitative information of the tracer. A heterogeneous-geometry-based numerical simulation was used to explore the feasibility of the unified scheme, which demonstrated that it can provide a satisfactory balance between imaging accuracy and computational burden.

Sources and distribution of NO(x) in the upper troposphere at northern midlatitudes

NASA Technical Reports Server (NTRS)

Rohrer, Franz; Ehhalt, Dieter H.; Wahner, Andreas

1994-01-01

A simple quasi 2-D model is used to study the zonal distribution of NO(x). The model includes vertical transport in form of eddy diffusion and deep convection, zonal transport by a vertically uniform wind, and a simplified chemistry of NO, NO2 and HNO3. The NO(x) sources considered are surface emissions (mostly from the combustion of fossil fuel), lightning, aircraft emissions, and downward transport from the stratosphere. The model is applied to the latitude band of 40 deg N to 50 deg N during the month of June; the contributions to the zonal NO(x) distribution from the individual sources and transport processes are investigated. The model predicted NO(x) concentration in the upper troposphere is dominated by air lofted from the polluted planetary boundary layer over the large industrial areas of Eastern North America and Europe. Aircraft emissions are also important and contribute on average 30 percent. Stratospheric input is minor about 10 percent, less even than that by lightning. The model provides a clear indication of intercontinental transport of NO(x) and HNO3 in the upper troposphere. Comparison of the modelled NO profiles over the Western Atlantic with those measured during STRATOZ 3 in 1984 shows good agreement at all altitudes.

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

Podesta, M.; Gorelenkova, M.; Fredrickson, E. D.

Here, integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities,ad-hocmodels can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. Themore » kick model implemented in the tokamaktransport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.« less

A 3-D SPH model for simulating water flooding of a damaged floating structure

NASA Astrophysics Data System (ADS)

Guo, Kai; Sun, Peng-nan; Cao, Xue-yan; Huang, Xiao

2017-10-01

With the quasi-static analysis method, the terminal floating state of a damaged ship is usually evaluated for the risk assessment. But this is not enough since the ship has the possibility to lose its stability during the transient flooding process. Therefore, an enhanced smoothed particle hydrodynamics (SPH) model is applied in this paper to investigate the response of a simplified cabin model under the condition of the transient water flooding. The enhanced SPH model is presented firstly including the governing equations, the diffusive terms, the boundary implementations and then an algorithm regarding the coupling motions of six degrees of freedom (6-DOF) between the structure and the fluid is described. In the numerical results, a non-damaged cabin floating under the rest condition is simulated. It is shown that a stable floating state can be reached and maintained by using the present SPH scheme. After that, three-dimensional (3-D) test cases of the damaged cabin with a hole at different locations are simulated. A series of model tests are also carried out for the validation. Fairly good agreements are achieved between the numerical results and the experimental data. Relevant conclusions are drawn with respect to the mechanism of the responses of the damaged cabin model under water flooding conditions.

A simplified model for glass formation

NASA Technical Reports Server (NTRS)

Uhlmann, D. R.; Onorato, P. I. K.; Scherer, G. W.

1979-01-01

A simplified model of glass formation based on the formal theory of transformation kinetics is presented, which describes the critical cooling rates implied by the occurrence of glassy or partly crystalline bodies. In addition, an approach based on the nose of the time-temperature-transformation (TTT) curve as an extremum in temperature and time has provided a relatively simple relation between the activation energy for viscous flow in the undercooled region and the temperature of the nose of the TTT curve. Using this relation together with the simplified model, it now seems possible to predict cooling rates using only the liquidus temperature, glass transition temperature, and heat of fusion.

Simplified models vs. effective field theory approaches in dark matter searches

NASA Astrophysics Data System (ADS)

De Simone, Andrea; Jacques, Thomas

2016-07-01

In this review we discuss and compare the usage of simplified models and Effective Field Theory (EFT) approaches in dark matter searches. We provide a state of the art description on the subject of EFTs and simplified models, especially in the context of collider searches for dark matter, but also with implications for direct and indirect detection searches, with the aim of constituting a common language for future comparisons between different strategies. The material is presented in a form that is as self-contained as possible, so that it may serve as an introductory review for the newcomer as well as a reference guide for the practitioner.

SModelS v1.1 user manual: Improving simplified model constraints with efficiency maps

NASA Astrophysics Data System (ADS)

Ambrogi, Federico; Kraml, Sabine; Kulkarni, Suchita; Laa, Ursula; Lessa, Andre; Magerl, Veronika; Sonneveld, Jory; Traub, Michael; Waltenberger, Wolfgang

2018-06-01

SModelS is an automatized tool for the interpretation of simplified model results from the LHC. It allows to decompose models of new physics obeying a Z2 symmetry into simplified model components, and to compare these against a large database of experimental results. The first release of SModelS, v1.0, used only cross section upper limit maps provided by the experimental collaborations. In this new release, v1.1, we extend the functionality of SModelS to efficiency maps. This increases the constraining power of the software, as efficiency maps allow to combine contributions to the same signal region from different simplified models. Other new features of version 1.1 include likelihood and χ2 calculations, extended information on the topology coverage, an extended database of experimental results as well as major speed upgrades for both the code and the database. We describe in detail the concepts and procedures used in SModelS v1.1, explaining in particular how upper limits and efficiency map results are dealt with in parallel. Detailed instructions for code usage are also provided.

Control and measurement of the physical properties in acrylamide based photopolymer materials

NASA Astrophysics Data System (ADS)

Close, Ciara E.; Gleeson, Michael R.; O'Neill, Feidhlim T.; Kelly, John V.; Sheridan, John T.

2005-06-01

Recent improvements in holographic materials have led to advances in a variety of applications, including data storage and interferometry. To further increase the possibility of commercial applications in these areas it is necessary to have available an inexpensive, self-processing, environmentally stable material that has a good spatial frequency response. One promising type of material is Acrylamide-based photopolymer recording materials. The material can be made self-processing and can be sensitised to different recording wavelengths using different photosensitive dyes. The self-processing capability of this material simplifies the recording and testing processes and enables holographic interferometry to be carried out without the need for complex realignment procedures. Although this material has a lot of advantages over others it has significant disadvantages such as its spatial frequency response range (500-2500 lines/mm). Therefore, it is of ever-increasing importance to resolve uncertainties regarding optical and material properties, i.e. the refractive index and the diffusion constants. Using experimental diffraction efficiency measurements, a value for the refractive index modulation can be obtained. Then carrying out analysis using the Polymerisation Driven Diffusion model (PDD) values for the diffusion coefficients of various materials in the grating layer can be found. Applying the Lorentz-Lorenz relation, refractive index variations within the material can be more fully understood. With the resulting improved understanding it will be possible to improve the characteristics of photopolymer materials by altering the chemical composition, for example by controlling the crosslinker concentration or through the careful use of inhibitor and/or retarders to control the polymer chain growth.

UNC-Utah NA-MIC framework for DTI fiber tract analysis.

PubMed

Verde, Audrey R; Budin, Francois; Berger, Jean-Baptiste; Gupta, Aditya; Farzinfar, Mahshid; Kaiser, Adrien; Ahn, Mihye; Johnson, Hans; Matsui, Joy; Hazlett, Heather C; Sharma, Anuja; Goodlett, Casey; Shi, Yundi; Gouttard, Sylvain; Vachet, Clement; Piven, Joseph; Zhu, Hongtu; Gerig, Guido; Styner, Martin

2014-01-01

Diffusion tensor imaging has become an important modality in the field of neuroimaging to capture changes in micro-organization and to assess white matter integrity or development. While there exists a number of tractography toolsets, these usually lack tools for preprocessing or to analyze diffusion properties along the fiber tracts. Currently, the field is in critical need of a coherent end-to-end toolset for performing an along-fiber tract analysis, accessible to non-technical neuroimaging researchers. The UNC-Utah NA-MIC DTI framework represents a coherent, open source, end-to-end toolset for atlas fiber tract based DTI analysis encompassing DICOM data conversion, quality control, atlas building, fiber tractography, fiber parameterization, and statistical analysis of diffusion properties. Most steps utilize graphical user interfaces (GUI) to simplify interaction and provide an extensive DTI analysis framework for non-technical researchers/investigators. We illustrate the use of our framework on a small sample, cross sectional neuroimaging study of eight healthy 1-year-old children from the Infant Brain Imaging Study (IBIS) Network. In this limited test study, we illustrate the power of our method by quantifying the diffusion properties at 1 year of age on the genu and splenium fiber tracts.

UNC-Utah NA-MIC framework for DTI fiber tract analysis

PubMed Central

Verde, Audrey R.; Budin, Francois; Berger, Jean-Baptiste; Gupta, Aditya; Farzinfar, Mahshid; Kaiser, Adrien; Ahn, Mihye; Johnson, Hans; Matsui, Joy; Hazlett, Heather C.; Sharma, Anuja; Goodlett, Casey; Shi, Yundi; Gouttard, Sylvain; Vachet, Clement; Piven, Joseph; Zhu, Hongtu; Gerig, Guido; Styner, Martin

2014-01-01

Diffusion tensor imaging has become an important modality in the field of neuroimaging to capture changes in micro-organization and to assess white matter integrity or development. While there exists a number of tractography toolsets, these usually lack tools for preprocessing or to analyze diffusion properties along the fiber tracts. Currently, the field is in critical need of a coherent end-to-end toolset for performing an along-fiber tract analysis, accessible to non-technical neuroimaging researchers. The UNC-Utah NA-MIC DTI framework represents a coherent, open source, end-to-end toolset for atlas fiber tract based DTI analysis encompassing DICOM data conversion, quality control, atlas building, fiber tractography, fiber parameterization, and statistical analysis of diffusion properties. Most steps utilize graphical user interfaces (GUI) to simplify interaction and provide an extensive DTI analysis framework for non-technical researchers/investigators. We illustrate the use of our framework on a small sample, cross sectional neuroimaging study of eight healthy 1-year-old children from the Infant Brain Imaging Study (IBIS) Network. In this limited test study, we illustrate the power of our method by quantifying the diffusion properties at 1 year of age on the genu and splenium fiber tracts. PMID:24409141

Diffusive-light invisibility cloak for transient illumination

NASA Astrophysics Data System (ADS)

Orazbayev, B.; Beruete, M.; Martínez, A.; García-Meca, C.

2016-12-01

Invisibility in a diffusive-light-scattering medium has been recently demonstrated by employing a scattering-cancellation core-shell cloak. Unlike nondiffusive cloaks, such a device can be simultaneously macroscopic, broadband, passive, polarization independent, and omnidirectional. Unfortunately, it has been verified that this cloak, as well as more sophisticated ones based on transformation optics, fail under pulsed illumination, invalidating their use for a variety of applications. Here, we introduce a different approach based on unimodular transformations that enables the construction of unidirectional diffusive-light cloaks exhibiting a perfect invisibility effect, even under transient conditions. Moreover, we demonstrate that a polygonal cloak can extend this functionality to multiple directions with a nearly ideal behavior, while preserving all other features. We propose and numerically verify a simple cloak realization based on a layered stack of two isotropic materials. The studied devices have several applications not addressable by any of the other cloaks proposed to date, including shielding from pulse-based detection techniques, cloaking undesired scattering elements in time-of-flight imaging or high-speed communication systems for diffusive environments, and building extreme optical security features. The discussed cloaking strategy could also be applied to simplify the implementation of thermal cloaks.

Towards the next generation of simplified Dark Matter models

NASA Astrophysics Data System (ADS)

Albert, Andreas; Bauer, Martin; Brooke, Jim; Buchmueller, Oliver; Cerdeño, David G.; Citron, Matthew; Davies, Gavin; de Cosa, Annapaola; De Roeck, Albert; De Simone, Andrea; Du Pree, Tristan; Flaecher, Henning; Fairbairn, Malcolm; Ellis, John; Grohsjean, Alexander; Hahn, Kristian; Haisch, Ulrich; Harris, Philip C.; Khoze, Valentin V.; Landsberg, Greg; McCabe, Christopher; Penning, Bjoern; Sanz, Veronica; Schwanenberger, Christian; Scott, Pat; Wardle, Nicholas

2017-06-01

This White Paper is an input to the ongoing discussion about the extension and refinement of simplified Dark Matter (DM) models. It is not intended as a comprehensive review of the discussed subjects, but instead summarises ideas and concepts arising from a brainstorming workshop that can be useful when defining the next generation of simplified DM models (SDMM). In this spirit, based on two concrete examples, we show how existing SDMM can be extended to provide a more accurate and comprehensive framework to interpret and characterise collider searches. In the first example we extend the canonical SDMM with a scalar mediator to include mixing with the Higgs boson. We show that this approach not only provides a better description of the underlying kinematic properties that a complete model would possess, but also offers the option of using this more realistic class of scalar mixing models to compare and combine consistently searches based on different experimental signatures. The second example outlines how a new physics signal observed in a visible channel can be connected to DM by extending a simplified model including effective couplings. In the next part of the White Paper we outline other interesting options for SDMM that could be studied in more detail in the future. Finally, we review important aspects of supersymmetric models for DM and use them to propose how to develop more complete SDMMs. This White Paper is a summary of the brainstorming meeting "Next generation of simplified Dark Matter models" that took place at Imperial College, London on May 6, 2016, and corresponding follow-up studies on selected subjects.

A Global 3D P-Velocity Model of the Earth’s Crust and Mantle for Improved Event Location

DTIC Science & Technology

2011-09-01

starting model, we use a simplified layer crustal model derived from the NNSA Unified model in Eurasia and Crust 2.0 model everywhere else, over a...geographic and radial dimensions. For our starting model, we use a simplified layer crustal model derived from the NNSA Unified model in Eurasia and...tessellation with 4° triangles to the transition zone and upper mantle, and a third tessellation with variable resolution to all crustal layers. The

Simplified versus geometrically accurate models of forefoot anatomy to predict plantar pressures: A finite element study.

PubMed

Telfer, Scott; Erdemir, Ahmet; Woodburn, James; Cavanagh, Peter R

2016-01-25

Integration of patient-specific biomechanical measurements into the design of therapeutic footwear has been shown to improve clinical outcomes in patients with diabetic foot disease. The addition of numerical simulations intended to optimise intervention design may help to build on these advances, however at present the time and labour required to generate and run personalised models of foot anatomy restrict their routine clinical utility. In this study we developed second-generation personalised simple finite element (FE) models of the forefoot with varying geometric fidelities. Plantar pressure predictions from barefoot, shod, and shod with insole simulations using simplified models were compared to those obtained from CT-based FE models incorporating more detailed representations of bone and tissue geometry. A simplified model including representations of metatarsals based on simple geometric shapes, embedded within a contoured soft tissue block with outer geometry acquired from a 3D surface scan was found to provide pressure predictions closest to the more complex model, with mean differences of 13.3kPa (SD 13.4), 12.52kPa (SD 11.9) and 9.6kPa (SD 9.3) for barefoot, shod, and insole conditions respectively. The simplified model design could be produced in <1h compared to >3h in the case of the more detailed model, and solved on average 24% faster. FE models of the forefoot based on simplified geometric representations of the metatarsal bones and soft tissue surface geometry from 3D surface scans may potentially provide a simulation approach with improved clinical utility, however further validity testing around a range of therapeutic footwear types is required. Copyright © 2015 Elsevier Ltd. All rights reserved.

Precession and circularization of elliptical space-tether motion

NASA Technical Reports Server (NTRS)

Chapel, Jim D.; Grosserode, Patrick

1993-01-01

In this paper, we present a simplified analytic model for predicting motion of long space tethers. The perturbation model developed here addresses skip rope motion, where each end of the tether is held in place and the middle of the tether swings with a motion similar to that of a child's skip rope. If the motion of the tether midpoint is elliptical rather than circular, precession of the ellipse complicates the procedures required to damp this motion. The simplified analytic model developed in this paper parametrically predicts the precession of elliptical skip rope motion. Furthermore, the model shows that elliptic skip rope motion will circularize when damping is present in the longitudinal direction. Compared with high-fidelity simulation results, this simplified model provides excellent predictions of these phenomena.

A young supernova remnant illuminating nearby molecular clouds with cosmic rays

NASA Astrophysics Data System (ADS)

Cui, Y.; Pühlhofer, G.; Santangelo, A.

2016-06-01

The supernova remnant (SNR) HESS J1731-347 displays strong nonthermal TeV γ-ray and X-ray emission, thus the object is presently accelerating particles to very high energies. A distinctive feature of this young SNR is the nearby (~30 pc in projection) extended source HESS J1729-345, which is currently unidentified but is in spatial projection coinciding with known molecular clouds (MC). We model the SNR evolution to explore whether the TeV emission from HESS J1729-345 can be explained as emission from runaway hadronic cosmic rays (CRs) that are illuminating these MCs. The observational data of HESS J1729-345 and HESS J1731-347 can be reproduced using core-collapse SN models for HESS J1731-347. Starting with different progenitor stars and their presupernova environment, we model potential SNR evolution histories along with the CR acceleration in the SNR and the diffusion of the CRs. A simplified three-dimensional structure of the MCs is introduced based on data of that region, adopting a distance of 3.2 kpc to the source. A Monte Carlo based diffusion model for the escaping CRs is developed to deal with the inhomogeneous environment. The fast SNR forward shock speed, as implied from the X-ray data, can easily be explained when employing scenarios with progenitor star masses between 20 M⊙ and 25 M⊙, where the SNR shock is still expanding inside the main-sequence (MS) bubble at present time. The TeV spectrum of HESS J1729-345 is satisfactorily fitted by the emission from the highest energy CRs that have escaped the SNR, using a standard Galactic CR diffusion coefficient in the interclump medium. The TeV image of HESS J1729-345 can be explained with a reasonable three-dimensional structure of MCs. The TeV emission from the SNR itself is dominated by leptonic emission in this model. We also explore scenarios where the shock is starting to encounter the dense MS progenitor wind bubble shell. The escaping hadronic CR hypothesis for the γ-ray emission of HESS J1729-345 can still hold,but even in this case our model cannot easily account for the TeV emission from HESS J1731-347 in a hadronic scenario.

Coarse mesh and one-cell block inversion based diffusion synthetic acceleration

NASA Astrophysics Data System (ADS)

Kim, Kang-Seog

DSA (Diffusion Synthetic Acceleration) has been developed to accelerate the SN transport iteration. We have developed solution techniques for the diffusion equations of FLBLD (Fully Lumped Bilinear Discontinuous), SCB (Simple Comer Balance) and UCB (Upstream Corner Balance) modified 4-step DSA in x-y geometry. Our first multi-level method includes a block Gauss-Seidel iteration for the discontinuous diffusion equation, uses the continuous diffusion equation derived from the asymptotic analysis, and avoids void cell calculation. We implemented this multi-level procedure and performed model problem calculations. The results showed that the FLBLD, SCB and UCB modified 4-step DSA schemes with this multi-level technique are unconditionally stable and rapidly convergent. We suggested a simplified multi-level technique for FLBLD, SCB and UCB modified 4-step DSA. This new procedure does not include iterations on the diffusion calculation or the residual calculation. Fourier analysis results showed that this new procedure was as rapidly convergent as conventional modified 4-step DSA. We developed new DSA procedures coupled with 1-CI (Cell Block Inversion) transport which can be easily parallelized. We showed that 1-CI based DSA schemes preceded by SI (Source Iteration) are efficient and rapidly convergent for LD (Linear Discontinuous) and LLD (Lumped Linear Discontinuous) in slab geometry and for BLD (Bilinear Discontinuous) and FLBLD in x-y geometry. For 1-CI based DSA without SI in slab geometry, the results showed that this procedure is very efficient and effective for all cases. We also showed that 1-CI based DSA in x-y geometry was not effective for thin mesh spacings, but is effective and rapidly convergent for intermediate and thick mesh spacings. We demonstrated that the diffusion equation discretized on a coarse mesh could be employed to accelerate the transport equation. Our results showed that coarse mesh DSA is unconditionally stable and is as rapidly convergent as fine mesh DSA in slab geometry. For x-y geometry our coarse mesh DSA is very effective for thin and intermediate mesh spacings independent of the scattering ratio, but is not effective for purely scattering problems and high aspect ratio zoning. However, if the scattering ratio is less than about 0.95, this procedure is very effective for all mesh spacing.

Improved heat transfer modeling of the eye for electromagnetic wave exposures.

PubMed

Hirata, Akimasa

2007-05-01

This study proposed an improved heat transfer model of the eye for exposure to electromagnetic (EM) waves. Particular attention was paid to the difference from the simplified heat transfer model commonly used in this field. From our computational results, the temperature elevation in the eye calculated with the simplified heat transfer model was largely influenced by the EM absorption outside the eyeball, but not when we used our improved model.

Simplified models for Higgs physics: singlet scalar and vector-like quark phenomenology

DOE PAGES

Dolan, Matthew J.; Hewett, J. L.; Krämer, M.; ...

2016-07-08

Simplified models provide a useful tool to conduct the search and exploration of physics beyond the Standard Model in a model-independent fashion. In this study, we consider the complementarity of indirect searches for new physics in Higgs couplings and distributions with direct searches for new particles, using a simplified model which includes a new singlet scalar resonance and vector-like fermions that can mix with the SM top-quark. We fit this model to the combined ATLAS and CMS 125 GeV Higgs production and coupling measurements and other precision electroweak constraints, and explore in detail the effects of the new matter contentmore » upon Higgs production and kinematics. Finally, we highlight some novel features and decay modes of the top partner phenomenology, and discuss prospects for Run II.« less

Interpretation of searches for supersymmetry with simplified models

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

Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.

The results of searches for supersymmetry by the CMS experiment are interpreted in the framework of simplified models. The results are based on data corresponding to an integrated luminosity of 4.73 to 4.98 inverse femtobarns. The data were collected at the LHC in proton-proton collisions at a center-of-mass energy of 7 TeV. This paper describes the method of interpretation and provides upper limits on the product of the production cross section and branching fraction as a function of new particle masses for a number of simplified models. These limits and the corresponding experimental acceptance calculations can be used to constrainmore » other theoretical models and to compare different supersymmetry-inspired analyses.« less

Putting proteins back into water

NASA Astrophysics Data System (ADS)

de Los Rios, Paolo; Caldarelli, Guido

2000-12-01

We introduce a simplified protein model where the solvent (water) degrees of freedom appear explicitly (although in an extremely simplified fashion). Using this model we are able to recover the thermodynamic phenomenology of proteins over a wide range of temperatures. In particular we describe both the warm and the cold protein denaturation within a single framework, while addressing important issues about the structure of model proteins.

Verification of a Byzantine-Fault-Tolerant Self-stabilizing Protocol for Clock Synchronization

NASA Technical Reports Server (NTRS)

Malekpour, Mahyar R.

2008-01-01

This paper presents the mechanical verification of a simplified model of a rapid Byzantine-fault-tolerant self-stabilizing protocol for distributed clock synchronization systems. This protocol does not rely on any assumptions about the initial state of the system except for the presence of sufficient good nodes, thus making the weakest possible assumptions and producing the strongest results. This protocol tolerates bursts of transient failures, and deterministically converges within a time bound that is a linear function of the self-stabilization period. A simplified model of the protocol is verified using the Symbolic Model Verifier (SMV). The system under study consists of 4 nodes, where at most one of the nodes is assumed to be Byzantine faulty. The model checking effort is focused on verifying correctness of the simplified model of the protocol in the presence of a permanent Byzantine fault as well as confirmation of claims of determinism and linear convergence with respect to the self-stabilization period. Although model checking results of the simplified model of the protocol confirm the theoretical predictions, these results do not necessarily confirm that the protocol solves the general case of this problem. Modeling challenges of the protocol and the system are addressed. A number of abstractions are utilized in order to reduce the state space.

Mechanically detected terahertz electron spin resonance using SOI-based thin piezoresistive microcantilevers

NASA Astrophysics Data System (ADS)

Ohmichi, Eiji; Miki, Toshihiro; Horie, Hidekazu; Okamoto, Tsubasa; Takahashi, Hideyuki; Higashi, Yoshinori; Itoh, Shoichi; Ohta, Hitoshi

2018-02-01

We developed piezoresistive microcantilevers for mechanically detected electron spin resonance (ESR) in the millimeter-wave region. In this article, fabrication process and device characterization of our self-sensing microcantilevers are presented. High-frequency ESR measurements of a microcrystal of paramagnetic sample is also demonstrated at multiple frequencies up to 160 GHz at liquid helium temperature. Our fabrication is based on relatively simplified processes with silicon-on-insulator (SOI) wafers and spin-on diffusion doping, thus enabling cost-effective and time-saving cantilever fabrication.

Selection theory of free dendritic growth in a potential flow.

PubMed

von Kurnatowski, Martin; Grillenbeck, Thomas; Kassner, Klaus

2013-04-01

The Kruskal-Segur approach to selection theory in diffusion-limited or Laplacian growth is extended via combination with the Zauderer decomposition scheme. This way nonlinear bulk equations become tractable. To demonstrate the method, we apply it to two-dimensional crystal growth in a potential flow. We omit the simplifying approximations used in a preliminary calculation for the same system [Fischaleck, Kassner, Europhys. Lett. 81, 54004 (2008)], thus exhibiting the capability of the method to extend mathematical rigor to more complex problems than hitherto accessible.

Decreasing Kd uncertainties through the application of thermodynamic sorption models.

PubMed

Domènech, Cristina; García, David; Pękala, Marek

2015-09-15

Radionuclide retardation processes during transport are expected to play an important role in the safety assessment of subsurface disposal facilities for radioactive waste. The linear distribution coefficient (Kd) is often used to represent radionuclide retention, because analytical solutions to the classic advection-diffusion-retardation equation under simple boundary conditions are readily obtainable, and because numerical implementation of this approach is relatively straightforward. For these reasons, the Kd approach lends itself to probabilistic calculations required by Performance Assessment (PA) calculations. However, it is widely recognised that Kd values derived from laboratory experiments generally have a narrow field of validity, and that the uncertainty of the Kd outside this field increases significantly. Mechanistic multicomponent geochemical simulators can be used to calculate Kd values under a wide range of conditions. This approach is powerful and flexible, but requires expert knowledge on the part of the user. The work presented in this paper aims to develop a simplified approach of estimating Kd values whose level of accuracy would be comparable with those obtained by fully-fledged geochemical simulators. The proposed approach consists of deriving simplified algebraic expressions by combining relevant mass action equations. This approach was applied to three distinct geochemical systems involving surface complexation and ion-exchange processes. Within bounds imposed by model simplifications, the presented approach allows radionuclide Kd values to be estimated as a function of key system-controlling parameters, such as the pH and mineralogy. This approach could be used by PA professionals to assess the impact of key geochemical parameters on the variability of radionuclide Kd values. Moreover, the presented approach could be relatively easily implemented in existing codes to represent the influence of temporal and spatial changes in geochemistry on Kd values. Copyright © 2015 Elsevier B.V. All rights reserved.

SF-FDTD analysis of a predictive physical model for parallel aligned liquid crystal devices

NASA Astrophysics Data System (ADS)

Márquez, Andrés.; Francés, Jorge; Martínez, Francisco J.; Gallego, Sergi; Alvarez, Mariela L.; Calzado, Eva M.; Pascual, Inmaculada; Beléndez, Augusto

2017-08-01

Recently we demonstrated a novel and simplified model enabling to calculate the voltage dependent retardance provided by parallel aligned liquid crystal devices (PA-LCoS) for a very wide range of incidence angles and any wavelength in the visible. To our knowledge it represents the most simplified approach still showing predictive capability. Deeper insight into the physics behind the simplified model is necessary to understand if the parameters in the model are physically meaningful. Since the PA-LCoS is a black-box where we do not have information about the physical parameters of the device, we cannot perform this kind of analysis using the experimental retardance measurements. In this work we develop realistic simulations for the non-linear tilt of the liquid crystal director across the thickness of the liquid crystal layer in the PA devices. We consider these profiles to have a sine-like shape, which is a good approximation for typical ranges of applied voltage in commercial PA-LCoS microdisplays. For these simulations we develop a rigorous method based on the split-field finite difference time domain (SF-FDTD) technique which provides realistic retardance values. These values are used as the experimental measurements to which the simplified model is fitted. From this analysis we learn that the simplified model is very robust, providing unambiguous solutions when fitting its parameters. We also learn that two of the parameters in the model are physically meaningful, proving a useful reverse-engineering approach, with predictive capability, to probe into internal characteristics of the PA-LCoS device.

An advanced model of heat and mass transfer in the protective clothing - verification

NASA Astrophysics Data System (ADS)

Łapka, P.; Furmański, P.

2016-09-01

The paper presents an advanced mathematical and numerical models of heat and mass transfer in the multi-layers protective clothing and in elements of the experimental stand subjected to either high surroundings temperature or high radiative heat flux emitted by hot objects. The model included conductive-radiative heat transfer in the hygroscopic porous fabrics and air gaps as well as conductive heat transfer in components of the stand. Additionally, water vapour diffusion in the pores and air spaces as well as phase transition of the bound water in the fabric fibres (sorption and desorption) were accounted for. The thermal radiation was treated in the rigorous way e.g.: semi-transparent absorbing, emitting and scattering fabrics were assumed a non-grey and all optical phenomena at internal or external walls were modelled. The air was assumed transparent. Complex energy and mass balance as well as optical conditions at internal or external interfaces were formulated in order to find exact values of temperatures, vapour densities and radiation intensities at these interfaces. The obtained highly non-linear coupled system of discrete equation was solve by the in-house iterative algorithm which was based on the Finite Volume Method. The model was then successfully partially verified against the results obtained from commercial software for simplified cases.

Major role of nutrient supply in the control of picophytoplankton community structure

NASA Astrophysics Data System (ADS)

Mouriño, B.; Agusti, S.; Bode, A.; Cermeno, P.; Chouciño, P.; da Silva, J. C. B.; Fernández-Castro, B.; Gasol, J.; Gil Coto, M.; Graña, R.; Latasa, M.; Lubián, L.; Marañón, E.; Moran, X. A.; Moreno, E.; Moreira-Coello, V.; Otero-Ferrer, J. L.; Ruiz Villarreal, M.; Scharek, R.; Vallina, S. M.; Varela, M.; Villamaña, M.

2016-02-01

The Margalef's mandala (1978) is a simplified bottom-up control model that explains how mixing and nutrient concentration determine the composition of marine phytoplankton communities. Due to the difficulties of measuring turbulence in the field, previous attempts to verify this model have applied different proxies for nutrient supply, and very often used interchangeably the terms mixing and stratification. Moreover, because the mandala was conceived before the discovery of smaller phytoplankton groups (picoplankton <2 μm), it describes only the succession of vegetative phases of microplankton. In order to test the applicability of the classical mandala to picoplankton groups, we used a multidisciplinary approach including specifically designed field observations supported by remote sensing, database analyses, and modeling and laboratory chemostat experiments. Simultaneous estimates of nitrate diffusive fluxes, derived from microturbulence observations, and picoplankton abundance collected in more than 200 stations, spanning widely different hydrographic regimes, showed that the contribution of eukaryotes to picoautotrophic biomass increases with nutrient supply, whereas that of picocyanobacteria shows the opposite trend. These findings were supported by laboratory and modeling chemostat experiments that reproduced the competitive dynamics between picoeukaryote sand picocyanobacteria as a function of changing nutrient supply. Our results indicate that nutrient supply controls the distribution of picoplankton functional groups in the ocean, further supporting the model proposed by Margalef.

An improved non-Markovian degradation model with long-term dependency and item-to-item uncertainty

NASA Astrophysics Data System (ADS)

Xi, Xiaopeng; Chen, Maoyin; Zhang, Hanwen; Zhou, Donghua

2018-05-01

It is widely noted in the literature that the degradation should be simplified into a memoryless Markovian process for the purpose of predicting the remaining useful life (RUL). However, there actually exists the long-term dependency in the degradation processes of some industrial systems, including electromechanical equipments, oil tankers, and large blast furnaces. This implies the new degradation state depends not only on the current state, but also on the historical states. Such dynamic systems cannot be accurately described by traditional Markovian models. Here we present an improved non-Markovian degradation model with both the long-term dependency and the item-to-item uncertainty. As a typical non-stationary process with dependent increments, fractional Brownian motion (FBM) is utilized to simulate the fractal diffusion of practical degradations. The uncertainty among multiple items can be represented by a random variable of the drift. Based on this model, the unknown parameters are estimated through the maximum likelihood (ML) algorithm, while a closed-form solution to the RUL distribution is further derived using a weak convergence theorem. The practicability of the proposed model is fully verified by two real-world examples. The results demonstrate that the proposed method can effectively reduce the prediction error.

Models of primary runaway electron distribution in the runaway vortex regime

DOE PAGES

Guo, Zehua; Tang, Xian-Zhu; McDevitt, Christopher J.

2017-11-01

Generation of runaway electrons (RE) beams can possibly induce the most deleterious effect of tokamak disruptions. A number of recent numerical calculations have confirmed the formation of a RE bump in their energy distribution by taking into account Synchrontron radiational damping force due to RE’s gyromotions. Here, we present a detailed examination on how the bump location changes at different pitch-angle and the characteristics of the RE pitch-angle distribution. Although REs moving along the magnetic field are preferably accelerated and then populate the phase-space of larger pitch-angle mainly through diffusions, an off-axis peak can still form due to the presencemore » of the vortex structure which causes accumulation of REs at low pitch-angle. A simplified Fokker- Planck model and its semi-analytical solutions based on local expansions around the O point is used to illustrate the characteristics of RE distribution around the O point of the runaway vortex in phase-space. The calculated energy location of the O point together with the local energy and pitch-angle distributions agree with the full numerical solution.« less

Diffusion of multi-isotopic chemical species in molten silicates

NASA Astrophysics Data System (ADS)

Watkins, James M.; Liang, Yan; Richter, Frank; Ryerson, Frederick J.; DePaolo, Donald J.

2014-08-01

Diffusion experiments in a simplified Na2O-CaO-SiO2 liquid system are used to develop a general formulation for the fractionation of Ca isotopes during liquid-phase diffusion. Although chemical diffusion is a well-studied process, the mathematical description of the effects of diffusion on the separate isotopes of a chemical element is surprisingly underdeveloped and uncertain. Kinetic theory predicts a mass dependence on isotopic mobility, but it is unknown how this translates into a mass dependence on effective binary diffusion coefficients, or more generally, the chemical diffusion coefficients that are housed in a multicomponent diffusion matrix. Our experiments are designed to measure Ca mobility, effective binary diffusion coefficients, the multicomponent diffusion matrix, and the effects of chemical diffusion on Ca isotopes in a liquid of single composition. We carried out two chemical diffusion experiments and one self-diffusion experiment, all at 1250 °C and 0.7 GPa and using a bulk composition for which other information is available from the literature. The self-diffusion experiment is used to determine the mobility of Ca in the absence of diffusive fluxes of other liquid components. The chemical diffusion experiments are designed to determine the effect on Ca isotope fractionation of changing the counter-diffusing component from fast-diffusing Na2O to slow-diffusing SiO2. When Na2O is the main counter-diffusing species, CaO diffusion is fast and larger Ca isotopic effects are generated. When SiO2 is the main counter-diffusing species, CaO diffusion is slow and smaller Ca isotopic effects are observed. In both experiments, the liquid is initially isotopically homogeneous, and during the experiment Ca isotopes become fractionated by diffusion. The results are used as a test of a new general expression for the diffusion of isotopes in a multicomponent liquid system that accounts for both self diffusion and the effects of counter-diffusing species. Our results show that (1) diffusive isotopic fractionations depend on the direction of diffusion in composition space, (2) diffusive isotopic fractionations scale with effective binary diffusion coefficient, as previously noted by Watkins et al. (2011), (3) self-diffusion is not decoupled from chemical diffusion, (4) self diffusion can be faster than or slower than chemical diffusion and (5) off-diagonal terms in the chemical diffusion matrix have isotopic mass-dependence. The results imply that relatively large isotopic fractionations can be generated by multicomponent diffusion even in the absence of large concentration gradients of the diffusing element. The new formulations for isotope diffusion can be tested with further experimentation and provide an improved framework for interpreting mass-dependent isotopic variations in natural liquids.

Scalable problems and memory bounded speedup

NASA Technical Reports Server (NTRS)

Sun, Xian-He; Ni, Lionel M.

1992-01-01

In this paper three models of parallel speedup are studied. They are fixed-size speedup, fixed-time speedup and memory-bounded speedup. The latter two consider the relationship between speedup and problem scalability. Two sets of speedup formulations are derived for these three models. One set considers uneven workload allocation and communication overhead and gives more accurate estimation. Another set considers a simplified case and provides a clear picture on the impact of the sequential portion of an application on the possible performance gain from parallel processing. The simplified fixed-size speedup is Amdahl's law. The simplified fixed-time speedup is Gustafson's scaled speedup. The simplified memory-bounded speedup contains both Amdahl's law and Gustafson's scaled speedup as special cases. This study leads to a better understanding of parallel processing.

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

Shang, Yu; Yu, Guoqiang, E-mail: guoqiang.yu@uky.edu

Conventional semi-infinite analytical solutions of correlation diffusion equation may lead to errors when calculating blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements in tissues with irregular geometries. Very recently, we created an algorithm integrating a Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in homogenous tissues with arbitrary geometries for extraction of BFI (i.e., αD{sub B}). The purpose of this study is to extend the capability of the Nth-order linear algorithm for extracting BFI in heterogeneous tissues with arbitrary geometries. The previous linear algorithm was modified to extract BFIs in different typesmore » of tissues simultaneously through utilizing DCS data at multiple source-detector separations. We compared the proposed linear algorithm with the semi-infinite homogenous solution in a computer model of adult head with heterogeneous tissue layers of scalp, skull, cerebrospinal fluid, and brain. To test the capability of the linear algorithm for extracting relative changes of cerebral blood flow (rCBF) in deep brain, we assigned ten levels of αD{sub B} in the brain layer with a step decrement of 10% while maintaining αD{sub B} values constant in other layers. Simulation results demonstrate the accuracy (errors < 3%) of high-order (N ≥ 5) linear algorithm in extracting BFIs in different tissue layers and rCBF in deep brain. By contrast, the semi-infinite homogenous solution resulted in substantial errors in rCBF (34.5% ≤ errors ≤ 60.2%) and BFIs in different layers. The Nth-order linear model simplifies data analysis, thus allowing for online data processing and displaying. Future study will test this linear algorithm in heterogeneous tissues with different levels of blood flow variations and noises.« less

A coagulation-fragmentation model for the turbulent growth and destruction of preplanetesimals

NASA Astrophysics Data System (ADS)

Johansen, A.; Brauer, F.; Dullemond, C.; Klahr, H.; Henning, T.

2008-08-01

To treat the problem of growing protoplanetary disc solids across the meter barrier, we consider a very simplified two-component coagulation-fragmentation model that consists of macroscopic boulders and smaller dust grains, the latter being the result of catastrophic collisions between the boulders. Boulders in turn increase their radii by sweeping up the dust fragments. An analytical solution of the dynamical equations predicts that growth by coagulation-fragmentation can be efficient and allow agglomeration of 10-m-sized objects within the time-scale of the radial drift. These results are supported by computer simulations of the motion of boulders and fragments in 3-D time-dependent magnetorotational turbulence. However allowing the fragments to diffuse freely out of the sedimentary layer of boulders drastically reduces the density of both boulders and fragments in the mid-plane, and thus also the growth of the boulder radius. The reason is that the turbulent diffusion time-scale is so much shorter than the collisional time-scale that dust fragments leak out of the mid-plane layer before they can be swept up by the boulders there. Our conclusion that coagulation-fragmentation is not an efficient way to grow across the meter barrier in fully turbulent protoplanetary discs confirms recent results by Brauer, Dullemond, & Henning who solved the coagulation equation in a parameterised turbulence model with collisional fragmentation, cratering, radial drift, and a range of particle sizes. We find that a relatively small population of boulders in a sedimentary mid-plane layer can populate the entire vertical extent of the disc with small grains and that these grains are not first generation dust, but have been through several agglomeration-destruction cycles during the simulations.

Irregular-Mesh Terrain Analysis and Incident Solar Radiation for Continuous Hydrologic Modeling in Mountain Watersheds

NASA Astrophysics Data System (ADS)

Moreno, H. A.; Ogden, F. L.; Alvarez, L. V.

2016-12-01

This research work presents a methodology for estimating terrain slope degree, aspect (slope orientation) and total incoming solar radiation from Triangular Irregular Network (TIN) terrain models. The algorithm accounts for self shading and cast shadows, sky view fractions for diffuse radiation, remote albedo and atmospheric backscattering, by using a vectorial approach within a topocentric coordinate system and establishing geometric relations between groups of TIN elements and the sun position. A normal vector to the surface of each TIN element describes slope and aspect while spherical trigonometry allows computingunit vector defining the position of the sun at each hour and day of the year. Thus, a dot product determines the radiation flux at each TIN element. Cast shadows are computed by scanning the projection of groups of TIN elements in the direction of the closest perpendicular plane to the sun vector only in the visible horizon range. Sky view fractions are computed by a simplified scanning algorithm from the highest to the lowest triangles along prescribed directions and visible distances, useful to determine diffuse radiation. Finally, remotealbedo is computed from the sky view fraction complementary functions for prescribed albedo values of the surrounding terrain only for significant angles above the horizon. The sensitivity of the different radiative components is tested a in a moutainuous watershed in Wyoming, to seasonal changes in weather and surrounding albedo (snow). This methodology represents an improvement on the current algorithms to compute terrain and radiation values on triangular-based models in an accurate and efficient manner. All terrain-related features (e.g. slope, aspect, sky view fraction) can be pre-computed and stored for easy access for a subsequent, progressive-in-time, numerical simulation.

Simplified models of dark matter with a long-lived co-annihilation partner

NASA Astrophysics Data System (ADS)

Khoze, Valentin V.; Plascencia, Alexis D.; Sakurai, Kazuki

2017-06-01

We introduce a new set of simplified models to address the effects of 3-point interactions between the dark matter particle, its dark co-annihilation partner, and the Standard Model degree of freedom, which we take to be the tau lepton. The contributions from dark matter co-annihilation channels are highly relevant for a determination of the correct relic abundance. We investigate these effects as well as the discovery potential for dark matter co-annihilation partners at the LHC. A small mass splitting between the dark matter and its partner is preferred by the co-annihilation mechanism and suggests that the co-annihilation partners may be long-lived (stable or meta-stable) at collider scales. It is argued that such long-lived electrically charged particles can be looked for at the LHC in searches of anomalous charged tracks. This approach and the underlying models provide an alternative/complementarity to the mono-jet and multi-jet based dark matter searches widely used in the context of simplified models with s-channel mediators. We consider four types of simplified models with different particle spins and coupling structures. Some of these models are manifestly gauge invariant and renormalizable, others would ultimately require a UV completion. These can be realised in terms of supersymmetric models in the neutralino-stau co-annihilation regime, as well as models with extra dimensions or composite models.

Drude-jellium model for the microwave conductivity of electrolyte solutions

NASA Astrophysics Data System (ADS)

Nhan, Tran Thi; Theu, Luong Thi; Tuan, Le; Viet, Nguyen Ai

2018-05-01

The microwave conductivity characteristics of electrolyte solutions have attracted much interest of researchers because a good understanding of their properties plays a key role to study fundamental processes in biology and chemistry. In this work, we consider the solution of sodium chloride as a plasma consisting of ions with water background. Its plasmon frequency is calculated by the jellium theory. The linear dependence of the microwave conductivity on the ion concentration of the electrolyte solutions is explained by a microscopic approach and described by a combination of this plasmon relationship and the simplified Drude formula for dielectric constant. Furthermore, the dependence of the microwave conductivity on the frequency of the salt solution is also examined. We suggest that it obeys the logistic distribution. We found a good agreement between theoretical calculations and experimental data. The values of the damping coefficient γ for the conductive solutions at low frequencies and the cutting frequency are estimated. The linear dependence of the diffusion coefficient on the temperature of the salt solution is also shown, in similarity with the result in the other model. The application of the Drude-jellium model could be done for the other electrolyte solutions in order to study theirs electro-dynamic properties.

Relaxation and coarsening of weakly-interacting breathers in a simplified DNLS chain

NASA Astrophysics Data System (ADS)

Iubini, Stefano; Politi, Antonio; Politi, Paolo

2017-07-01

The discrete nonlinear Schrödinger (DNLS) equation displays a parameter region characterized by the presence of localized excitations (breathers). While their formation is well understood and it is expected that the asymptotic configuration comprises a single breather on top of a background, it is not clear why the dynamics of a multi-breather configuration is essentially frozen. In order to investigate this question, we introduce simple stochastic models, characterized by suitable conservation laws. We focus on the role of the coupling strength between localized excitations and background. In the DNLS model, higher breathers interact more weakly, as a result of their faster rotation. In our stochastic models, the strength of the coupling is controlled directly by an amplitude-dependent parameter. In the case of a power-law decrease, the associated coarsening process undergoes a slowing down if the decay rate is larger than a critical value. In the case of an exponential decrease, a freezing effect is observed that is reminiscent of the scenario observed in the DNLS. This last regime arises spontaneously when direct energy diffusion between breathers and background is blocked below a certain threshold.

Multispecies diffusion models: A study of uranyl species diffusion

NASA Astrophysics Data System (ADS)

Liu, Chongxuan; Shang, Jianying; Zachara, John M.

2011-12-01

Rigorous numerical description of multispecies diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication in imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multispecies diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multispecies diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multispecies U(VI) diffusion under a steady state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that for multispecies U(VI) diffusion under transient chemical conditions, a fully coupled diffusion model could be well approximated by a component-based diffusion model when the diffusion coefficient for each chemical component was properly selected. The component-based diffusion model considers the difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be enforced, if necessary, by adding a secondary migration term resulting from model simplification. The effect of ion activity coefficient gradients on multispecies diffusion is also discussed. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from U.S. Department of Energy's Hanford 300A, where intragranular diffusion is a rate-limiting process controlling U(VI) adsorption and desorption. The grain-scale reactive diffusion model was able to describe U(VI) adsorption/desorption kinetics that had been previously described using a semiempirical, multirate model. Compared with the multirate model, the diffusion models have the advantage to provide spatiotemporal speciation evolution within the diffusion domains.

Spin injection and transport in semiconductor and metal nanostructures

NASA Astrophysics Data System (ADS)

Zhu, Lei

In this thesis we investigate spin injection and transport in semiconductor and metal nanostructures. To overcome the limitation imposed by the low efficiency of spin injection and extraction and strict requirements for retention of spin polarization within the semiconductor, novel device structures with additional logic functionality and optimized device performance have been developed. Weak localization/antilocalization measurements and analysis are used to assess the influence of surface treatments on elastic, inelastic and spin-orbit scatterings during the electron transport within the two-dimensional electron layer at the InAs surface. Furthermore, we have used spin-valve and scanned probe microscopy measurements to investigate the influence of sulfur-based surface treatments and electrically insulating barrier layers on spin injection into, and spin transport within, the two-dimensional electron layer at the surface of p-type InAs. We also demonstrate and analyze a three-terminal, all-electrical spintronic switching device, combining charge current cancellation by appropriate device biasing and ballistic electron transport. The device yields a robust, electrically amplified spin-dependent current signal despite modest efficiency in electrical injection of spin-polarized electrons. Detailed analyses provide insight into the advantages of ballistic, as opposed to diffusive, transport in device operation, as well as scalability to smaller dimensions, and allow us to eliminate the possibility of phenomena unrelated to spin transport contributing to the observed device functionality. The influence of the device geometry on magnetoresistance of nanoscale spin-valve structures is also demonstrated and discussed. Shortcomings of the simplified one-dimensional spin diffusion model for spin valve are elucidated, with comparison of the thickness and the spin diffusion length in the nonmagnetic channel as the criterion for validity of the 1D model. Our work contributes directly to the realization of spin valve and spin transistor devices based on III-V semiconductors, and offers new opportunities to engineer the behavior of spintronic devices at the nanoscale.

Can the three pore model correctly describe peritoneal transport of protein?

PubMed

Waniewski, Jacek; Poleszczuk, Jan; Antosiewicz, Stefan; Baczynński, Daniel; Gałach, Magda; Pietribiasi, Mauro; Wanńkowicz, Zofia

2014-01-01

The three pore model (3PM) includes large pores for the description of protein leak to the peritoneal cavity during peritoneal dialysis. However, the reliability of this description has been not fully tested against clinical data yet. Peritoneal transport parameters were estimated using 3PM, extended 3p model (with estimation of fraction of large pores, ext3PM), ext3PM with modified size of pores and proteins (mext3PM), and simplified two pore (2PM, small and ultrasmall pores) models for 32 patients on peritoneal dialysis investigated using the sequential peritoneal equilibration test (consecutive peritoneal equilibration test [PET]: glucose 2.27%, 4 h, and miniPET: glucose 3.86%, 1 h). Urea, creatinine, glucose, sodium, phosphate, albumin, and IgM concentrations were measured in dialysis fluid and plasma. Ext3PM and mext3PM, with large pore fraction of about 0.14, provided a good description of fluid and small solute kinetics, but their predictions for albumin transport were less accurate. Two pore model precisely described the data on fluid and small solute transport. The 3p models could not describe the diffusive-convective transport of albumin as precisely as the transport of fluid, small solutes, and IgM. The 2p model (not applicable for proteins) was an efficient tool for modeling fluid and small solute transport.

Flamelet Model Application for Non-Premixed Turbulent Combustion

NASA Technical Reports Server (NTRS)

Secundov, A.; Bezgin, L.; Buriko, Yu.; Guskov, O.; Kopchenov, V.; Laskin, I.; Lomkov, K.; Tshepin, S.; Volkov, D.; Zaitsev, S.

1996-01-01

The current Final Report contains results of the study which was performed in Scientific Research Center 'ECOLEN' (Moscow, Russia). The study concerns the development and verification of non-expensive approach for modeling of supersonic turbulent diffusion flames based on flamelet consideration of the chemistry/turbulence interaction (FL approach). Research work included: development of the approach and CFD tests of the flamelet model for supersonic jet flames; development of the simplified procedure for solution of the flamelet equations based on partial equilibrium chemistry assumption; study of the flame ignition/extinction predictions provided by flamelet model. The performed investigation demonstrated that FL approach allowed to describe satisfactory main features of supersonic H 2/air jet flames. Model demonstrated also high capabilities for reduction of the computational expenses in CFD modeling of the supersonic flames taking into account detailed oxidation chemistry. However, some disadvantages and restrictions of the existing version of approach were found in this study. They were: (1) inaccuracy in predictions of the passive scalar statistics by our turbulence model for one of the considered test cases; and (2) applicability of the available version of the flamelet model to flames without large ignition delay distance only. Based on the results of the performed investigation, we formulated and submitted to the National Aeronautics and Space Administration our Project Proposal for the next step research directed toward further improvement of the FL approach.

Fault Diagnostics for Turbo-Shaft Engine Sensors Based on a Simplified On-Board Model

PubMed Central

Lu, Feng; Huang, Jinquan; Xing, Yaodong

2012-01-01

Combining a simplified on-board turbo-shaft model with sensor fault diagnostic logic, a model-based sensor fault diagnosis method is proposed. The existing fault diagnosis method for turbo-shaft engine key sensors is mainly based on a double redundancies technique, and this can't be satisfied in some occasions as lack of judgment. The simplified on-board model provides the analytical third channel against which the dual channel measurements are compared, while the hardware redundancy will increase the structure complexity and weight. The simplified turbo-shaft model contains the gas generator model and the power turbine model with loads, this is built up via dynamic parameters method. Sensor fault detection, diagnosis (FDD) logic is designed, and two types of sensor failures, such as the step faults and the drift faults, are simulated. When the discrepancy among the triplex channels exceeds a tolerance level, the fault diagnosis logic determines the cause of the difference. Through this approach, the sensor fault diagnosis system achieves the objectives of anomaly detection, sensor fault diagnosis and redundancy recovery. Finally, experiments on this method are carried out on a turbo-shaft engine, and two types of faults under different channel combinations are presented. The experimental results show that the proposed method for sensor fault diagnostics is efficient. PMID:23112645

Computational split-field finite-difference time-domain evaluation of simplified tilt-angle models for parallel-aligned liquid-crystal devices

NASA Astrophysics Data System (ADS)

Márquez, Andrés; Francés, Jorge; Martínez, Francisco J.; Gallego, Sergi; Álvarez, Mariela L.; Calzado, Eva M.; Pascual, Inmaculada; Beléndez, Augusto

2018-03-01

Simplified analytical models with predictive capability enable simpler and faster optimization of the performance in applications of complex photonic devices. We recently demonstrated the most simplified analytical model still showing predictive capability for parallel-aligned liquid crystal on silicon (PA-LCoS) devices, which provides the voltage-dependent retardance for a very wide range of incidence angles and any wavelength in the visible. We further show that the proposed model is not only phenomenological but also physically meaningful, since two of its parameters provide the correct values for important internal properties of these devices related to the birefringence, cell gap, and director profile. Therefore, the proposed model can be used as a means to inspect internal physical properties of the cell. As an innovation, we also show the applicability of the split-field finite-difference time-domain (SF-FDTD) technique for phase-shift and retardance evaluation of PA-LCoS devices under oblique incidence. As a simplified model for PA-LCoS devices, we also consider the exact description of homogeneous birefringent slabs. However, we show that, despite its higher degree of simplification, the proposed model is more robust, providing unambiguous and physically meaningful solutions when fitting its parameters.

Fault diagnostics for turbo-shaft engine sensors based on a simplified on-board model.

PubMed

Lu, Feng; Huang, Jinquan; Xing, Yaodong

2012-01-01

Combining a simplified on-board turbo-shaft model with sensor fault diagnostic logic, a model-based sensor fault diagnosis method is proposed. The existing fault diagnosis method for turbo-shaft engine key sensors is mainly based on a double redundancies technique, and this can't be satisfied in some occasions as lack of judgment. The simplified on-board model provides the analytical third channel against which the dual channel measurements are compared, while the hardware redundancy will increase the structure complexity and weight. The simplified turbo-shaft model contains the gas generator model and the power turbine model with loads, this is built up via dynamic parameters method. Sensor fault detection, diagnosis (FDD) logic is designed, and two types of sensor failures, such as the step faults and the drift faults, are simulated. When the discrepancy among the triplex channels exceeds a tolerance level, the fault diagnosis logic determines the cause of the difference. Through this approach, the sensor fault diagnosis system achieves the objectives of anomaly detection, sensor fault diagnosis and redundancy recovery. Finally, experiments on this method are carried out on a turbo-shaft engine, and two types of faults under different channel combinations are presented. The experimental results show that the proposed method for sensor fault diagnostics is efficient.

Multi-Fidelity Framework for Modeling Combustion Instability

DTIC Science & Technology

2016-07-27

generated from the reduced-domain dataset. Evaluations of the framework are performed based on simplified test problems for a model rocket combustor showing...generated from the reduced-domain dataset. Evaluations of the framework are performed based on simplified test problems for a model rocket combustor...of Aeronautics and Astronautics and Associate Fellow AIAA. ‡ Professor Emeritus. § Senior Scientist, Rocket Propulsion Division and Senior Member

Simplified hydraulic model of French vertical-flow constructed wetlands.

PubMed

Arias, Luis; Bertrand-Krajewski, Jean-Luc; Molle, Pascal

2014-01-01

Designing vertical-flow constructed wetlands (VFCWs) to treat both rain events and dry weather flow is a complex task due to the stochastic nature of rain events. Dynamic models can help to improve design, but they usually prove difficult to handle for designers. This study focuses on the development of a simplified hydraulic model of French VFCWs using an empirical infiltration coefficient--infiltration capacity parameter (ICP). The model was fitted using 60-second-step data collected on two experimental French VFCW systems and compared with Hydrus 1D software. The model revealed a season-by-season evolution of the ICP that could be explained by the mechanical role of reeds. This simplified model makes it possible to define time-course shifts in ponding time and outlet flows. As ponding time hinders oxygen renewal, thus impacting nitrification and organic matter degradation, ponding time limits can be used to fix a reliable design when treating both dry and rain events.

Large-scale parallel lattice Boltzmann-cellular automaton model of two-dimensional dendritic growth

NASA Astrophysics Data System (ADS)

Jelinek, Bohumir; Eshraghi, Mohsen; Felicelli, Sergio; Peters, John F.

2014-03-01

An extremely scalable lattice Boltzmann (LB)-cellular automaton (CA) model for simulations of two-dimensional (2D) dendritic solidification under forced convection is presented. The model incorporates effects of phase change, solute diffusion, melt convection, and heat transport. The LB model represents the diffusion, convection, and heat transfer phenomena. The dendrite growth is driven by a difference between actual and equilibrium liquid composition at the solid-liquid interface. The CA technique is deployed to track the new interface cells. The computer program was parallelized using the Message Passing Interface (MPI) technique. Parallel scaling of the algorithm was studied and major scalability bottlenecks were identified. Efficiency loss attributable to the high memory bandwidth requirement of the algorithm was observed when using multiple cores per processor. Parallel writing of the output variables of interest was implemented in the binary Hierarchical Data Format 5 (HDF5) to improve the output performance, and to simplify visualization. Calculations were carried out in single precision arithmetic without significant loss in accuracy, resulting in 50% reduction of memory and computational time requirements. The presented solidification model shows a very good scalability up to centimeter size domains, including more than ten million of dendrites. Catalogue identifier: AEQZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEQZ_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, UK Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 29,767 No. of bytes in distributed program, including test data, etc.: 3131,367 Distribution format: tar.gz Programming language: Fortran 90. Computer: Linux PC and clusters. Operating system: Linux. Has the code been vectorized or parallelized?: Yes. Program is parallelized using MPI. Number of processors used: 1-50,000 RAM: Memory requirements depend on the grid size Classification: 6.5, 7.7. External routines: MPI (http://www.mcs.anl.gov/research/projects/mpi/), HDF5 (http://www.hdfgroup.org/HDF5/) Nature of problem: Dendritic growth in undercooled Al-3 wt% Cu alloy melt under forced convection. Solution method: The lattice Boltzmann model solves the diffusion, convection, and heat transfer phenomena. The cellular automaton technique is deployed to track the solid/liquid interface. Restrictions: Heat transfer is calculated uncoupled from the fluid flow. Thermal diffusivity is constant. Unusual features: Novel technique, utilizing periodic duplication of a pre-grown “incubation” domain, is applied for the scaleup test. Running time: Running time varies from minutes to days depending on the domain size and number of computational cores.

Anatomical and spiral wave reentry in a simplified model for atrial electrophysiology.

PubMed

Richter, Yvonne; Lind, Pedro G; Seemann, Gunnar; Maass, Philipp

2017-04-21

For modeling the propagation of action potentials in the human atria, various models have been developed in the past, which take into account in detail the influence of the numerous ionic currents flowing through the cell membrane. Aiming at a simplified description, the Bueno-Orovio-Cherry-Fenton (BOCF) model for electric wave propagation in the ventricle has been adapted recently to atrial physiology. Here, we study this adapted BOCF (aBOCF) model with respect to its capability to accurately generate spatio-temporal excitation patterns found in anatomical and spiral wave reentry. To this end, we compare results of the aBOCF model with the more detailed one proposed by Courtemanche, Ramirez and Nattel (CRN model). We find that characteristic features of the reentrant excitation patterns seen in the CRN model are well captured by the aBOCF model. This opens the possibility to study origins of atrial fibrillation based on a simplified but still reliable description. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mono-X versus direct searches: simplified models for dark matter at the LHC

DOE PAGES

Liew, Seng Pei; Papucci, Michele; Vichi, Alessandro; ...

2017-06-15

We consider simplified models for dark matter (DM) at the LHC, focused on mono-Higgs, -Z or -b produced in the final state. Our primary purpose is to study the LHC reach of a relatively complete set of simplified models for these final states, while comparing the reach of the mono-X DM search against direct searches for the mediating particle. We find that direct searches for the mediating particle, whether in di-jets, jets+E T, multi-b+E T, or di-boson+E T, are usually stronger. We draw attention to the cases that the mono-X search is strongest, which include regions of parameter space inmore » inelastic DM, two Higgs doublet, and squark mediated production models with a compressed spectrum.« less

Mono-X versus direct searches: simplified models for dark matter at the LHC

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

Liew, Seng Pei; Papucci, Michele; Vichi, Alessandro

We consider simplified models for dark matter (DM) at the LHC, focused on mono-Higgs, -Z or -b produced in the final state. Our primary purpose is to study the LHC reach of a relatively complete set of simplified models for these final states, while comparing the reach of the mono-X DM search against direct searches for the mediating particle. We find that direct searches for the mediating particle, whether in di-jets, jets+E T, multi-b+E T, or di-boson+E T, are usually stronger. We draw attention to the cases that the mono-X search is strongest, which include regions of parameter space inmore » inelastic DM, two Higgs doublet, and squark mediated production models with a compressed spectrum.« less

Vortex phase diagram of the layered superconductor Cu0.03TaS2 for H \\parallel c

NASA Astrophysics Data System (ADS)

Zhu, X. D.; Lu, J. C.; Sun, Y. P.; Pi, L.; Qu, Z.; Ling, L. S.; Yang, Z. R.; Zhang, Y. H.

2010-12-01

The magnetization and anisotropic electrical transport properties have been measured in high quality Cu0.03TaS2 single crystals. A pronounced peak effect has been observed, indicating that high quality and homogeneity are vital to the peak effect. A kink has been observed in the magnetic field, H, dependence of the in-plane resistivity ρab for H\\parallel c , which corresponds to a transition from activated to diffusive behavior of the vortex liquid phase. In the diffusive regime of the vortex liquid phase, the in-plane resistivity ρab is proportional to H0.3, which does not follow the Bardeen-Stephen law for free flux flow. Finally, a simplified vortex phase diagram of Cu0.03TaS2 for H \\parallel c is given.

Cell-centered high-order hyperbolic finite volume method for diffusion equation on unstructured grids

NASA Astrophysics Data System (ADS)

Lee, Euntaek; Ahn, Hyung Taek; Luo, Hong

2018-02-01

We apply a hyperbolic cell-centered finite volume method to solve a steady diffusion equation on unstructured meshes. This method, originally proposed by Nishikawa using a node-centered finite volume method, reformulates the elliptic nature of viscous fluxes into a set of augmented equations that makes the entire system hyperbolic. We introduce an efficient and accurate solution strategy for the cell-centered finite volume method. To obtain high-order accuracy for both solution and gradient variables, we use a successive order solution reconstruction: constant, linear, and quadratic (k-exact) reconstruction with an efficient reconstruction stencil, a so-called wrapping stencil. By the virtue of the cell-centered scheme, the source term evaluation was greatly simplified regardless of the solution order. For uniform schemes, we obtain the same order of accuracy, i.e., first, second, and third orders, for both the solution and its gradient variables. For hybrid schemes, recycling the gradient variable information for solution variable reconstruction makes one order of additional accuracy, i.e., second, third, and fourth orders, possible for the solution variable with less computational work than needed for uniform schemes. In general, the hyperbolic method can be an effective solution technique for diffusion problems, but instability is also observed for the discontinuous diffusion coefficient cases, which brings necessity for further investigation about the monotonicity preserving hyperbolic diffusion method.

Simplified ISCCP cloud regimes for evaluating cloudiness in CMIP5 models

NASA Astrophysics Data System (ADS)

Jin, Daeho; Oreopoulos, Lazaros; Lee, Dongmin

2017-01-01

We take advantage of ISCCP simulator data available for many models that participated in CMIP5, in order to introduce a framework for comparing model cloud output with corresponding ISCCP observations based on the cloud regime (CR) concept. Simplified global CRs are employed derived from the co-variations of three variables, namely cloud optical thickness, cloud top pressure and cloud fraction ( τ, p c , CF). Following evaluation criteria established in a companion paper of ours (Jin et al. 2016), we assess model cloud simulation performance based on how well the simplified CRs are simulated in terms of similarity of centroids, global values and map correlations of relative-frequency-of-occurrence, and long-term total cloud amounts. Mirroring prior results, modeled clouds tend to be too optically thick and not as extensive as in observations. CRs with high-altitude clouds from storm activity are not as well simulated here compared to the previous study, but other regimes containing near-overcast low clouds show improvement. Models that have performed well in the companion paper against CRs defined by joint τ- p c histograms distinguish themselves again here, but improvements for previously underperforming models are also seen. Averaging across models does not yield a drastically better picture, except for cloud geographical locations. Cloud evaluation with simplified regimes seems thus more forgiving than that using histogram-based CRs while still strict enough to reveal model weaknesses.

Model Checking a Byzantine-Fault-Tolerant Self-Stabilizing Protocol for Distributed Clock Synchronization Systems

NASA Technical Reports Server (NTRS)

Malekpour, Mahyar R.

2007-01-01

This report presents the mechanical verification of a simplified model of a rapid Byzantine-fault-tolerant self-stabilizing protocol for distributed clock synchronization systems. This protocol does not rely on any assumptions about the initial state of the system. This protocol tolerates bursts of transient failures, and deterministically converges within a time bound that is a linear function of the self-stabilization period. A simplified model of the protocol is verified using the Symbolic Model Verifier (SMV) [SMV]. The system under study consists of 4 nodes, where at most one of the nodes is assumed to be Byzantine faulty. The model checking effort is focused on verifying correctness of the simplified model of the protocol in the presence of a permanent Byzantine fault as well as confirmation of claims of determinism and linear convergence with respect to the self-stabilization period. Although model checking results of the simplified model of the protocol confirm the theoretical predictions, these results do not necessarily confirm that the protocol solves the general case of this problem. Modeling challenges of the protocol and the system are addressed. A number of abstractions are utilized in order to reduce the state space. Also, additional innovative state space reduction techniques are introduced that can be used in future verification efforts applied to this and other protocols.

Simplified path integral for supersymmetric quantum mechanics and type-A trace anomalies

NASA Astrophysics Data System (ADS)

Bastianelli, Fiorenzo; Corradini, Olindo; Iacconi, Laura

2018-05-01

Particles in a curved space are classically described by a nonlinear sigma model action that can be quantized through path integrals. The latter require a precise regularization to deal with the derivative interactions arising from the nonlinear kinetic term. Recently, for maximally symmetric spaces, simplified path integrals have been developed: they allow to trade the nonlinear kinetic term with a purely quadratic kinetic term (linear sigma model). This happens at the expense of introducing a suitable effective scalar potential, which contains the information on the curvature of the space. The simplified path integral provides a sensible gain in the efficiency of perturbative calculations. Here we extend the construction to models with N = 1 supersymmetry on the worldline, which are applicable to the first quantized description of a Dirac fermion. As an application we use the simplified worldline path integral to compute the type-A trace anomaly of a Dirac fermion in d dimensions up to d = 16.

Uncertain Representations of Sub-Grid Pollutant Transport in Chemistry-Transport Models and Impacts on Long-Range Transport and Global Composition

NASA Technical Reports Server (NTRS)

Pawson, Steven; Zhu, Z.; Ott, L. E.; Molod, A.; Duncan, B. N.; Nielsen, J. E.

2009-01-01

Sub-grid transport, by convection and turbulence, is known to play an important role in lofting pollutants from their source regions. Consequently, the long-range transport and climatology of simulated atmospheric composition are impacted. This study uses the Goddard Earth Observing System, Version 5 (GEOS-5) atmospheric model to study pollutant transport. The baseline model uses a Relaxed Arakawa-Schubert (RAS) scheme that represents convection through a sequence of linearly entraining cloud plumes characterized by unique detrainment levels. Thermodynamics, moisture and trace gases are transported in the same manner. Various approximate forms of trace-gas transport are implemented, in which the box-averaged cloud mass fluxes from RAS are used with different numerical approaches. Substantial impacts on forward-model simulations of CO (using a linearized chemistry) are evident. In particular, some aspects of simulations using a diffusive form of sub-grid transport bear more resemblance to space-biased CO observations than do the baseline simulations with RAS transport. Implications for transport in the real atmosphere will be discussed. Another issue of importance is that many adjoint/inversion computations use simplified representations of sub-grid transport that may be inconsistent with the forward models: implications will be discussed. Finally, simulations using a complex chemistry model in GEOS-5 (in place of the linearized CO model) are underway: noteworthy results from this simulation will be mentioned.

Phase space effects on fast ion distribution function modeling in tokamaks

DOE PAGES

Podesta, M.; Gorelenkova, M.; Fredrickson, E. D.; ...

2016-04-14

Here, integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities,ad-hocmodels can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. Themore » kick model implemented in the tokamaktransport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.« less

Scaling hyporheic exchange and its influence on biogeochemical reactions in aquatic ecosystems

USGS Publications Warehouse

O'Connor, Ben L.; Harvey, Judson W.

2008-01-01

Hyporheic exchange and biogeochemical reactions are difficult to quantify because of the range in fluid‐flow and sediment conditions inherent to streams, wetlands, and nearshore marine ecosystems. Field measurements of biogeochemical reactions in aquatic systems are impeded by the difficulty of measuring hyporheic flow simultaneously with chemical gradients in sediments. Simplified models of hyporheic exchange have been developed using Darcy's law generated by flow and bed topography at the sediment‐water interface. However, many modes of transport are potentially involved (molecular diffusion, bioturbation, advection, shear, bed mobility, and turbulence) with even simple models being difficult to apply in complex natural systems characterized by variable sediment sizes and irregular bed geometries. In this study, we synthesize information from published hyporheic exchange investigations to develop a scaling relationship for estimating mass transfer in near‐surface sediments across a range in fluid‐flow and sediment conditions. Net hyporheic exchange was quantified using an effective diffusion coefficient (De) that integrates all of the various transport processes that occur simultaneously in sediments, and dimensional analysis was used to scale De to shear stress velocity, roughness height, and permeability that describe fluid‐flow and sediment characteristics. We demonstrated the value of the derived scaling relationship by using it to quantify dissolved oxygen (DO) uptake rates on the basis of DO profiles in sediments and compared them to independent flux measurements. The results support a broad application of the De scaling relationship for quantifying coupled hyporheic exchange and biogeochemical reaction rates in streams and other aquatic ecosystems characterized by complex fluid‐flow and sediment conditions.

Implications of climate change for evaporation from bare soils in a Mediterranean environment.

PubMed

Aydin, Mehmet; Yano, Tomohisa; Evrendilek, Fatih; Uygur, Veli

2008-05-01

The purpose of this study was to predict quantitative changes in evaporation from bare soils in the Mediterranean climate region of Turkey in response to the projections of a regional climate model developed in Japan (hereafter RCM). Daily RCM data for the estimation of reference evapotranspiration (ETr) and soil evaporation were obtained for the periods of 1994--2003 and 2070--2079. Potential evaporation (Ep) from bare soils was calculated using the Penman-Monteith equation with a surface resistance of zero. Simulation of actual soil evaporation (Ea) was carried out using Aydin model (Aydin et al., Ecological Modelling 182:91-105, 2005) combined with Aydin and Uygur (2006, A model for estimating soil water potential of bare fields. In Proceedings of the 18th International Soil Meeting (ISM) on Soils Sustaining Life on Earth, Managing Soil and Technology, Sanliurfa, 477-480pp.) model of predicting soil water potential at the top surface layer of a bare soil, after performances of Aydin model (R2 = 94.0%) and Aydin and Uygur model (R2 = 97.6) were tested. The latter model is based on the relations among potential soil evaporation, hydraulic diffusivity, and soil wetness, with some simplified assumptions. Input parameters of the model are simple and easily obtainable such as climatic parameters used to compute the potential soil evaporation, average diffusivity for the drying soil, and volumetric water content at field capacity. The combination of Aydin and Aydin and Uygur models appeared to be useful in estimating water potential of soils and Ea from bare soils, with only a few parameters. Unlike ETr and Ep projected to increase by 92 and 69 mm (equivalent to 8.0 and 7.3% increases) due to the elevated evaporative demand of the atmosphere, respectively, Ea from bare soils is projected to reduce by 50 mm (equivalent to a 16.5% decrease) in response to a decrease in rainfall by 46% in the Mediterranean region of Turkey by the 2070s predicted by RCM, and consequently, to decreased soil wetness in the future.

A simplified solar cell array modelling program

NASA Technical Reports Server (NTRS)

Hughes, R. D.

1982-01-01

As part of the energy conversion/self sufficiency efforts of DSN engineering, it was necessary to have a simplified computer model of a solar photovoltaic (PV) system. This article describes the analysis and simplifications employed in the development of a PV cell array computer model. The analysis of the incident solar radiation, steady state cell temperature and the current-voltage characteristics of a cell array are discussed. A sample cell array was modelled and the results are presented.

A Manpower Model for U.S. Navy Operational Contracting

DTIC Science & Technology

2012-06-01

Accomplishment Time RFP Request For Proposal SAF/FM Air Force Financial Management SAP Simplified Acquisition Procedures SAT Simplified...conformance and seller’s release of claim (Garrett, 2007). 2. Contract Size and its Effect on Workload Simplified acquisition procedures ( SAP ) were...the SAP dollar threshold. 14 The drastic reduction in KO workload through the use of SAP is unmatched by any federal authorization that came

Partial melting kinetics of plagioclase-diopside pairs

NASA Astrophysics Data System (ADS)

Tsuchiyama, Akira

1985-09-01

Partial melting experiments on plagioclase (An60) and diopside have been carried out using pairs of large crystals to investigate textures and kinetics of melting. The experiments were done at one atmosphere pressure as a function of temperature (1,190 1,307° C) and time (1.5 192 h). Melting took place mainly at the plagioclase-diopside contact planes. Reaction zones composed of fine mixtures of calcic plagioclase and melt were developed from the surface of the plagioclase crystal inward. There exists a critical temperature, below which only a few % melting can occur over the duration of the experiments. This sluggish melting is caused by slow NaSi-CaAl diffusion in plagioclase, because the plagioclase crystal must change its composition to produce albite-rich cotectic melts. Diffusion in the solid also affects the chemical composition of the melts. During initial melting, potassium is preferentially extracted from plagioclase because K-Na diffusion in plagioclase is faster than that of NaSi-CaAl. This also causes a shift in the cotectic compositions. Above the “critical temperature”, on the other hand, melting is promoted by a metastable reaction in which the plagioclase composition does not change, and which produces melts with compositional gradients along the original An60-diopside tie line. The critical temperature is determined by the intersection of the cotectic and the An60-diopside tie line. Interdiffusion coefficients of plagioclase-diopside components in the melt are estimated from melting rates above the critical temperature by using a simplified steady-state diffusion model (e.g., 10-8 cm2/sec at 1,300° C). Many examples of reaction zones due to partial melting have been described as spongy or fingerprint-like textures in xenoliths. Metastable melting above the critical temperature is considered to take place in natural melting where there is a high degree of melting. However, we cannot exclude the possibility of disequilibrium created by sluggish melting controlled by diffusion in the minerals. If melting occurs close to the solidus, this process can be important even for partial melting in the upper mantle.

Development and Validation of a Simplified Renal Replacement Therapy Suitable for Prolonged Field Care in a Porcine (Sus scrofa) Model of Acute Kidney Injury

DTIC Science & Technology

2018-03-01

of a Simplified Renal Replacement Therapy Suitable for Prolonged Field Care in a Porcine (Sus scrofa) Model of Acute Kidney Injury. PRINCIPAL...and methods, results - include tables/figures, and conclusions/applications.) Objectives/Background: Acute kidney injury (AKI) is a serious

A SIMPLIFIED MODELING OF FLUSHING AND RESIDENCE TIME IN 42 EMBAYMENTS IN NEW ENGLAND, USA, WITH SPECIAL ATTENTION TO GRENWICH BAY, RHODE ISLAND

EPA Science Inventory

A simplified protocol has been developed to meet the need for modeling hydrodynamics and transport in large numbers of embayments quickly and reliably. The procedure is illustrated with 42 embayments in southern New England, USA, giving special attention to Greenwich Bay, RI. The...

A fluid model simulation of a simplified plasma limiter based on spectral-element time-domain method

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

Qian, Cheng; Ding, Dazhi, E-mail: dzding@njust.edu.cn; Fan, Zhenhong

2015-03-15

A simplified plasma limiter prototype is proposed and the fluid model coupled with Maxwell's equations is established to describe the operating mechanism of plasma limiter. A three-dimensional (3-D) simplified sandwich structure plasma limiter model is analyzed with the spectral-element time-domain (SETD) method. The field breakdown threshold of air and argon at different frequency is predicted and compared with the experimental data and there is a good agreement between them for gas microwave breakdown discharge problems. Numerical results demonstrate that the two-layer plasma limiter (plasma-slab-plasma) has better protective characteristics than a one-layer plasma limiter (slab-plasma-slab) with the same length of gasmore » chamber.« less

The Application of a Massively Parallel Computer to the Simulation of Electrical Wave Propagation Phenomena in the Heart Muscle Using Simplified Models

NASA Technical Reports Server (NTRS)

Karpoukhin, Mikhii G.; Kogan, Boris Y.; Karplus, Walter J.

1995-01-01

The simulation of heart arrhythmia and fibrillation are very important and challenging tasks. The solution of these problems using sophisticated mathematical models is beyond the capabilities of modern super computers. To overcome these difficulties it is proposed to break the whole simulation problem into two tightly coupled stages: generation of the action potential using sophisticated models. and propagation of the action potential using simplified models. The well known simplified models are compared and modified to bring the rate of depolarization and action potential duration restitution closer to reality. The modified method of lines is used to parallelize the computational process. The conditions for the appearance of 2D spiral waves after the application of a premature beat and the subsequent traveling of the spiral wave inside the simulated tissue are studied.

Electric Power Distribution System Model Simplification Using Segment Substitution

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

Reiman, Andrew P.; McDermott, Thomas E.; Akcakaya, Murat

Quasi-static time-series (QSTS) simulation is used to simulate the behavior of distribution systems over long periods of time (typically hours to years). The technique involves repeatedly solving the load-flow problem for a distribution system model and is useful for distributed energy resource (DER) planning. When a QSTS simulation has a small time step and a long duration, the computational burden of the simulation can be a barrier to integration into utility workflows. One way to relieve the computational burden is to simplify the system model. The segment substitution method of simplifying distribution system models introduced in this paper offers modelmore » bus reduction of up to 98% with a simplification error as low as 0.2% (0.002 pu voltage). In contrast to existing methods of distribution system model simplification, which rely on topological inspection and linearization, the segment substitution method uses black-box segment data and an assumed simplified topology.« less

The effects of atmospheric chemistry on radiation budget in the Community Earth Systems Model

NASA Astrophysics Data System (ADS)

Choi, Y.; Czader, B.; Diao, L.; Rodriguez, J.; Jeong, G.

2013-12-01

The Community Earth Systems Model (CESM)-Whole Atmosphere Community Climate Model (WACCM) simulations were performed to study the impact of atmospheric chemistry on the radiation budget over the surface within a weather prediction time scale. The secondary goal is to get a simplified and optimized chemistry module for the short time period. Three different chemistry modules were utilized to represent tropospheric and stratospheric chemistry, which differ in how their reactions and species are represented: (1) simplified tropospheric and stratospheric chemistry (approximately 30 species), (2) simplified tropospheric chemistry and comprehensive stratospheric chemistry from the Model of Ozone and Related Chemical Tracers, version 3 (MOZART-3, approximately 60 species), and (3) comprehensive tropospheric and stratospheric chemistry (MOZART-4, approximately 120 species). Our results indicate the different details in chemistry treatment from these model components affect the surface temperature and impact the radiation budget.

Modeling of Nitrogen Oxides Emissions from CFB Combustion

NASA Astrophysics Data System (ADS)

Kallio, S.; Keinonen, M.

In this work, a simplified description of combustion and nitrogen oxides chemistry was implemented in a 1.5D model framework with the aim to compare the results with ones earlier obtained with a detailed reaction scheme. The simplified chemistry was written using 12 chemical components. Heterogeneous chemistry is given by the same models as in the earlier work but the homogeneous and catalytic reactions have been altered. The models have been taken from the literature. The paper describes the numerical model with emphasis on the chemistry submodels. A simulation of combustion of bituminous coal in the Chalmers 12 MW boiler is conducted and the results are compared with the results obtained earlier with the detailed chemistry description. The results are also compared with measured O2, CO, NO and N2O profiles. The simplified reaction scheme produces equally good results as earlier obtained with the more elaborate chemistry description.

Simplified Model and Response Analysis for Crankshaft of Air Compressor

NASA Astrophysics Data System (ADS)

Chao-bo, Li; Jing-jun, Lou; Zhen-hai, Zhang

2017-11-01

The original model of crankshaft is simplified to the appropriateness to balance the calculation precision and calculation speed, and then the finite element method is used to analyse the vibration response of the structure. In order to study the simplification and stress concentration for crankshaft of air compressor, this paper compares calculative mode frequency and experimental mode frequency of the air compressor crankshaft before and after the simplification, the vibration response of reference point constraint conditions is calculated by using the simplified model, and the stress distribution of the original model is calculated. The results show that the error between calculative mode frequency and experimental mode frequency is controlled in less than 7%, the constraint will change the model density of the system, the position between the crank arm and the shaft appeared stress concentration, so the part of the crankshaft should be treated in the process of manufacture.

Application of the order-of-magnitude analysis to a fourth-order RANS closure for simulating a 2D boundary layer

NASA Astrophysics Data System (ADS)

Poroseva, Svetlana V.

2013-11-01

Simulations of turbulent boundary-layer flows are usually conducted using a set of the simplified Reynolds-Averaged Navier-Stokes (RANS) equations obtained by order-of-magnitude analysis (OMA) of the original RANS equations. The resultant equations for the mean-velocity components are closed using the Boussinesq approximation for the Reynolds stresses. In this study OMA is applied to the fourth-order RANS (FORANS) set of equations. The FORANS equations are chosen as they can be closed on the level of the 5th-order correlations without using unknown model coefficients, i.e. no turbulent diffusion modeling is required. New models for the 2nd-, 3rd- and 4th-order velocity-pressure gradient correlations are derived for the current FORANS equations. This set of FORANS equations and models are analyzed for the case of two-dimensional mean flow. The equations include familiar transport terms for the mean-velocity components along with algebraic expressions for velocity correlations of different orders specific to the FORANS approach. Flat plate DNS data (Spalart, 1988) are used to verify these expressions and the areas of the OMA applicability within the boundary layer. The material is based upon work supported by NASA under award NNX12AJ61A.

Hyperspectral imaging for presumptive identification of bacterial colonies on solid chromogenic culture media

NASA Astrophysics Data System (ADS)

Guillemot, Mathilde; Midahuen, Rony; Archeny, Delpine; Fulchiron, Corine; Montvernay, Regis; Perrin, Guillaume; Leroux, Denis F.

2016-04-01

BioMérieux is automating the microbiology laboratory in order to reduce cost (less manpower and consumables), to improve performance (increased sensitivity, machine algorithms) and to gain traceability through optimization of the clinical laboratory workflow. In this study, we evaluate the potential of Hyperspectral imaging (HSI) as a substitute to human visual observation when performing the task of microbiological culture interpretation. Microbial colonies from 19 strains subcategorized in 6 chromogenic classes were analyzed after a 24h-growth on a chromogenic culture medium (chromID® CPS Elite, bioMérieux, France). The HSI analysis was performed in the VNIR region (400-900 nm) using a linescan configuration. Using algorithms relying on Linear Spectral Unmixing, and using exclusively Diffuse Reflectance Spectra (DRS) as input data, we report interclass classification accuracies of 100% using a fully automatable approach and no use of morphological information. In order to eventually simplify the instrument, the performance of degraded DRS was also evaluated using only the most discriminant 14 spectral channels (a model for a multispectral approach) or 3 channels (model of a RGB image). The overall classification performance remains unchanged for our multispectral model but is degraded for the predicted RGB model, hints that a multispectral solution might bring the answer for an improved colony recognition.

A boundary integral approach in primitive variables for free surface flows

NASA Astrophysics Data System (ADS)

Casciola, C.; Piva, R.

The boundary integral formulation, very efficient for free surface potential flows, was considered for its possible extension to rotational flows either inviscid or viscous. We first analyze a general formulation for unsteady Navier-Stokes equations in primitive variables, which reduces to a representation for the Euler equations in the limiting case of Reynolds infinity. A first simplified model for rotational flows, obtained by decoupling kinematics and dynamics, reduces the integral equations to a known kinematical form whose mathematical and numerical properties have been studied. The dynamics equations to complete the model are obtained for the free surface and the wake. A simple and efficient scheme for the study of the non linear evolution of the wave system and its interaction with the body wake is presented. A steady state version for the calculation of the wave resistance is also reported. A second model was proposed for the simulation of rotational separated regions, by coupling the integral equations in velocity with an integral equation for the vorticity at the body boundary. The same procedure may be extended to include the diffusion of the vorticity in the flowfield. The vortex shedding from a cylindrical body in unsteady motion is discussed, as a first application of the model.

Prediction of diffuse organic micropollutant loads in streams under changing climatic, socio-economic and technical boundary conditions with an integrated transport model

NASA Astrophysics Data System (ADS)

Honti, Mark; Schuwirth, Nele; Rieckermann, Jörg; Ghielmetti, Nico; Stamm, Christian

2014-05-01

Catchments are complex systems where water quantity, quality and the ecological services provided are determined by interacting physical, chemical, biological, economical and social factors. The realization of these interactions led to the prevailing catchment management paradigm: Integrated Water Resources Management (IWRM). IWRM requires considering all these aspects during the design of sustainable resource utilization. Due to the complexity of this task, mathematical modeling plays a key role in IWRM, namely in the evaluation of the impacts of hypothetical scenarios and management measures. Toxicity is a key determinant of the ecological state and as such a focal point in IWRM, but we still have significant knowledge gaps about the diffuse loads of organic micropollutants (OMP) that leak from both urban and agricultural areas. Most European catchments possess mixed land use, containing rural (natural and agricultural) landscapes and settlements in varying proportions. Thus, a catchment model supporting IWRM must be able to cope with both classes. However, the majority of existing catchment models is dedicated to either rural or urban areas, while the minority capable of simulating both contain overly simplified descriptions for either land use category. We applied a conceptual model that describes all major land use classes for assessing the impacts of climate change, socio-economic development and management alternatives on diffuse OMP loads. We simulated the loads of 12 compounds (agricultural and urban pesticides and urban biocides) with daily resolution at 11 locations in the stream network of a small catchment (46 km2) in Switzerland. The model considers all important diffuse transport pathways separately, but each with a simple empirical process rate. Consequently, some site-specific observations were required to calibrate rate parameters. We assessed uncertainty during both calibration and prediction phases. Predictions indicated that future OMP loads were predominantly determined by human activities in each simulated sub-catchment, as reflected by the socio-economic scenarios and management alternatives. Climatic and the corresponding hydrological changes had a much weaker influence. This indicates that - conditionally on the confidence of our predictions - catchment management would possess effective options to prevent the degradation of water quality in the future. However, prediction uncertainty varied between high and huge levels depending on compound. Most of the identified uncertainty was related to the quality of input data. Application rates and timings could be estimated only roughly for most compounds. Concentration peaks were simulated with high uncertainty. The highest pollutant concentrations were often associated with known but unidentified pollution sources such as accidental spills, or brief high-intensity precipitation events whose amount could only be observed with high uncertainty. So while acute exposure would be as important as the chronic one for IWRM, neither climatic nor catchment models excel at predicting rare and brief events. This deficiency highlights why the assessment of predictive uncertainty should be an integral part of OMP modeling.

Macroscopic Modeling of a One-Dimensional Electrochemical Cell using the Poisson-Nernst-Planck Equations

NASA Astrophysics Data System (ADS)

Yan, David

This thesis presents the one-dimensional equations, numerical method and simulations of a model to characterize the dynamical operation of an electrochemical cell. This model extends the current state-of-the art in that it accounts, in a primitive way, for the physics of the electrolyte/electrode interface and incorporates diffuse-charge dynamics, temperature coupling, surface coverage, and polarization phenomena. The one-dimensional equations account for a system with one or two mobile ions of opposite charge, and the electrode reaction we consider (when one is needed) is a one-electron electrodeposition reaction. Though the modeled system is far from representing a realistic electrochemical device, our results show a range of dynamics and behaviors which have not been observed previously, and explore the numerical challenges required when adding more complexity to a model. Furthermore, the basic transport equations (which are developed in three spatial dimensions) can in future accomodate the inclusion of additional physics, and coupling to more complex boundary conditions that incorporate two-dimensional surface phenomena and multi-rate reactions. In the model, the Poisson-Nernst-Planck equations are used to model diffusion and electromigration in an electrolyte, and the generalized Frumkin-Butler-Volmer equation is used to model reaction kinetics at electrodes. An energy balance equation is derived and coupled to the diffusion-migration equation. The model also includes dielectric polarization effects by introducing different values of the dielectric permittivity in different regions of the bulk, as well as accounting for surface coverage effects due to adsorption, and finite size "crowding", or steric effects. Advection effects are not modeled but could in future be incorporated. In order to solve the coupled PDE's, we use a variable step size second order scheme in time and finite differencing in space. Numerical tests are performed on a simplified system and the scheme's stability and convergence properties are discussed. While evaluating different methods for discretizing the coupled flux boundary condition, we discover a thresholding behaviour in the adaptive time stepper, and perform additional tests to investigate it. Finally, a method based on ghost points is chosen for its favorable numerical properties compared to the alternatives. With this method, we are able to run simulations with a large range of parameters, including any value of the nondimensionalized Debye length epsilon. The numerical code is first used to run simulations to explore the effects of polarization, surface coverage, and temperature. The code is also used to perform frequency sweeps of input signals in order to mimic impedance spectroscopy experiments. Finally, in Chapter 5, we use our model to apply ramped voltages to electrochemical systems, and show theoretical and simulated current-voltage curves for liquid and solid thin films, cells with blocking (polarized) electrodes, and electrolytes with background charge. Linear sweep and cyclic voltammetry techniques are important tools for electrochemists and have a variety of applications in engineering. Voltammetry has classically been treated with the Randles-Sevcik equation, which assumes an electroneutral supported electrolyte. No general theory of linear-sweep voltammetry is available, however, for unsupported electrolytes and for other situations where diffuse charge effects play a role. We show theoretical and simulated current-voltage curves for liquid and solid thin films, cells with blocking electrodes, and membranes with fixed background charge. The analysis focuses on the coupling of Faradaic reactions and diffuse charge dynamics, but capacitive charging of the double layers is also studied, for early time transients at reactive electrodes and for non-reactive blocking electrodes. The final chapter highlights the role of diffuse charge in the context of voltammetry, and illustrates which regimes can be approximated using simple analytical expressions and which require more careful consideration.

The cost of simplifying air travel when modeling disease spread.

PubMed

Lessler, Justin; Kaufman, James H; Ford, Daniel A; Douglas, Judith V

2009-01-01

Air travel plays a key role in the spread of many pathogens. Modeling the long distance spread of infectious disease in these cases requires an air travel model. Highly detailed air transportation models can be over determined and computationally problematic. We compared the predictions of a simplified air transport model with those of a model of all routes and assessed the impact of differences on models of infectious disease. Using U.S. ticket data from 2007, we compared a simplified "pipe" model, in which individuals flow in and out of the air transport system based on the number of arrivals and departures from a given airport, to a fully saturated model where all routes are modeled individually. We also compared the pipe model to a "gravity" model where the probability of travel is scaled by physical distance; the gravity model did not differ significantly from the pipe model. The pipe model roughly approximated actual air travel, but tended to overestimate the number of trips between small airports and underestimate travel between major east and west coast airports. For most routes, the maximum number of false (or missed) introductions of disease is small (<1 per day) but for a few routes this rate is greatly underestimated by the pipe model. If our interest is in large scale regional and national effects of disease, the simplified pipe model may be adequate. If we are interested in specific effects of interventions on particular air routes or the time for the disease to reach a particular location, a more complex point-to-point model will be more accurate. For many problems a hybrid model that independently models some frequently traveled routes may be the best choice. Regardless of the model used, the effect of simplifications and sensitivity to errors in parameter estimation should be analyzed.

Correction for the Hematocrit Bias in Dried Blood Spot Analysis Using a Nondestructive, Single-Wavelength Reflectance-Based Hematocrit Prediction Method.

PubMed

Capiau, Sara; Wilk, Leah S; De Kesel, Pieter M M; Aalders, Maurice C G; Stove, Christophe P

2018-02-06

The hematocrit (Hct) effect is one of the most important hurdles currently preventing more widespread implementation of quantitative dried blood spot (DBS) analysis in a routine context. Indeed, the Hct may affect both the accuracy of DBS methods as well as the interpretation of DBS-based results. We previously developed a method to determine the Hct of a DBS based on its hemoglobin content using noncontact diffuse reflectance spectroscopy. Despite the ease with which the analysis can be performed (i.e., mere scanning of the DBS) and the good results that were obtained, the method did require a complicated algorithm to derive the total hemoglobin content from the DBS's reflectance spectrum. As the total hemoglobin was calculated as the sum of oxyhemoglobin, methemoglobin, and hemichrome, the three main hemoglobin derivatives formed in DBS upon aging, the reflectance spectrum needed to be unmixed to determine the quantity of each of these derivatives. We now simplified the method by only using the reflectance at a single wavelength, located at a quasi-isosbestic point in the reflectance curve. At this wavelength, assuming 1-to-1 stoichiometry of the aging reaction, the reflectance is insensitive to the hemoglobin degradation and only scales with the total amount of hemoglobin and, hence, the Hct. This simplified method was successfully validated. At each quality control level as well as at the limits of quantitation (i.e., 0.20 and 0.67) bias, intra- and interday imprecision were within 10%. Method reproducibility was excellent based on incurred sample reanalysis and surpassed the reproducibility of the original method. Furthermore, the influence of the volume spotted, the measurement location within the spot, as well as storage time and temperature were evaluated, showing no relevant impact of these parameters. Application to 233 patient samples revealed a good correlation between the Hct determined on whole blood and the predicted Hct determined on venous DBS. The bias obtained with Bland and Altman analysis was -0.015 and the limits of agreement were -0.061 and 0.031, indicating that the simplified, noncontact Hct prediction method even outperforms the original method. In addition, using caffeine as a model compound, it was demonstrated that this simplified Hct prediction method can effectively be used to implement a Hct-dependent correction factor to DBS-based results to alleviate the Hct bias.

Assessment of Geometry and In-Flow Effects on Contra-Rotating Open Rotor Broadband Noise Predictions

NASA Technical Reports Server (NTRS)

Zawodny, Nikolas S.; Nark, Douglas M.; Boyd, D. Douglas, Jr.

2015-01-01

Application of previously formulated semi-analytical models for the prediction of broadband noise due to turbulent rotor wake interactions and rotor blade trailing edges is performed on the historical baseline F31/A31 contra-rotating open rotor configuration. Simplified two-dimensional blade element analysis is performed on cambered NACA 4-digit airfoil profiles, which are meant to serve as substitutes for the actual rotor blade sectional geometries. Rotor in-flow effects such as induced axial and tangential velocities are incorporated into the noise prediction models based on supporting computational fluid dynamics (CFD) results and simplified in-flow velocity models. Emphasis is placed on the development of simplified rotor in-flow models for the purpose of performing accurate noise predictions independent of CFD information. The broadband predictions are found to compare favorably with experimental acoustic results.

Unconventional mechanisms control cyclic respiratory gas release in flying Drosophila.

PubMed

Lehmann, Fritz-Olaf; Heymann, Nicole

2005-10-01

The high power output of flight muscles places special demands on the respiratory gas exchange system in insects. In small insects, respiration relies on diffusion, and for elevated locomotor performance such as flight, instantaneous gas exchange rates typically co-vary with the animal's metabolic activity. By contrast, under certain conditions, instantaneous release rate of carbon dioxide from the fruit fly Drosophila flying in a virtual-reality flight arena may oscillate distinctly at low frequency (0.37+/-0.055 Hz), even though flight muscle mechanical power output requires constant metabolic activity. Cross-correlation analysis suggests that this uncoupling between respiratory and metabolic rate is not driven by conventional types of convective flow reinforcement such as abdominal pumping, but might result from two unusual mechanisms for tracheal breathing. Simplified analytical modeling of diffusive tracheal gas exchange suggests that cyclic release patterns in the insect occur as a consequence of the stochastically synchronized control of spiracle opening area by the four large thoracic spiracles. Alternatively, in-flight motion analysis of the abdomen and proboscis using infra-red video imaging suggests utilization of the proboscis extension reflex (PER) for tracheal convection. Although the respiratory benefit of synchronized spiracle opening activity in the fruit fly is unclear, proboscis-induced tracheal convection might potentially help to balance the local oxygen supply between different body compartments of the flying animal.

Unsteady Diffusion Flames: Ignition, Travel, and Burnout (SUBCORE Project: Simplified Unsteady Burning of Contained Reactants)

NASA Technical Reports Server (NTRS)

Fendell, Francis; Rungaldier, Harald

1999-01-01

An experimental apparatus for the examination of a planar, virtually strain-rate-free diffusion flame in microgravity has been designed and fabricated. Such a diffusion flame is characterized by relatively large spatial scale and high symmetry (to facilitate probing), and by relatively long fluid-residence time (to facilitate investigation of rates associated with sooting phenomena). Within the squat rectangular apparatus, with impervious, noncatalytic isothermal walls of stainless steel, a thin metallic splitter plate subdivides the contents into half-volumes. One half-volume initially contains fuel vapor diluted with an inert gas, and the other, oxidizer diluted with another inert gas-so that the two domains have equal pressure, density, and temperature. As the separator is removed, by translation in its own plane, through a tightly fitting slit in one side wall, a line ignitor in the opposite side wall initiates a triple-flame propagation across the narrow layer of combustible mixture formed near midheight in the chamber. The planar diffusion flame so emplaced is quickly disrupted in earth gravity. In microgravity, the planar flame persists, and travels ultimately into the half-volume containing the stoichiometrically deficient reactant; the flame eventually becomes extinguished owing to reactant depletion and heat loss to the walls.

Effect of Ambipolar Diffusion on Ion Abundances in Contracting Protostellar Cores

NASA Astrophysics Data System (ADS)

Ciolek, Glenn E.; Mouschovias, Telemachos Ch.

1998-09-01

Numerical simulations and analytical solutions have established that ambipolar diffusion can reduce the dust-to-gas ratio in magnetically and thermally supercritical cores during the epoch of core formation. We study the effect that this has on the ion chemistry in contracting protostellar cores and present a simplified analytical method that allows one to calculate the ion power-law exponent k (≡d ln ni/d ln nn, where ni and nn are the ion and neutral densities, respectively) as a function of core density. We find that, as in earlier numerical simulations, no single value of k can adequately describe the ion abundance for nn <~ 109 cm-3, a result that is contrary to the ``canonical'' value of k = 1/2 found in previous static equilibrium chemistry calculations and often used to study the effect of ambipolar diffusion in interstellar clouds. For typical cloud and grain parameters, reduction of the abundance of grains results in k > 1/2 during the core formation epoch (densities <~105 cm-3). As a consequence, observations of the degree of ionization in cores could be used, in principle, to determine whether ambipolar diffusion is responsible for core formation in interstellar molecular clouds. For densities >>105 cm-3, k is generally <<1/2.

Receiving water quality assessment: comparison between simplified and detailed integrated urban modelling approaches.

PubMed

Mannina, Giorgio; Viviani, Gaspare

2010-01-01

Urban water quality management often requires use of numerical models allowing the evaluation of the cause-effect relationship between the input(s) (i.e. rainfall, pollutant concentrations on catchment surface and in sewer system) and the resulting water quality response. The conventional approach to the system (i.e. sewer system, wastewater treatment plant and receiving water body), considering each component separately, does not enable optimisation of the whole system. However, recent gains in understanding and modelling make it possible to represent the system as a whole and optimise its overall performance. Indeed, integrated urban drainage modelling is of growing interest for tools to cope with Water Framework Directive requirements. Two different approaches can be employed for modelling the whole urban drainage system: detailed and simplified. Each has its advantages and disadvantages. Specifically, detailed approaches can offer a higher level of reliability in the model results, but can be very time consuming from the computational point of view. Simplified approaches are faster but may lead to greater model uncertainty due to an over-simplification. To gain insight into the above problem, two different modelling approaches have been compared with respect to their uncertainty. The first urban drainage integrated model approach uses the Saint-Venant equations and the 1D advection-dispersion equations, for the quantity and for the quality aspects, respectively. The second model approach consists of the simplified reservoir model. The analysis used a parsimonious bespoke model developed in previous studies. For the uncertainty analysis, the Generalised Likelihood Uncertainty Estimation (GLUE) procedure was used. Model reliability was evaluated on the basis of capacity of globally limiting the uncertainty. Both models have a good capability to fit the experimental data, suggesting that all adopted approaches are equivalent both for quantity and quality. The detailed model approach is more robust and presents less uncertainty in terms of uncertainty bands. On the other hand, the simplified river water quality model approach shows higher uncertainty and may be unsuitable for receiving water body quality assessment.

The 15 273 Å diffuse interstellar band in the dark cloud Barnard 68

NASA Astrophysics Data System (ADS)

Elyajouri, Meriem; Cox, Nick L. J.; Lallement, Rosine

2017-09-01

High obscuration of background stars behind dark clouds precludes the detection of optical diffuse interstellar bands (DIBs) and hence our knowledge of DIB carriers in these environments. Taking advantage of the reduced obscuration of starlight in the near-infrared (NIR) we used one of the strongest NIR DIBs at 15 273 Å to probe the presence and properties of its carrier throughout the nearby interstellar dark cloud Barnard 68. We measured equivalent widths (EW) for different ranges of visual extinction AV, using VLT/KMOS H-band (1.46-1.85 μm) moderate-resolution (R 4000) spectra of 43 stars situated behind the cloud. To do so, we fitted the data with synthetic stellar spectra from the APOGEE project and TAPAS synthetic telluric transmissions appropriate for the observing site and time period. The results show an increase of DIB EW with increasing AV. However, the rate of increase is much flatter than expected from the EW-AV quasi-proportionality established for this DIB in the Galactic diffuse interstellar medium. Based on a simplified inversion assuming sphericity, it is found that the volume density of the DIB carrier is 2.7 and 7.9 times lower than this expected average value in the external and central regions of the cloud, which have nH≃ 0.4 and 3.5 × 105 cm-3, respectively. Further measurements with multiplex NIR spectrographs should allow detailed modeling of such an edge effect of this DIB and other bands and help clarify its actual origin. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere under ESO programme 096.C-0931(A).

Structure-related aspects on water diffusivity in fatty acid-soap and skin lipid model systems.

PubMed

Norlén, L; Engblom, J

2000-01-03

Simplified skin barrier models are necessary to get a first hand understanding of the very complex morphology and physical properties of the human skin barrier. In addition, it is of great importance to construct relevant models that will allow for rational testing of barrier perturbing/occlusive effects of a large variety of substances. The primary objective of this work was to study the effect of lipid morphology on water permeation through various lipid mixtures (i.e., partly neutralised free fatty acids, as well as a skin lipid model mixture). In addition, the effects of incorporating Azone((R)) (1-dodecyl-azacycloheptan-2-one) into the skin lipid model mixture was studied. Small- and wide-angle X-ray diffraction was used for structure determinations. It is concluded that: (a) the water flux through a crystalline fatty acid-sodium soap-water mixture (s) is statistically significantly higher than the water flux through the corresponding lamellar (L(alpha)) and reversed hexagonal (H(II)) liquid crystalline phases, which do not differ between themselves; (b) the water flux through mixtures of L(alpha)/s decreases statistically significantly with increasing relative amounts of lamellar (L(alpha)) liquid crystalline phase; (c) the addition of Azone((R)) to a skin lipid model system induces a reduction in water flux. However, further studies are needed to more closely characterise the structural basis for the occlusive effects of Azone((R)) on water flux.

The determination of solubility and diffusion coefficient for solids in liquids by an inverse measurement technique using cylinders of amorphous glucose as a model compound

NASA Astrophysics Data System (ADS)

Hu, Chengyao; Huang, Pei

2011-05-01

The importance of sugar and sugar-containing materials is well recognized nowadays, owing to their application in industrial processes, particularly in the food, pharmaceutical and cosmetic industries. Because of the large numbers of those compounds involved and the relatively small number of solubility and/or diffusion coefficient data for each compound available, it is highly desirable to measure the solubility and/or diffusion coefficient as efficiently as possible and to be able to improve the accuracy of the methods used. In this work, a new technique was developed for the measurement of the diffusion coefficient of a stationary solid solute in a stagnant solvent which simultaneously measures solubility based on an inverse measurement problem algorithm with the real-time dissolved amount profile as a function of time. This study differs from established techniques in both the experimental method and the data analysis. The experimental method was developed in which the dissolved amount of solid solute in quiescent solvent was investigated using a continuous weighing technique. In the data analysis, the hybrid genetic algorithm is used to minimize an objective function containing a calculated and a measured dissolved amount with time. This is measured on a cylindrical sample of amorphous glucose in methanol or ethanol. The calculated dissolved amount, that is a function of the unknown physical properties of the solid solute in the solvent, is calculated by the solution of the two-dimensional nonlinear inverse natural convection problem. The estimated values of the solubility of amorphous glucose in methanol and ethanol at 293 K were respectively 32.1 g/100 g methanol and 1.48 g/100 g ethanol, in agreement with the literature values, and support the validity of the simultaneously measured diffusion coefficient. These results show the efficiency and the stability of the developed technique to simultaneously estimate the solubility and diffusion coefficient. Also the influence of the solution density change and the initial concentration conditions on the dissolved amount was investigated by the numerical results using the estimated parameters. It is found that the theoretical assumption to simplify the inverse measurement problem algorithm is reasonable for low solubility.

Simplified Analytical Model of a Six-Degree-of-Freedom Large-Gap Magnetic Suspension System

NASA Technical Reports Server (NTRS)

Groom, Nelson J.

1997-01-01

A simplified analytical model of a six-degree-of-freedom large-gap magnetic suspension system is presented. The suspended element is a cylindrical permanent magnet that is magnetized in a direction which is perpendicular to its axis of symmetry. The actuators are air core electromagnets mounted in a planar array. The analytical model consists of an open-loop representation of the magnetic suspension system with electromagnet currents as inputs.

Modeling Vertical Structure and Heat Transport within the Oceans of Ice-covered Worlds (Invited)

NASA Astrophysics Data System (ADS)

Goodman, J. C.

2010-12-01

Indirect observational evidence provides a strong case for liquid oceans beneath the icy crust of Europa and several other frozen moons in the outer solar system. However, little is known about the fluid circulation within these exotic oceans. As a first step toward understanding circulations driven by buoyancy (rather than mechanical forcing from tides), one must understand the typical vertical structure of temperature, salinity, and thus density within the ocean. Following a common approach from terrestrial oceanography, I have built a "single column convection model" for icy world oceans, which describes the density structure of the ocean as a function of depth only: horizontal variations are ignored. On Earth, this approach is of limited utility, because of the strong influence of horizontal wind-driven currents and sea-surface temperature gradients set in concert with the overlying atmosphere. Neither of these confounding issues is present in an icy world's ocean. In the model, mixing of fluid properties via overturning convection is modeled as a strong diffusive process which only acts when the ocean is vertically unstable. "Double diffusive" processes (salt fingering and diffusive layering) are included: these are mixing processes resulting from the unequal molecular diffusivities of heat and salt. Other important processes, such as heating on adiabatic compression, and freshwater fluxes from melting overlying ice, are also included. As a simple test case, I considered an ocean of Europa-like depth (~100 km) and gravity, heated from the seafloor. To simplify matters, I specified an equation of state appropriate to terrestrial seawater, and a simple isothermal ocean as an initial condition. As expected, convection gradually penetrates upward, warming the ocean to an adiabatic, unstratified equilibrium density profile on a timescale of 50 kyr if 4.5 TW of heat are emitted by the silicate interior; the same result is achieved in proportionally more/less time for weaker/stronger internal heating. Unlike Earth's oceans, I predict that since icy worlds' oceans are heated from below, they will generally be unstratified, with constant potential density from top to bottom. There will be no pycnocline as on Earth, so global ocean currents supported by large-scale density gradients seem unlikely. However, icy world oceans may be "weird" in ways which are unheard-of in terrestrial oceanography The density of sulfate brine has a very different equation of state than chloride brines: does this affect the vertical structure? If the ocean water is very pure, cold water can be less dense than warm. Can this lead to periodic catastrophic overturning, as proposed by other authors? These and other questions are currently being investigated using the single-column convection model as a primary tool.

simplified aerosol representations in global modeling

NASA Astrophysics Data System (ADS)

Kinne, Stefan; Peters, Karsten; Stevens, Bjorn; Rast, Sebastian; Schutgens, Nick; Stier, Philip

2015-04-01

The detailed treatment of aerosol in global modeling is complex and time-consuming. Thus simplified approaches are investigated, which prescribe 4D (space and time) distributions of aerosol optical properties and of aerosol microphysical properties. Aerosol optical properties are required to assess aerosol direct radiative effects and aerosol microphysical properties (in terms of their ability as aerosol nuclei to modify cloud droplet concentrations) are needed to address the indirect aerosol impact on cloud properties. Following the simplifying concept of the monthly gridded (1x1 lat/lon) aerosol climatology (MAC), new approaches are presented and evaluated against more detailed methods, including comparisons to detailed simulations with complex aerosol component modules.

A simplified method for determining reactive rate parameters for reaction ignition and growth in explosives

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

Miller, P.J.

1996-07-01

A simplified method for determining the reactive rate parameters for the ignition and growth model is presented. This simplified ignition and growth (SIG) method consists of only two adjustable parameters, the ignition (I) and growth (G) rate constants. The parameters are determined by iterating these variables in DYNA2D hydrocode simulations of the failure diameter and the gap test sensitivity until the experimental values are reproduced. Examples of four widely different explosives were evaluated using the SIG model. The observed embedded gauge stress-time profiles for these explosives are compared to those calculated by the SIG equation and the results are described.

PANDA: a pipeline toolbox for analyzing brain diffusion images.

PubMed

Cui, Zaixu; Zhong, Suyu; Xu, Pengfei; He, Yong; Gong, Gaolang

2013-01-01

Diffusion magnetic resonance imaging (dMRI) is widely used in both scientific research and clinical practice in in-vivo studies of the human brain. While a number of post-processing packages have been developed, fully automated processing of dMRI datasets remains challenging. Here, we developed a MATLAB toolbox named "Pipeline for Analyzing braiN Diffusion imAges" (PANDA) for fully automated processing of brain diffusion images. The processing modules of a few established packages, including FMRIB Software Library (FSL), Pipeline System for Octave and Matlab (PSOM), Diffusion Toolkit and MRIcron, were employed in PANDA. Using any number of raw dMRI datasets from different subjects, in either DICOM or NIfTI format, PANDA can automatically perform a series of steps to process DICOM/NIfTI to diffusion metrics [e.g., fractional anisotropy (FA) and mean diffusivity (MD)] that are ready for statistical analysis at the voxel-level, the atlas-level and the Tract-Based Spatial Statistics (TBSS)-level and can finish the construction of anatomical brain networks for all subjects. In particular, PANDA can process different subjects in parallel, using multiple cores either in a single computer or in a distributed computing environment, thus greatly reducing the time cost when dealing with a large number of datasets. In addition, PANDA has a friendly graphical user interface (GUI), allowing the user to be interactive and to adjust the input/output settings, as well as the processing parameters. As an open-source package, PANDA is freely available at http://www.nitrc.org/projects/panda/. This novel toolbox is expected to substantially simplify the image processing of dMRI datasets and facilitate human structural connectome studies.

PANDA: a pipeline toolbox for analyzing brain diffusion images

PubMed Central

Cui, Zaixu; Zhong, Suyu; Xu, Pengfei; He, Yong; Gong, Gaolang

2013-01-01

Diffusion magnetic resonance imaging (dMRI) is widely used in both scientific research and clinical practice in in-vivo studies of the human brain. While a number of post-processing packages have been developed, fully automated processing of dMRI datasets remains challenging. Here, we developed a MATLAB toolbox named “Pipeline for Analyzing braiN Diffusion imAges” (PANDA) for fully automated processing of brain diffusion images. The processing modules of a few established packages, including FMRIB Software Library (FSL), Pipeline System for Octave and Matlab (PSOM), Diffusion Toolkit and MRIcron, were employed in PANDA. Using any number of raw dMRI datasets from different subjects, in either DICOM or NIfTI format, PANDA can automatically perform a series of steps to process DICOM/NIfTI to diffusion metrics [e.g., fractional anisotropy (FA) and mean diffusivity (MD)] that are ready for statistical analysis at the voxel-level, the atlas-level and the Tract-Based Spatial Statistics (TBSS)-level and can finish the construction of anatomical brain networks for all subjects. In particular, PANDA can process different subjects in parallel, using multiple cores either in a single computer or in a distributed computing environment, thus greatly reducing the time cost when dealing with a large number of datasets. In addition, PANDA has a friendly graphical user interface (GUI), allowing the user to be interactive and to adjust the input/output settings, as well as the processing parameters. As an open-source package, PANDA is freely available at http://www.nitrc.org/projects/panda/. This novel toolbox is expected to substantially simplify the image processing of dMRI datasets and facilitate human structural connectome studies. PMID:23439846

Influence of the implanted pulse generator as reference electrode in finite element model of monopolar deep brain stimulation.

PubMed

Walckiers, Grégoire; Fuchs, Benjamin; Thiran, Jean-Philippe; Mosig, Juan R; Pollo, Claudio

2010-01-30

Electrical deep brain stimulation (DBS) is an efficient method to treat movement disorders. Many models of DBS, based mostly on finite elements, have recently been proposed to better understand the interaction between the electrical stimulation and the brain tissues. In monopolar DBS, clinically widely used, the implanted pulse generator (IPG) is used as reference electrode (RE). In this paper, the influence of the RE model of monopolar DBS is investigated. For that purpose, a finite element model of the full electric loop including the head, the neck and the superior chest is used. Head, neck and superior chest are made of simple structures such as parallelepipeds and cylinders. The tissues surrounding the electrode are accurately modelled from data provided by the diffusion tensor magnetic resonance imaging (DT-MRI). Three different configurations of RE are compared with a commonly used model of reduced size. The electrical impedance seen by the DBS system and the potential distribution are computed for each model. Moreover, axons are modelled to compute the area of tissue activated by stimulation. Results show that these indicators are influenced by the surface and position of the RE. The use of a RE model corresponding to the implanted device rather than the usually simplified model leads to an increase of the system impedance (+48%) and a reduction of the area of activated tissue (-15%). (c) 2009 Elsevier B.V. All rights reserved.

Population-expression models of immune response

NASA Astrophysics Data System (ADS)

Stromberg, Sean P.; Antia, Rustom; Nemenman, Ilya

2013-06-01

The immune response to a pathogen has two basic features. The first is the expansion of a few pathogen-specific cells to form a population large enough to control the pathogen. The second is the process of differentiation of cells from an initial naive phenotype to an effector phenotype which controls the pathogen, and subsequently to a memory phenotype that is maintained and responsible for long-term protection. The expansion and the differentiation have been considered largely independently. Changes in cell populations are typically described using ecologically based ordinary differential equation models. In contrast, differentiation of single cells is studied within systems biology and is frequently modeled by considering changes in gene and protein expression in individual cells. Recent advances in experimental systems biology make available for the first time data to allow the coupling of population and high dimensional expression data of immune cells during infections. Here we describe and develop population-expression models which integrate these two processes into systems biology on the multicellular level. When translated into mathematical equations, these models result in non-conservative, non-local advection-diffusion equations. We describe situations where the population-expression approach can make correct inference from data while previous modeling approaches based on common simplifying assumptions would fail. We also explore how model reduction techniques can be used to build population-expression models, minimizing the complexity of the model while keeping the essential features of the system. While we consider problems in immunology in this paper, we expect population-expression models to be more broadly applicable.

Comment on 'Parametrization of Stillinger-Weber potential based on a valence force field model: application to single-layer MoS2 and black phosphorus'.

PubMed

Midtvedt, Daniel; Croy, Alexander

2016-06-10

We compare the simplified valence-force model for single-layer black phosphorus with the original model and recent ab initio results. Using an analytic approach and numerical calculations we find that the simplified model yields Young's moduli that are smaller compared to the original model and are almost a factor of two smaller than ab initio results. Moreover, the Poisson ratios are an order of magnitude smaller than values found in the literature.

A Fast and Accurate Method of Radiation Hydrodynamics Calculation in Spherical Symmetry

NASA Astrophysics Data System (ADS)

Stamer, Torsten; Inutsuka, Shu-ichiro

2018-06-01

We develop a new numerical scheme for solving the radiative transfer equation in a spherically symmetric system. This scheme does not rely on any kind of diffusion approximation, and it is accurate for optically thin, thick, and intermediate systems. In the limit of a homogeneously distributed extinction coefficient, our method is very accurate and exceptionally fast. We combine this fast method with a slower but more generally applicable method to describe realistic problems. We perform various test calculations, including a simplified protostellar collapse simulation. We also discuss possible future improvements.

Analytic method for calculating properties of random walks on networks

NASA Technical Reports Server (NTRS)

Goldhirsch, I.; Gefen, Y.

1986-01-01

A method for calculating the properties of discrete random walks on networks is presented. The method divides complex networks into simpler units whose contribution to the mean first-passage time is calculated. The simplified network is then further iterated. The method is demonstrated by calculating mean first-passage times on a segment, a segment with a single dangling bond, a segment with many dangling bonds, and a looplike structure. The results are analyzed and related to the applicability of the Einstein relation between conductance and diffusion.

Tire-rim interface pressure of a commercial vehicle wheel under radial loads: theory and experiment

NASA Astrophysics Data System (ADS)

Wan, Xiaofei; Shan, Yingchun; Liu, Xiandong; He, Tian; Wang, Jiegong

2017-11-01

The simulation of the radial fatigue test of a wheel has been a necessary tool to improve the design of the wheel and calculate its fatigue life. The simulation model, including the strong nonlinearity of the tire structure and material, may produce accurate results, but often leads to a divergence in calculation. Thus, a simplified simulation model in which the complicated tire model is replaced with a tire-wheel contact pressure model is used extensively in the industry. In this paper, a simplified tire-rim interface pressure model of a wheel under a radial load is established, and the pressure of the wheel under different radial loads is tested. The tire-rim contact behavior affected by the radial load is studied and analyzed according to the test result, and the tire-rim interface pressure extracted from the test result is used to evaluate the simplified pressure model and the traditional cosine function model. The results show that the proposed model may provide a more accurate prediction of the wheel radial fatigue life than the traditional cosine function model.

A Reconstruction Approach to High-Order Schemes Including Discontinuous Galerkin for Diffusion

NASA Technical Reports Server (NTRS)

Huynh, H. T.

2009-01-01

We introduce a new approach to high-order accuracy for the numerical solution of diffusion problems by solving the equations in differential form using a reconstruction technique. The approach has the advantages of simplicity and economy. It results in several new high-order methods including a simplified version of discontinuous Galerkin (DG). It also leads to new definitions of common value and common gradient quantities at each interface shared by the two adjacent cells. In addition, the new approach clarifies the relations among the various choices of new and existing common quantities. Fourier stability and accuracy analyses are carried out for the resulting schemes. Extensions to the case of quadrilateral meshes are obtained via tensor products. For the two-point boundary value problem (steady state), it is shown that these schemes, which include most popular DG methods, yield exact common interface quantities as well as exact cell average solutions for nearly all cases.

Vortex phase diagram of the layered superconductor Cu0.03TaS2 for H is parallel to c.

PubMed

Zhu, X D; Lu, J C; Sun, Y P; Pi, L; Qu, Z; Ling, L S; Yang, Z R; Zhang, Y H

2010-12-22

The magnetization and anisotropic electrical transport properties have been measured in high quality Cu(0.03)TaS(2) single crystals. A pronounced peak effect has been observed, indicating that high quality and homogeneity are vital to the peak effect. A kink has been observed in the magnetic field, H, dependence of the in-plane resistivity ρ(ab) for H is parallel to c, which corresponds to a transition from activated to diffusive behavior of the vortex liquid phase. In the diffusive regime of the vortex liquid phase, the in-plane resistivity ρ(ab) is proportional to H(0.3), which does not follow the Bardeen-Stephen law for free flux flow. Finally, a simplified vortex phase diagram of Cu(0.03)TaS(2) for H is parallel to c is given.