Diffusion of Li in olivine. Part I: Experimental observations and a multi species diffusion model
NASA Astrophysics Data System (ADS)
Dohmen, Ralf; Kasemann, Simone A.; Coogan, Laurence; Chakraborty, Sumit
2010-01-01
There are an increasing number of studies that focus on the systematics of the distribution of Li and its isotopes among different geochemical reservoirs. These studies have found that Li is relatively mobile compared to many other elements (e.g., Fe, Mg), and diffusion has been considered as a mechanism to generate large isotopic fractionations even at high temperatures. In order to quantify some of these aspects, we have measured Li diffusion rates experimentally along [0 0 1] of single crystals of olivines from San Carlos, Arizona and Pakistan, at 800-1200 °C at a total pressure of 100 kPa and fO 2 ≈ WM buffer. A complex diffusion behavior of Li is observed, indicating that two mechanisms of diffusion (a fast and a slower one) operate simultaneously. The behavior is well described by a model that partitions Li between two different sites in olivine - an octahedral site (Li Me) and an interstitial site (Li i). Transport of Li is a combination of hopping within and between each of these kinds of sites involving also vacancies on the octahedral site (V Me). It is assumed that the homogeneous reaction (Li Me = V Me + Li i) that maintains equilibrium distribution of Li between the sites is instantaneous compared to the timescales of all other processes associated with diffusive transport. One consequence of this mode of transport of Li in olivine is that the shape and length of diffusion profiles depend on the boundary conditions imposed at the surface of a crystal; i.e., the chemical environment (e.g., fO 2, aLi 4SiO 4), in addition to temperature and pressure. Our model describes the variable experimentally determined Li-profile shapes produced at different temperatures and with different boundary conditions, as well as their time evolution, quantitatively. Modeling the observed isotopic fractionation shows that 6Li diffuses about 5% faster than 7Li on the interstitial site. Inspection of published data on Li distribution in natural olivines that are available
Selzer, D; Hahn, T; Naegel, A; Heisig, M; Kostka, K H; Lehr, C M; Neumann, D; Schaefer, U F; Wittum, G
2013-01-28
This work investigates in vitro finite dose skin absorption of the model compounds flufenamic acid and caffeine experimentally and mathematically. The mass balance in different skin compartments (donor, stratum corneum (SC), deeper skin layers (DSL), lateral skin parts and acceptor) is analyzed as a function of time. For both substances high amounts were found in the lateral skin compartment after 6h of incubation, which emphasizes not to elide these parts in the modeling. Here, three different mathematical models were investigated and tested with the experimental data: a pharmacokinetic model (PK), a detailed microscopic two-dimensional diffusion model (MICRO) and a macroscopic homogenized diffusion model (MACRO). While the PK model was fitted to the experimental data, the MICRO and the MACRO models employed input parameters derived from infinite dose studies to predict the underlying diffusion process. All models could satisfyingly predict or describe the experimental data. The PK model and MACRO model also feature the lateral parts.
Wu, M; Li, J; Ludwig, A; Kharicha, A
2014-09-01
Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm(2)) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.
A new model of diffuse brain injury in rats. Part I: Pathophysiology and biomechanics.
Marmarou, A; Foda, M A; van den Brink, W; Campbell, J; Kita, H; Demetriadou, K
1994-02-01
This report describes the development of an experimental head injury model capable of producing diffuse brain injury in the rodent. A total of 161 anesthetized adult rats were injured utilizing a simple weight-drop device consisting of a segmented brass weight free-falling through a Plexiglas guide tube. Skull fracture was prevented by cementing a small stainless-steel disc on the calvaria. Two groups of rats were tested: Group 1, consisting of 54 rats, to establish fracture threshold; and Group 2, consisting of 107 animals, to determine the primary cause of death at severe injury levels. Data from Group 1 animals showed that a 450-gm weight falling from a 2-m height (0.9 kg-m) resulted in a mortality rate of 44% with a low incidence (12.5%) of skull fracture. Impact was followed by apnea, convulsions, and moderate hypertension. The surviving rats developed decortication flexion deformity of the forelimbs, with behavioral depression and loss of muscle tone. Data from Group 2 animals suggested that the cause of death was due to central respiratory depression; the mortality rate decreased markedly in animals mechanically ventilated during the impact. Analysis of mathematical models showed that this mass-height combination resulted in a brain acceleration of 900 G and a brain compression gradient of 0.28 mm. It is concluded that this simple model is capable of producing a graded brain injury in the rodent without a massive hypertensive surge or excessive brain-stem damage.
NASA Astrophysics Data System (ADS)
Ibach, Harald; Giesen, Margret; Al-Shakran, Mohammad; Kibler, Ludwig A.; Jacob, Timo
2017-05-01
This is Part II of two closely related papers, where we show that the strong repulsive interaction caused by specifically adsorbed anions leads to a failure of the nearest-neighbor Ising model to describe structures on electrode surfaces. In this part, an analytical form of the step diffusivity is derived in terms of nearest and next-nearest neighbor interactions for steps with a mean direction along < 110 > (the close-packed direction). With the help of a further analytical expression for the diffusivity of steps with < 100 > mean orientation a simple scheme is developed whereby the nearest and next-nearest interaction energies can be extracted from the experimental values for the diffusivity along the < 110 > - and < 100 > -directions. The method is applicable to repulsive and attractive next-nearest neighbor interactions, both for surfaces in vacuum and in contact with an electrolyte. An example is presented in Part I, where we apply our approach to Au(100) in Br--, Cl-- and SO42-containing electrolytes.
NASA Astrophysics Data System (ADS)
Al-Shakran, Mohammad; Kibler, Ludwig A.; Jacob, Timo; Ibach, Harald; Beltramo, Guillermo L.; Giesen, Margret
2016-09-01
This is Part I of two closely related papers, where we show that the specific adsorption of anions leads to a failure of the nearest-neighbor Ising model to describe island perimeter curvatures on Au(100) electrodes in dilute KBr, HCl and H2SO4 electrolytes and the therewith derived step diffusivity vs. step orientation. This result has major consequences for theoretical studies aiming at the understanding of growth, diffusion and degradation phenomena. Part I focuses on the experimental data. As shown theoretically in detail in Part II (doi:10.1016/j.susc.2016.03.022), a set of nearest-neighbor and next-nearest-neighbor interaction energies (ɛNN, ɛNNN) can uniquely be derived from the diffusivity of steps along <100> and <110>. We find strong repulsive next-nearest neighbor (NNN) interaction in KBr and HCl, whereas NNN interaction is negligibly for H2SO4. The NNN repulsive interaction energy ɛNNN therefore correlates positively with the Gibbs adsorption energy of the anions. We find furthermore that ɛNNN increases with increasing Br- and Cl- coverage. The results for ɛNN and ɛNNN are quantitatively consistent with the coverage dependence of the step line tension. We thereby establish a sound experimental base for theoretical studies on the energetics of steps in the presence of specific adsorption.
Diffuse Cystic Lung Disease. Part II
Vassallo, Robert; Wikenheiser-Brokamp, Kathryn A.; McCormack, Francis X.
2015-01-01
The diffuse cystic lung diseases have a broad differential diagnosis. A wide variety of pathophysiological processes spanning the spectrum from airway obstruction to lung remodeling can lead to multifocal cyst development in the lung. Although lymphangioleiomyomatosis and pulmonary Langerhans cell histiocytosis are perhaps more frequently seen in the clinic, disorders such as Birt-Hogg-Dubé syndrome, lymphocytic interstitial pneumonia, follicular bronchiolitis, and light-chain deposition disease are increasingly being recognized. Obtaining an accurate diagnosis can be challenging, and management approaches are highly disease dependent. Unique imaging features, genetic tests, serum studies, and clinical features provide invaluable clues that help clinicians distinguish among the various etiologies, but biopsy is often required for definitive diagnosis. In part II of this review, we present an overview of the diffuse cystic lung diseases caused by lymphoproliferative disorders, genetic mutations, or aberrant lung development and provide an approach to aid in their diagnosis and management. PMID:25906201
Diffuse Cystic Lung Disease. Part I
Vassallo, Robert; Wikenheiser-Brokamp, Kathryn A.; McCormack, Francis X.
2015-01-01
The diffuse cystic lung diseases (DCLDs) are a group of pathophysiologically heterogenous processes that are characterized by the presence of multiple spherical or irregularly shaped, thin-walled, air-filled spaces within the pulmonary parenchyma. Although the mechanisms of cyst formation remain incompletely defined for all DCLDs, in most cases lung remodeling associated with inflammatory or infiltrative processes results in displacement, destruction, or replacement of alveolar septa, distal airways, and small vessels within the secondary lobules of the lung. The DCLDs can be broadly classified according to underlying etiology as those caused by low-grade or high-grade metastasizing neoplasms, polyclonal or monoclonal lymphoproliferative disorders, infections, interstitial lung diseases, smoking, and congenital or developmental defects. In the first of a two-part series, we present an overview of the cystic lung diseases caused by neoplasms, infections, smoking-related diseases, and interstitial lung diseases, with a focus on lymphangioleiomyomatosis and pulmonary Langerhans cell histiocytosis. PMID:25906089
Diffuse Cystic Lung Disease. Part I.
Gupta, Nishant; Vassallo, Robert; Wikenheiser-Brokamp, Kathryn A; McCormack, Francis X
2015-06-15
The diffuse cystic lung diseases (DCLDs) are a group of pathophysiologically heterogenous processes that are characterized by the presence of multiple spherical or irregularly shaped, thin-walled, air-filled spaces within the pulmonary parenchyma. Although the mechanisms of cyst formation remain incompletely defined for all DCLDs, in most cases lung remodeling associated with inflammatory or infiltrative processes results in displacement, destruction, or replacement of alveolar septa, distal airways, and small vessels within the secondary lobules of the lung. The DCLDs can be broadly classified according to underlying etiology as those caused by low-grade or high-grade metastasizing neoplasms, polyclonal or monoclonal lymphoproliferative disorders, infections, interstitial lung diseases, smoking, and congenital or developmental defects. In the first of a two-part series, we present an overview of the cystic lung diseases caused by neoplasms, infections, smoking-related diseases, and interstitial lung diseases, with a focus on lymphangioleiomyomatosis and pulmonary Langerhans cell histiocytosis.
Fractal model of anomalous diffusion.
Gmachowski, Lech
2015-12-01
An equation of motion is derived from fractal analysis of the Brownian particle trajectory in which the asymptotic fractal dimension of the trajectory has a required value. The formula makes it possible to calculate the time dependence of the mean square displacement for both short and long periods when the molecule diffuses anomalously. The anomalous diffusion which occurs after long periods is characterized by two variables, the transport coefficient and the anomalous diffusion exponent. An explicit formula is derived for the transport coefficient, which is related to the diffusion constant, as dependent on the Brownian step time, and the anomalous diffusion exponent. The model makes it possible to deduce anomalous diffusion properties from experimental data obtained even for short time periods and to estimate the transport coefficient in systems for which the diffusion behavior has been investigated. The results were confirmed for both sub and super-diffusion.
NASA Astrophysics Data System (ADS)
Han, Xuebing; Ouyang, Minggao; Lu, Languang; Li, Jianqiu
2015-03-01
Now the lithium ion batteries are widely used in electrical vehicles (EV). The battery modeling and state estimation is of great significance. The rigorous physic based electrochemical model is too complicated for on-line simulation in vehicle. In this work, the simplification of physics-based model lithium ion battery for application in battery management system (BMS) on real electrical vehicle is proposed. Approximate method for solving the solid phase diffusion and electrolyte concentration distribution problems is introduced. The approximate result is very close to the rigorous model but fewer computations are needed. An extended single particle model is founded based on these approximated results and the on-line state of charge (SOC) estimation algorithm using the extended Kalman filter with this single particle model is discussed. This SOC estimation algorithm could be used in the BMS in real vehicle.
Multispecies diffusion models: A study of uranyl species diffusion
Liu, Chongxuan; Shang, Jianying; Zachara, John M.
2011-12-14
Rigorous numerical description of multi-species 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 for imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multi-species diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multi-species diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multi-species U(VI) diffusion under steady-state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that a fully coupled diffusion model can be well approximated by a component-based diffusion model, which considers 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 rigorously enforced, if necessary, by adding an artificial kinetic reaction term induced by the charge separation. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from US Department of Energy's Hanford 300A where intragrain 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 has been described using a semi-empirical, multi-rate model
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
Minimal model for anomalous diffusion
NASA Astrophysics Data System (ADS)
Flekkøy, Eirik G.
2017-01-01
A random walk model with a local probability of removal is solved exactly and shown to exhibit subdiffusive behavior with a mean square displacement the evolves as
Hansen, Steffi; Henning, Andreas; Naegel, Arne; Heisig, Michael; Wittum, Gabriel; Neumann, Dirk; Kostka, Karl-Heinz; Zbytovska, Jarmila; Lehr, Claus-Michael; Schaefer, Ulrich F
2008-02-01
Mathematical modeling of skin transport is considered a valuable alternative of in-vitro and in-vivo investigations especially considering ethical and economical questions. Mechanistic diffusion models describe skin transport by solving Fick's 2nd law of diffusion in time and space; however models relying entirely on a consistent experimental data set are missing. For a two-dimensional model membrane consisting of a biphasic stratum corneum (SC) and a homogeneous epidermal/dermal compartment (DSL) methods are presented to determine all relevant input parameters. The data were generated for flufenamic acid (M(W) 281.24g/mol; logK(Oct/H2O) 4.8; pK(a) 3.9) and caffeine (M(W) 194.2g/mol; logK(Oct/H2O) -0.083; pK(a) 1.39) using female abdominal skin. K(lip/don) (lipid-donor partition coefficient) was determined in equilibration experiments with human SC lipids. K(cor/lip) (corneocyte-lipid) and K(DSL/lip) (DSL-lipid) were derived from easily available experimental data, i.e. K(SC/don) (SC-donor), K(lip/don) and K(SC/DSL) (SC-DSL) considering realistic volume fractions of the lipid and corneocyte phases. Lipid and DSL diffusion coefficients D(lip) and D(DSL) were calculated based on steady state flux. The corneocyte diffusion coefficient D(cor) is not accessible experimentally and needs to be estimated by simulation. Based on these results time-dependent stratum corneum concentration-depth profiles were simulated and compared to experimental profiles in an accompanying study.
In Vivo Facilitated Diffusion Model
Bauer, Maximilian; Metzler, Ralf
2013-01-01
Under dilute in vitro conditions transcription factors rapidly locate their target sequence on DNA by using the facilitated diffusion mechanism. However, whether this strategy of alternating between three-dimensional bulk diffusion and one-dimensional sliding along the DNA contour is still beneficial in the crowded interior of cells is highly disputed. Here we use a simple model for the bacterial genome inside the cell and present a semi-analytical model for the in vivo target search of transcription factors within the facilitated diffusion framework. Without having to resort to extensive simulations we determine the mean search time of a lac repressor in a living E. coli cell by including parameters deduced from experimental measurements. The results agree very well with experimental findings, and thus the facilitated diffusion picture emerges as a quantitative approach to gene regulation in living bacteria cells. Furthermore we see that the search time is not very sensitive to the parameters characterizing the DNA configuration and that the cell seems to operate very close to optimal conditions for target localization. Local searches as implied by the colocalization mechanism are only found to mildly accelerate the mean search time within our model. PMID:23349772
In vivo facilitated diffusion model.
Bauer, Maximilian; Metzler, Ralf
2013-01-01
Under dilute in vitro conditions transcription factors rapidly locate their target sequence on DNA by using the facilitated diffusion mechanism. However, whether this strategy of alternating between three-dimensional bulk diffusion and one-dimensional sliding along the DNA contour is still beneficial in the crowded interior of cells is highly disputed. Here we use a simple model for the bacterial genome inside the cell and present a semi-analytical model for the in vivo target search of transcription factors within the facilitated diffusion framework. Without having to resort to extensive simulations we determine the mean search time of a lac repressor in a living E. coli cell by including parameters deduced from experimental measurements. The results agree very well with experimental findings, and thus the facilitated diffusion picture emerges as a quantitative approach to gene regulation in living bacteria cells. Furthermore we see that the search time is not very sensitive to the parameters characterizing the DNA configuration and that the cell seems to operate very close to optimal conditions for target localization. Local searches as implied by the colocalization mechanism are only found to mildly accelerate the mean search time within our model.
Isotopic selectivity of surface diffusion: An activated diffusion model
Trowbridge, L.D.
1989-11-01
Gaseous diffusion systems are designed to separate UF{sub 6} isotopes by pumping gas through a microporous membrane. A second mode of transport exists in barrier, namely that of surface diffusion. The primary purpose of this report is to illustrate, with a very simple model, the qualitative behavior of surface diffusion in a way intended to retain the physical insight into how this flow will behave, and to show how it might manifest itself when observed in combination with gas-phase flow. The model developed uses general concepts of activated diffusion and the Langmuir adsorption isotherm to examine surface diffusion from the standpoint of characteristics important to isotope separation, namely the conductivity and isotopic selectivity of surface flow, as a function of temperature, pressure, and adsorption energy. 25 refs., 14 figs., 5 tabs.
Fusion by Diffusion Model Revisited
NASA Astrophysics Data System (ADS)
Cap, T.; Siwek-Wilczyńska, K.; Wilczyński, J.
A complete set of 27 excitation functions for synthesis of superheavy nuclei produced in cold fusion reactions was analyzed in terms of the "Fusion by Diffusion Model" of Światecki et al., modified to account for the angular momentum dependence of the fusion hindrance factor. The data on cold fusion reactions originate from experiments carried out at GSI Darmstadt, RIKEN Tokyo and LBNL Berkeley in which 208Pb and 209Bi targets were bombarded with the variety of projectiles ranging from 48,50Ti to 70Zn.
MODEL OF DIFFUSERS / PERMEATORS FOR HYDROGEN PROCESSING
Hang, T; William Jacobs, W
2007-08-27
Palladium-silver (Pd-Ag) diffusers are mainstays of hydrogen processing. Diffusers separate hydrogen from inert species such as nitrogen, argon or helium. The tubing becomes permeable to hydrogen when heated to more than 250 C and a differential pressure is created across the membrane. The hydrogen diffuses better at higher temperatures. Experimental or experiential results have been the basis for determining or predicting a diffuser's performance. However, the process can be mathematically modeled, and comparison to experimental or other operating data can be utilized to improve the fit of the model. A reliable model-based diffuser system design is the goal which will have impacts on tritium and hydrogen processing. A computer model has been developed to solve the differential equations for diffusion given the operating boundary conditions. The model was compared to operating data for a low pressure diffuser system. The modeling approach and the results are presented in this paper.
Leith diffusion model for homogeneous anisotropic turbulence
NASA Astrophysics Data System (ADS)
Rubinstein, Robert; Clark, Timothy; Kurien, Susan
2016-11-01
A new spectral closure model for homogeneous anisotropic turbulence is proposed. The systematic development begins by closing the third-order correlation describing nonlinear interactions by an anisotropic generalization of the Leith diffusion model for isotropic turbulence. The correlation tensor is then decomposed into a tensorially isotropic part, or directional anisotropy, and a trace-free remainder, or polarization anisotropy. The directional and polarization components are then decomposed using irreducible representations of the SO(3) symmetry group. Under the ansatz that the decomposition is truncated at quadratic order, evolution equations are derived for the directional and polarization pieces of the correlation tensor. Numerical simulation of the model equations for a freely decaying anisotropic flow illustrate the non-trivial effects of spectral dependencies on the different return-to-isotropy rates of the directional and polarization contributions.
Leith diffusion model for homogeneous anisotropic turbulence
Rubinstein, Robert; Clark, Timothy T.; Kurien, Susan
2017-06-01
Here, a proposal for a spectral closure model for homogeneous anisotropic turbulence. The systematic development begins by closing the third-order correlation describing nonlinear interactions by an anisotropic generalization of the Leith diffusion model for isotropic turbulence. The correlation tensor is then decomposed into a tensorially isotropic part, or directional anisotropy, and a trace-free remainder, or polarization anisotropy. The directional and polarization components are then decomposed using irreducible representations of the SO(3) symmetry group. Under the ansatz that the decomposition is truncated at quadratic order, evolution equations are derived for the directional and polarization pieces of the correlation tensor. Here, numericalmore » simulation of the model equations for a freely decaying anisotropic flow illustrate the non-trivial effects of spectral dependencies on the different return-to-isotropy rates of the directional and polarization contributions.« less
Leith diffusion model for homogeneous anisotropic turbulence
Rubinstein, Robert; Clark, Timothy T.; Kurien, Susan
2016-07-19
Here, a proposal for a spectral closure model for homogeneous anisotropic turbulence. The systematic development begins by closing the third-order correlation describing nonlinear interactions by an anisotropic generalization of the Leith diffusion model for isotropic turbulence. The correlation tensor is then decomposed into a tensorially isotropic part, or directional anisotropy, and a trace-free remainder, or polarization anisotropy. The directional and polarization components are then decomposed using irreducible representations of the SO(3) symmetry group. Under the ansatz that the decomposition is truncated at quadratic order, evolution equations are derived for the directional and polarization pieces of the correlation tensor. Here, numerical simulation of the model equations for a freely decaying anisotropic flow illustrate the non-trivial effects of spectral dependencies on the different return-to-isotropy rates of the directional and polarization contributions.
On modeling pressure diffusion in non-homogeneous shear flows
NASA Technical Reports Server (NTRS)
Demuren, A. O.; Rogers, M. M.; Durbin, P.; Lele, S. K.
1996-01-01
New models are proposed for the 'slow and 'rapid' parts of the pressure diffusive transport based on the examination of DNS databases for plane mixing layers and wakes. The model for the 'slow' part is non-local, but requires the distribution of the triple-velocity correlation as a local source. The latter can be computed accurately for the normal component from standard gradient diffusion models, but such models are inadequate for the cross component. More work is required to remedy this situation.
Diffusion of hydrous species in model basaltic melt
NASA Astrophysics Data System (ADS)
Zhang, Li; Guo, Xuan; Wang, Qinxia; Ding, Jiale; Ni, Huaiwei
2017-10-01
Water diffusion in Fe-free model basaltic melt with up to 2 wt% H2O was investigated at 1658-1846 K and 1 GPa in piston-cylinder apparatus using both hydration and diffusion couple techniques. Diffusion profiles measured by FTIR are consistent with a model in which both molecular H2O (H2Om) and hydroxyl (OH) contribute to water diffusion. OH diffusivity is roughly 13% of H2Om diffusivity, showing little dependence on temperature or water concentration. Water diffusion is dominated by the motion of OH until total H2O (H2Ot) concentration reaches 1 wt%. The dependence of apparent H2Ot diffusivity on H2Ot concentration appears to be overestimated by a previous study on MORB melt, but H2Ot diffusivity at 1 wt% H2Ot in basaltic melt is still greater than those in rhyolitic to andesitic melts. The appreciable contribution of OH to water diffusion in basaltic melt can be explained by enhanced mobility of OH, probably associated with the development of free hydroxyl bonded with network-modifying cations, as well as higher OH concentration. Calculation based on the Nernst-Einstein equation demonstrates that OH may serve as an effective charge carrier in hydrous basaltic melt, which could partly account for the previously observed strong influence of water on electrical conductivity of basaltic melt.
Connectionist and diffusion models of reaction time.
Ratcliff, R; Van Zandt, T; McKoon, G
1999-04-01
Two connectionist frameworks, GRAIN (J. L. McClelland, 1993) and brain-state-in-a-box (J. A. Anderson, 1991), and R. Ratcliff's (1978) diffusion model were evaluated using data from a signal detection task. Dependent variables included response probabilities, reaction times for correct and error responses, and shapes of reaction-time distributions. The diffusion model accounted for all aspects of the data, including error reaction times that had previously been a problem for all response-time models. The connectionist models accounted for many aspects of the data adequately, but each failed to a greater or lesser degree in important ways except for one model that was similar to the diffusion model. The findings advance the development of the diffusion model and show that the long tradition of reaction-time research and theory is a fertile domain for development and testing of connectionist assumptions about how decisions are generated over time.
Modeling of hydrogen diffusion in metals
Yang, K.; Cao, M.Z.; Wan, X.J.; Shi, C.X.
1989-02-01
The study of the diffusion of hydrogen in metals is very important to further understand the hydrogen embrittlement of metals. To describe the diffusion of hydrogen in metals the diffusion equation deduced from Fick's law under an ideal condition has been generally used and the effect of hydrogen trapping in metals has been neglected. In the process of hydrogen diffusion through a metal, hydrogen fills the traps continuously and the fraction of the traps filled by hydrogen, which have only little effect on the diffusion of hydrogen, may be different at different places because the distribution of hydrogen concentration may be different at different places. Thus the hydrogen diffusion coefficient in the metal may also be different at different positions, i.e., the diffusion coefficient should be affected by time in a dynamic process of hydrogen diffusion through a metal. But in the previous analyses, the above fact is not considered and the hydrogen diffusion coefficient is generally taken as a constant. In the present paper a new model of hydrogen diffusion in metals in which the effect of time is taken into account is developed.
Evaluation of diffusion models in breast cancer.
Panek, Rafal; Borri, Marco; Orton, Matthew; O'Flynn, Elizabeth; Morgan, Veronica; Giles, Sharon L; deSouza, Nandita; Leach, Martin O; Schmidt, Maria A
2015-08-01
The purpose of this study is to investigate whether the microvascular pseudodiffusion effects resulting with non-monoexponential behavior are present in breast cancer, taking into account tumor spatial heterogeneity. Additionally, methodological factors affecting the signal in low and high diffusion-sensitizing gradient ranges were explored in phantom studies. The effect of eddy currents and accuracy of b-value determination using a multiple b-value diffusion-weighted MR imaging sequence were investigated in test objects. Diffusion model selection and noise were then investigated in volunteers (n = 5) and breast tumor patients (n = 21) using the Bayesian information criterion. 54.3% of lesion voxels were best fitted by a monoexponential, 26.2% by a stretched-exponential, and 19.5% by a biexponential intravoxel incoherent motion (IVIM) model. High correlation (0.92) was observed between diffusion coefficients calculated using mono- and stretched-exponential models and moderate (0.59) between monoexponential and IVIM (medians: 0.96/0.84/0.72 × 10(-3) mm(2)/s, respectively). Distortion due to eddy currents depended on the direction of the diffusion gradient and displacement varied between 1 and 6 mm for high b-value images. Shift in the apparent diffusion coefficient due to intrinsic field gradients was compensated for by averaging diffusion data obtained from opposite directions. Pseudodiffusion and intravoxel heterogeneity effects were not observed in approximately half of breast cancer and normal tissue voxels. This result indicates that stretched and IVIM models should be utilized in regional analysis rather than global tumor assessment. Cross terms between diffusion-sensitization gradients and other imaging or susceptibility-related gradients are relevant in clinical protocols, supporting the use of geometric averaging of diffusion-weighted images acquired with diffusion-sensitization gradients in opposite directions.
Multipath diffusion: A general numerical model
NASA Astrophysics Data System (ADS)
Lee, J. K. W.; Aldama, A. A.
1992-06-01
The effect of high-diffusivity pathways on bulk diffusion of a solute in a material has been modeled previously for simple geometries such as those in tracer diffusion experiments, but not for the geometries and boundary conditions appropriate for experiments involving bulk exchange. Using a coupled system of equations for simultaneous diffusion of a solute through two families of diffusion pathways with differing diffusivities, a general 1-D finite difference model written in FORTRAN has been developed which can be used to examine the effect of high-diffusivity paths on partial and total concentration profiles within a homogeneous isotropic sphere, infinite cylinder, and infinite slab. The partial differential equations are discretized using the θ-method/central-difference scheme, and an iterative procedure analogous to the Gauss-Seidel method is employed to solve the two systems of coupled equations. Using Fourier convergence analysis, the procedure is shown to be unconditionally convergent. Computer simulations demonstrate that a multipath diffusion mechanism can enhance significantly the bulk diffusivity of a diffusing solute species through a material. The amount of solute escaping from a material is dependent strongly on the exchange coefficients, which govern the transfer of solute from the crystal lattice to the high-diffusivity paths and vice versa. In addition, the exchange coefficients ( ϰ1, and ϰ2) seem to control not only the amount of solute that is lost, but also the shape of the concentration profile. If | K1| < | K2|, concentration profiles generally are non-Fickian in shape, typically having shallow concentration gradients near the center (radius r = 0) and steep gradients towards the outer boundary of the material ( r = R). When | K1| ⩾ | K2| a concentration profile is generated which resembles a Fickian (volume) diffusion profile with an apparent bulk diffusivity between that of the crystal lattice and that of the high-diffusivity pathways
Double diffusivity model under stochastic forcing
NASA Astrophysics Data System (ADS)
Chattopadhyay, Amit K.; Aifantis, Elias C.
2017-05-01
The "double diffusivity" model was proposed in the late 1970s, and reworked in the early 1980s, as a continuum counterpart to existing discrete models of diffusion corresponding to high diffusivity paths, such as grain boundaries and dislocation lines. It was later rejuvenated in the 1990s to interpret experimental results on diffusion in polycrystalline and nanocrystalline specimens where grain boundaries and triple grain boundary junctions act as high diffusivity paths. Technically, the model pans out as a system of coupled Fick-type diffusion equations to represent "regular" and "high" diffusivity paths with "source terms" accounting for the mass exchange between the two paths. The model remit was extended by analogy to describe flow in porous media with double porosity, as well as to model heat conduction in media with two nonequilibrium local temperature baths, e.g., ion and electron baths. Uncoupling of the two partial differential equations leads to a higher-ordered diffusion equation, solutions of which could be obtained in terms of classical diffusion equation solutions. Similar equations could also be derived within an "internal length" gradient (ILG) mechanics formulation applied to diffusion problems, i.e., by introducing nonlocal effects, together with inertia and viscosity, in a mechanics based formulation of diffusion theory. While being remarkably successful in studies related to various aspects of transport in inhomogeneous media with deterministic microstructures and nanostructures, its implications in the presence of stochasticity have not yet been considered. This issue becomes particularly important in the case of diffusion in nanopolycrystals whose deterministic ILG-based theoretical calculations predict a relaxation time that is only about one-tenth of the actual experimentally verified time scale. This article provides the "missing link" in this estimation by adding a vital element in the ILG structure, that of stochasticity, that takes into
Diffusion Background Model for Moving Objects Detection
NASA Astrophysics Data System (ADS)
Vishnyakov, B. V.; Sidyakin, S. V.; Vizilter, Y. V.
2015-05-01
In this paper, we propose a new approach for moving objects detection in video surveillance systems. It is based on construction of the regression diffusion maps for the image sequence. This approach is completely different from the state of the art approaches. We show that the motion analysis method, based on diffusion maps, allows objects that move with different speed or even stop for a short while to be uniformly detected. We show that proposed model is comparable to the most popular modern background models. We also show several ways of speeding up diffusion maps algorithm itself.
Background Error Correlation Modeling with Diffusion Operators
2013-01-01
a general procedure for constructing a BEC model as a rational function of the diffusion operator D is presented and analytic expressions for the...Under the assumption of local homogeneity of D , a heuristic method for computing the diagonal elements of B is proposed. It is shown that the...In this chap- ter, a general procedure for constructing a BEC model as a rational function of the diffusion operator D is presented and analytic
Diffusion of bacteriophages through artificial biofilm models.
Hu, Jun; Miyanaga, Kazuhiko; Tanji, Yasunori
2012-01-01
The simple two-chamber diffusion method was improved to study the diffusion properties of bacteriophage (phage) T4 through a model biofilm agarose gel membrane (AGM) embedded with dead host Escherichia coli K12 cells. The apparent diffusion coefficient (D(app) ) of phage T4 was calculated to be 2.4 × 10(-12) m(2) /s in 0.5% AGM, which was lower than the coefficient of 4.2 × 10(-12) m(2) /s in 0.5% AGM without host cells. The phage adsorption process by dead host cells slowed the apparent phage diffusion. The Langmuir adsorption equation was used to simulate phage adsorption under different multiplicity of infections (MOIs); the maximum adsorbed phage MOI was calculated to be 417 PFU/CFU, and the Langmuir adsorption constant K(L) was 6.9 × 10(-4) CFU/PFU. To evaluate the effects of phage proliferation on diffusion, a simple syringe-based biofilm model was developed. The phage was added into this homogenous biofilm model when the host cells were in an exponential growth phase, and the apparent diffusion coefficient was greatly enhanced. We concluded that D(app) of phages through biofilms could be distinctly affected by phage adsorption and proliferation, and that the idea of D(app) and these methods can be used to study diffusion properties through real biofilms. Copyright © 2011 American Institute of Chemical Engineers (AIChE).
Unified model for impurity diffusion in silicon
NASA Astrophysics Data System (ADS)
Orlowski, M.
1988-10-01
A new theoretical framework for impurity diffusion in silicon is proposed. The basic mechanism employed here is the point defect-impurity pair diffusion as presented by Mulvaney and Richardson [Appl. Phys. Lett. 51, 1439 (1987)] in a generalized description of the impurity-interstitial model by Morehead and Lever [Appl. Phys. Lett. 48, 151 (1986)]. The model consists of coupled equations for the impurities and point defects, in which all species including structural defects (major new process variables) are treated on the same footing. Among other things, the model accounts for long-range point defect mediated enhancement and retardation of the diffusion. The essential features of the present formalism are the new equations for interstitials and vacancies which provide the major coupling between the impurities apart from the coupling via the Fermi level. This approach allows, for the first time, a consistent analysis and exploration of the diffusion phenomena step by step on various levels of complexity.
NASA Technical Reports Server (NTRS)
Opila, Elizabeth J.; Smialek, James L.; Robinson, Raymond C.; Fox, Dennis S.; Jacobson, Nathan S.
1998-01-01
In combustion environments, volatilization of SiO2 to Si-O-H(g) species is a critical issue. Available thermochemical data for Si-O-H(g) species were used to calculate boundary layer controlled fluxes from SiO2. Calculated fluxes were compared to volatilization rates Of SiO2 scales grown on SiC which were measured in Part 1 of this paper. Calculated volatilization rates were also compared to those measured in synthetic combustion gas furnace tests. Probable vapor species were identified in both fuel-lean and fuel-rich combustion environments based on the observed pressure, temperature and velocity dependencies as well as the magnitude of the volatility rate. Water vapor is responsible for the degradation of SiO2 in the fuel-lean environment. Silica volatility in fuel-lean combustion environments is attributed primarily to the formation of Si(OH)4(g) with a small contribution of SiO(OH)2(g).
Diffusion Decision Model: Current Issues and History
Ratcliff, Roger; Smith, Philip L.; Brown, Scott D.; McKoon, Gail
2016-01-01
There is growing interest in diffusion models to represent the cognitive and neural processes of speeded decision making. Sequential-sampling models like the diffusion model have a long history in psychology. They view decision making as a process of noisy accumulation of evidence from a stimulus. The standard model assumes that evidence accumulates at a constant rate during the second or two it takes to make a decision. This process can be linked to the behaviors of populations of neurons and to theories of optimality. Diffusion models have been used successfully in a range of cognitive tasks and as psychometric tools in clinical research to examine individual differences. In this article, we relate the models to both earlier and more recent research in psychology. PMID:26952739
Diffusion in energy materials: Governing dynamics from atomistic modelling
NASA Astrophysics Data System (ADS)
Parfitt, D.; Kordatos, A.; Filippatos, P. P.; Chroneos, A.
2017-09-01
Understanding diffusion in energy materials is critical to optimising the performance of solid oxide fuel cells (SOFCs) and batteries both of which are of great technological interest as they offer high efficiency for cleaner energy conversion and storage. In the present review, we highlight the insights offered by atomistic modelling of the ionic diffusion mechanisms in SOFCs and batteries and how the growing predictive capability of high-throughput modelling, together with our new ability to control compositions and microstructures, will produce advanced materials that are designed rather than chosen for a given application. The first part of the review focuses on the oxygen diffusion mechanisms in cathode and electrolyte materials for SOFCs and in particular, doped ceria and perovskite-related phases with anisotropic structures. The second part focuses on disordered oxides and two-dimensional materials as these are very promising systems for battery applications.
Modeling of hydrogen-air diffusion flame
NASA Technical Reports Server (NTRS)
Isaac, Kakkattukuzhy
1988-01-01
The present research objective is to determine the effects of contaminants on extinction limits of simple, well defined, counterflow Hydrogen 2-air diffusion flames, with combustion at 1 atmosphere. Results of extinction studies and other flame characterizations, with appropriate mechanistic modeling (presently underway), will be used to rationalize the observed effects of contamination over a reasonably wide range of diffusion flame conditions. The knowledge gained should help efforts to anticipate the effects of contaminants on combustion processes in Hydrogen 2-fueled scramjets.
ERIC Educational Resources Information Center
Callison, Daniel
2002-01-01
Defines models and describes information search models that can be helpful to instructional media specialists in meeting users' abilities and information needs. Explains pathfinders and Kuhlthau's information search process, including the pre-writing information search process. (LRW)
Simple diffusion hopping model with convection
NASA Astrophysics Data System (ADS)
Fitzgerald, Barry W.; Padding, Johan T.; van Santen, Rutger
2017-01-01
We present results from a new variant of a diffusion hopping model, the convective diffusive lattice model, to describe the behavior of a particulate flux around bluff obstacles. Particle interactions are constrained to an underlying square lattice where particles are subject to excluded volume conditions. In an extension to previous models, we impose a real continuous velocity field upon the lattice such that particles have an associated velocity vector. We use this velocity field to mediate the position update of the particles through the use of a convective update after which particles also undergo diffusion. We demonstrate the emergence of an expected wake behind a square obstacle which increases in size with increasing object size. For larger objects we observe the presence of recirculation zones marked by the presence of symmetric vortices in qualitative agreement with experiment and previous simulations.
Analytical boron diffusivity model in silicon for thermal diffusion from boron silicate glass film
NASA Astrophysics Data System (ADS)
Kurachi, Ikuo; Yoshioka, Kentaro
2015-09-01
An analytical boron diffusivity model in silicon for thermal diffusion from a boron silicate glass (BSG) film has been proposed in terms of enhanced diffusion due to boron-silicon interstitial pair formation. The silicon interstitial generation is considered to be a result of the silicon kick-out mechanism by the diffused boron at the surface. The additional silicon interstitial generation in the bulk silicon is considered to be the dissociation of the diffused pairs. The former one causes the surface boron concentration dependent diffusion. The latter one causes the local boron concentration dependent diffusion. The calculated boron profiles based on the diffusivity model are confirmed to agree with the actual diffusion profiles measured by secondary ion mass spectroscopy (SIMS) for a wide range of the BSG boron concentration. This analytical diffusivity model is a helpful tool for p+ boron diffusion process optimization of n-type solar cell manufacturing.
Mathematical modeling of molecular diffusion through mucus
Cu, Yen; Saltzman, W. Mark
2008-01-01
The rate of molecular transport through the mucus gel can be an important determinant of efficacy for therapeutic agents delivered by oral, intranasal, intravaginal/rectal, and intraocular routes. Transport through mucus can be described by mathematical models based on principles of physical chemistry and known characteristics of the mucus gel, its constituents, and of the drug itself. In this paper, we review mathematical models of molecular diffusion in mucus, as well as the techniques commonly used to measure diffusion of solutes in the mucus gel, mucus gel mimics, and mucosal epithelia. PMID:19135488
Models of anomalous diffusion: the subdiffusive case
NASA Astrophysics Data System (ADS)
Piryatinska, A.; Saichev, A. I.; Woyczynski, W. A.
2005-04-01
The paper discusses a model for anomalous diffusion processes. Their one-point probability density functions (p.d.f.) are exact solutions of fractional diffusion equations. The model reflects the asymptotic behavior of a jump (anomalous random walk) process with random jump sizes and random inter-jump time intervals with infinite means (and variances) which do not satisfy the Law of Large Numbers. In the case when these intervals have a fractional exponential p.d.f., the fractional Komogorov-Feller equation for the corresponding anomalous diffusion is provided and methods of finding its solutions are discussed. Finally, some statistical properties of solutions of the related Langevin equation are studied. The subdiffusive case is explored in detail. The emphasis is on a rigorous presentation which, however, would be accessible to the physical sciences audience.
Assessment of diffuse radiation models in Azores
NASA Astrophysics Data System (ADS)
Magarreiro, Clarisse; Brito, Miguel; Soares, Pedro; Azevedo, Eduardo
2014-05-01
Measured irradiance databases usually consist of global solar radiation data with limited spatial coverage. Hence, solar radiation models have been developed to estimate the diffuse fraction from the measured global irradiation. This information is critical for the assessment of the potential of solar energy technologies; for example, the decision to use photovoltaic systems with tracking system. The different solar radiation models for this purpose differ on the parameters used as input. The simplest, and most common, are models which use global radiation information only. More sophisticated models require meteorological parameters such as information from clouds, atmospheric turbidity, temperature or precipitable water content. Most of these models comprise correlations with the clearness index, kt (portion of horizontal extra-terrestrial radiation reaching the Earth's surface) to obtain the diffuse fraction kd (portion of diffuse component from global radiation). The applicability of these different models is related to the local atmospheric conditions and its climatic characteristics. The models are not of general validity and can only be applicable to locations where the albedo of the surrounding terrain and the atmospheric contamination by dust are not significantly different from those where the corresponding methods were developed. Thus, models of diffuse fraction exhibit a relevant degree of location dependence: e.g. models developed considering data acquired in Europe are mainly linked to Northern, Central or, more recently, Mediterranean areas. The Azores Archipelago, with its particular climate and cloud cover characteristics, different from mainland Europe, has not yet been considered for the development of testing of such models. The Azorean climate reveals large amounts of cloud cover in its annual cycle, with spatial and temporal variabilities more complex than the common Summer/Winter pattern. This study explores the applicability of different
Diffusion and Advection using Cellular Potts Model
NASA Astrophysics Data System (ADS)
Dan, Debasis; Glazier, James
2005-03-01
The Cellular Potts Model (CPM) is a robust cell level methodology for simulation of biological tissues and morphogenesis. Standard diffusion solvers in the CPM use finite difference methods on the underlying CPM lattice. These methods have difficulty in simulating local advection in the ECM due to physiology and morphogenesis. To circumvent the problem of instabilities we simulate advection-diffusion within the framework of CPM using off-lattice finite-difference methods. We define a set of generalised fluid "cells" or particles which separate advection and diffusion from the lattice. Diffusion occurs between neighboring fluid cells by local averaging rules which approximate the Laplacian. CPM movement of the cells by spin flips handles the advection. The extension allows the CPM to model viscosity explicitly by including a relative velocity constraint on the fluid. The extended CPM correctly reproduces flow profiles of viscous fluids in cylindrical tube, during Stokes flow across a sphere and in flow in concentric cylindrical shells. We illustrate various conditions for diffusion including multiple instantaneous sources, continuous sources, moving sources and different boundary geometries and conditions to validate our approximation by comparing with analytical and established numerical solutions.
Models, Part V: Composition Models.
ERIC Educational Resources Information Center
Callison, Daniel
2003-01-01
Describes four models: The Authoring Cycle, a whole language approach that reflects the inquiry process; I-Search, an approach to research that uses the power of student interests; Cultural Celebration, using local heritage topics; and Science Lab Report, for the composition of a lab report. (LRW)
Modelling Diffusion of a Personalized Learning Framework
ERIC Educational Resources Information Center
Karmeshu; Raman, Raghu; Nedungadi, Prema
2012-01-01
A new modelling approach for diffusion of personalized learning as an educational process innovation in social group comprising adopter-teachers is proposed. An empirical analysis regarding the perception of 261 adopter-teachers from 18 schools in India about a particular personalized learning framework has been made. Based on this analysis,…
Modelling Diffusion of a Personalized Learning Framework
ERIC Educational Resources Information Center
Karmeshu; Raman, Raghu; Nedungadi, Prema
2012-01-01
A new modelling approach for diffusion of personalized learning as an educational process innovation in social group comprising adopter-teachers is proposed. An empirical analysis regarding the perception of 261 adopter-teachers from 18 schools in India about a particular personalized learning framework has been made. Based on this analysis,…
Diffusion of Macromolecules in Model Oral Biofilms▿
Takenaka, Shoji; Pitts, Betsey; Trivedi, Harsh M.; Stewart, Philip S.
2009-01-01
The diffusive penetration of fluorescently tagged macromolecular solutes into model oral biofilms was visualized by time-lapse microscopy. All of the solutes tested, including dextrans, proteases, green fluorescent protein, and immunoglobulin G, accessed the interior of cell clusters 100 to 200 μm in diameter within 3 min or less. PMID:19168660
A Systems Model for Assessment and Diffusion.
ERIC Educational Resources Information Center
Toomb, Kevin; And Others
The Florida Assessment and Diffusion System (FADS) represents a systematic approach to organizational change, emphasizing the interpersonal communication dimension of the change process. FADS encourages a systems approach to change, but is flexible enough to allow for procedural changes in response to specific user needs. The model assumes a…
Leader in a diffusion competition model
NASA Astrophysics Data System (ADS)
Razzhevaikin, V. N.
2015-03-01
A one-dimensional Cauchy problem is considered for a system of reaction-diffusion equations that, in the point version, generalizes the Volterra competition model. It is proved that the number of the leader in the propagation velocity of nonvanishing solution values at the periphery is independent of nonnegative finite initial distributions.
A Systems Model for Assessment and Diffusion.
ERIC Educational Resources Information Center
Toomb, Kevin; And Others
The Florida Assessment and Diffusion System (FADS) represents a systematic approach to organizational change, emphasizing the interpersonal communication dimension of the change process. FADS encourages a systems approach to change, but is flexible enough to allow for procedural changes in response to specific user needs. The model assumes a…
Generalized Drift-Diffusion Model In Semiconductors
Mesbah, S.; Bendib-Kalache, K.; Bendib, A.
2008-09-23
A new drift-diffusion model is proposed based on the computation of the stationary nonlocal current density. The semi classical Boltzmann equation is solved keeping all the anisotropies of the distribution function with the use of the continued fractions. The conductivity is calculated in the linear approximation and for arbitrary collision frequency with respect to Kv{sub t} where K{sup -1} is the characteristic length scale of the system and V{sub t} is the thermal velocity. The nonlocal conductivity can be used to close the generalized drift-diffusion equations valid for arbitrary collisionality.
NASA Astrophysics Data System (ADS)
Morgan, D. J.; Chamberlain, K. J.; Kahl, M.; Potts, N. J.; Pankhurst, M. J.; Wilson, C. J. N.
2014-12-01
Over the past 20 years, diffusion chronometers have evolved from a niche tool into one of routine application, with more practitioners, new tools and increasingly large datasets. As we expand the horizons of diffusional geochronometry, it is worth taking stock of developments in methodologies and data acquisition, and taking time to revisit the underpinnings of the technique. Data collected as part of recent projects on Campi Flegrei, the Bishop Tuff and Fimmvörðuháls-Eyjafjallajökull are here used to investigate the initial state assumption, an absolutely vital aspect underpinning most diffusional work and one that is rarely evaluated despite its fundamental importance. To illustrate the nature of the problem we consider two widely-used element-mineral systems for felsic and mafic systems, respectively. First, barium and strontium profiles within sanidine crystals, modelled independently, can give strongly contrasting timescales from the same crystal zone. We can reconcile the datasets only for a situation where the initial boundary within the crystal was not a sharp step function, but relatively fuzzy before diffusion onset. This fuzziness effectively starts both chronometers off with an apparent, and false, pre-existing timescale, impacting the slower-diffusing barium much more strongly than the faster-diffusing strontium, yielding thousands of years of non-existent diffusion history. By combining both elements, a starting width of tens of microns can be shown, shortening the true diffusive timescales from tens of thousands of years to hundreds. Second, in olivine, we encounter different growth-related problems. Here, Fe-Mg interdiffusion occurs at a rate comparable to growth, with the compound nature of zonation making it difficult to extract the diffusion component. This requires a treatment of changing boundary conditions and sequential growth to generate the curvature seen in natural data, in order to recover timescales for anything but the outermost
Coupled chemical and diffusion model for compacted bentonite
Olin, M.; Lehikoinen, J.; Muurinen, A.
1995-12-31
A chemical equilibrium model has been developed for ion-exchange and to a limited extent for other reactions, such as precipitation or dissolution of calcite or gypsum, in compacted bentonite water systems. The model was successfully applied to some bentonite experiments, especially as far as monovalent ions were concerned. The fitted log-binding constants for the exchange of sodium for potassium, magnesium, and calcium were 0.27, 1.50, and 2.10, respectively. In addition, a coupled chemical and diffusion model has been developed to take account of diffusion in pore water, surface diffusion and ion-exchange.d the model was applied to the same experiments as the chemical equilibrium model, and its validation was found partly successful. The above values for binding constants were used also in the coupled model. The apparent (both for anions and cations) and surface diffusion (only for cations) constants yielding the best agreement between calculated and experimental data were 3.0 {times} 10{sup {minus}11} m{sup 2}/s and 6.0 {times} 10{sup {minus}12} m{sup 2}/s, respectively. These values are questionable, however, as experimental results good enough for fitting are currently not available.
Analytic modeling of a spray diffusion flame
NASA Technical Reports Server (NTRS)
Harsha, P. T.; Edelman, R. B.
1984-01-01
A detailed model for a spray diffusion flame is described. The model is based on the boundary layer form of the equations of motion, with droplet transport accounted for using a discretized droplet size distribution function. Interphase transport of mass and energy are accounted for, with a flame-sheet model used to describe the combustion process on a droplet scale. Near dynamic equilibrium is assumed for the description of droplet transport; droplets can diffuse relative to the gas phase. Gas-phase mixing is accounted for using a two-equation turbulence model; buoyancy effects are included, with a temperature fluctuation equation used to account for buoyancy effects on turbulence structure. Thermal radiation from gas-phase CO2 and H2O is included. Gas-phase chemical kinetics are modeled using a 20-reaction, 10-species version of the advanced quasi-global chemical kinetics formulation. Results are compared with data for a vaporizing Freon spray and a pentane spray flame. It is shown that the computational approach provides a reasonably valid picture of the overall development of a spray diffusion flame, and, furthermore, provides a useful tool for the parametric examination of the spray combustion process.
Analytic modeling of a spray diffusion flame
NASA Astrophysics Data System (ADS)
Harsha, P. T.; Edelman, R. B.
1984-06-01
A detailed model for a spray diffusion flame is described. The model is based on the boundary layer form of the equations of motion, with droplet transport accounted for using a discretized droplet size distribution function. Interphase transport of mass and energy are accounted for, with a flame-sheet model used to describe the combustion process on a droplet scale. Near dynamic equilibrium is assumed for the description of droplet transport; droplets can diffuse relative to the gas phase. Gas-phase mixing is accounted for using a two-equation turbulence model; buoyancy effects are included, with a temperature fluctuation equation used to account for buoyancy effects on turbulence structure. Thermal radiation from gas-phase CO2 and H2O is included. Gas-phase chemical kinetics are modeled using a 20-reaction, 10-species version of the advanced quasi-global chemical kinetics formulation. Results are compared with data for a vaporizing Freon spray and a pentane spray flame. It is shown that the computational approach provides a reasonably valid picture of the overall development of a spray diffusion flame, and, furthermore, provides a useful tool for the parametric examination of the spray combustion process.
A gravitational diffusion model without dark matter
Britten, Roy J.
1998-01-01
In this model, without dark matter, the flat rotation curves of galaxies and the mass-to-light ratios of clusters of galaxies are described quantitatively. The hypothesis is that the agent of gravitational force is propagated as if it were scattered with a mean free path of ≈5 kiloparsecs. As a result, the force between moderately distant masses, separated by more than the mean free path, diminishes as the inverse first power of the distance, following diffusion equations, and describes the flat rotation curves of galaxies. The force between masses separated by <1 kiloparsec diminishes as the inverse square of distance. The excess gravitational force (ratio of 1/r:1/r2) increases with the scale of structures from galaxies to clusters of galaxies. However, there is reduced force at great distances because of the ≈12 billion years that has been available for diffusion to occur. This model with a mean free path of ≈5 kiloparsecs predicts a maximum excess force of a few hundredfold for objects the size of galactic clusters a few megaparsecs in size. With only a single free parameter, the predicted curve for excess gravitational force vs. size of structures fits reasonably well with observations from those for dwarf galaxies through galactic clusters. Under the diffusion model, no matter is proposed in addition to the observed baryons plus radiation and thus the proposed density of the universe is only a few percent of that required for closure. PMID:9520368
Double diffusion in arbitrary porous cavity: Part I
NASA Astrophysics Data System (ADS)
Ahamad, N. Ameer; Soudagar, Manzoor Elahi M.; Badruddin, Irfan Anjum
2017-07-01
Double diffusion refers to the heat and mass transfer that takes place simultaneously. The current work highlights the double diffusion when a solid block is placed at the bottom of a square porous cavity. The whole cavity is filed with saturated porous medium except the small block placed at the bottom left corner of the domain. The left vertical surface of porous cavity is maintained at concentration Ch and right vertical surface possesses lowest concentration Cc in the porous domain. The results are discussed in terms of isotherms, iso-concentration and streamlines inside the domain for various physical parameters. It is seen that the mass transfer is substantially different in present case as compared to the case of natural convection.
A Diffuse Interface Model with Immiscibility Preservation
Tiwari, Arpit; Freund, Jonathan B.; Pantano, Carlos
2013-01-01
A new, simple, and computationally efficient interface capturing scheme based on a diffuse interface approach is presented for simulation of compressible multiphase flows. Multi-fluid interfaces are represented using field variables (interface functions) with associated transport equations that are augmented, with respect to an established formulation, to enforce a selected interface thickness. The resulting interface region can be set just thick enough to be resolved by the underlying mesh and numerical method, yet thin enough to provide an efficient model for dynamics of well-resolved scales. A key advance in the present method is that the interface regularization is asymptotically compatible with the thermodynamic mixture laws of the mixture model upon which it is constructed. It incorporates first-order pressure and velocity non-equilibrium effects while preserving interface conditions for equilibrium flows, even within the thin diffused mixture region. We first quantify the improved convergence of this formulation in some widely used one-dimensional configurations, then show that it enables fundamentally better simulations of bubble dynamics. Demonstrations include both a spherical bubble collapse, which is shown to maintain excellent symmetry despite the Cartesian mesh, and a jetting bubble collapse adjacent a wall. Comparisons show that without the new formulation the jet is suppressed by numerical diffusion leading to qualitatively incorrect results. PMID:24058207
A diffuse interface model with immiscibility preservation
Tiwari, Arpit; Freund, Jonathan B.; Pantano, Carlos
2013-11-01
A new, simple, and computationally efficient interface capturing scheme based on a diffuse interface approach is presented for simulation of compressible multiphase flows. Multi-fluid interfaces are represented using field variables (interface functions) with associated transport equations that are augmented, with respect to an established formulation, to enforce a selected interface thickness. The resulting interface region can be set just thick enough to be resolved by the underlying mesh and numerical method, yet thin enough to provide an efficient model for dynamics of well-resolved scales. A key advance in the present method is that the interface regularization is asymptotically compatible with the thermodynamic mixture laws of the mixture model upon which it is constructed. It incorporates first-order pressure and velocity non-equilibrium effects while preserving interface conditions for equilibrium flows, even within the thin diffused mixture region. We first quantify the improved convergence of this formulation in some widely used one-dimensional configurations, then show that it enables fundamentally better simulations of bubble dynamics. Demonstrations include both a spherical-bubble collapse, which is shown to maintain excellent symmetry despite the Cartesian mesh, and a jetting bubble collapse adjacent a wall. Comparisons show that without the new formulation the jet is suppressed by numerical diffusion leading to qualitatively incorrect results.
A High Diffusive Model for Nanomaterials.
Di Sia, P; Dallacasa, V
2011-12-01
Considerable attention is today devoted to the engineering of films widely used in photocatalytic, solar energy converters, photochemical and photoelectrochemical cells, dye-sensitized solar cells (DSSCs), to optimize electronic time response following photogeneration. However, the precise nature of transport processes in these systems has remained unresolved. To investigate such aspects of carrier dynamics, we have suggested a model for the calculation of correlation functions, expressed as the Fourier transform of the frequency-dependent complex conductivity σ(ω). Results are presented for the velocity correlation functions, the mean square deviation of position and the diffusion coefficient in systems, like TiO2 and doped Si, of large interest in present devices. Fast diffusion occurs in short time intervals of the order of few collision times. Consequences for efficiency of this fast response are discussed in relation to nanostructured devices.
Anomalous diffusion in a symbolic model
NASA Astrophysics Data System (ADS)
Ribeiro, H. V.; Lenzi, E. K.; Mendes, R. S.; Santoro, P. A.
2011-04-01
In this work, we investigate some statistical properties of symbolic sequences generated by a numerical procedure in which the symbols are repeated following the power-law probability density. In this analysis, we consider that the sum of n symbols represents the position of a particle in erratic movement. This approach reveals a rich diffusive scenario characterized by non-Gaussian distribution and, depending on the power-law exponent or the procedure used to build the walker, we may have superdiffusion, subdiffusion or usual diffusion. Additionally, we use the continuous-time random walk framework to compare the analytic results with the numerical data, thereby finding good agreement. Because of its simplicity and flexibility, this model can be a candidate for describing real systems governed by power-law probability densities.
Creatinine Diffusion Modeling in Capacitive Sensors
NASA Astrophysics Data System (ADS)
Mohabbati-Kalejahi, Elham; Azimirad, Vahid; Bahrami, Manouchehr
2016-12-01
In this paper, creatinine diffusion in capacitive sensors is discussed. The factors influencing the response time of creatinine biosensors are mathematically formulated and then three novel approaches for decreasing the response time are presented. At first, a piezoelectric actuator is used to vibrate the microtube that contains the blood sample, in order to reduce the viscosity of blood, and thus to increase the coefficient of diffusion. Then, the blood sample is assumed to be pushed through a porous medium, and the relevant conditions are investigated. Finally, the effect of the dentate shape of dielectric on response time is studied. The algorithms and the mathematical models are presented and discussed, and the results of simulations are illustrated. The response times for the first, second and third method are 60, 0.036 and about 31 s, respectively. It is also found that pumping results in very fast responses.
Distributed Energy Resources Market Diffusion Model
Maribu, Karl Magnus; Firestone, Ryan; Marnay, Chris; Siddiqui,Afzal S.
2006-06-16
Distributed generation (DG) technologies, such as gas-fired reciprocating engines and microturbines, have been found to be economically beneficial in meeting commercial-sector electrical, heating, and cooling loads. Even though the electric-only efficiency of DG is lower than that offered by traditional central stations, combined heat and power (CHP) applications using recovered heat can make the overall system energy efficiency of distributed energy resources (DER) greater. From a policy perspective, however, it would be useful to have good estimates of penetration rates of DER under various economic and regulatory scenarios. In order to examine the extent to which DER systems may be adopted at a national level, we model the diffusion of DER in the US commercial building sector under different technical research and technology outreach scenarios. In this context, technology market diffusion is assumed to depend on the system's economic attractiveness and the developer's knowledge about the technology. The latter can be spread both by word-of-mouth and by public outreach programs. To account for regional differences in energy markets and climates, as well as the economic potential for different building types, optimal DER systems are found for several building types and regions. Technology diffusion is then predicted via two scenarios: a baseline scenario and a program scenario, in which more research improves DER performance and stronger technology outreach programs increase DER knowledge. The results depict a large and diverse market where both optimal installed capacity and profitability vary significantly across regions and building types. According to the technology diffusion model, the West region will take the lead in DER installations mainly due to high electricity prices, followed by a later adoption in the Northeast and Midwest regions. Since the DER market is in an early stage, both technology research and outreach programs have the potential to increase
Diffusion through thin membranes: Modeling across scales
NASA Astrophysics Data System (ADS)
Aho, Vesa; Mattila, Keijo; Kühn, Thomas; Kekäläinen, Pekka; Pulkkinen, Otto; Minussi, Roberta Brondani; Vihinen-Ranta, Maija; Timonen, Jussi
2016-04-01
From macroscopic to microscopic scales it is demonstrated that diffusion through membranes can be modeled using specific boundary conditions across them. The membranes are here considered thin in comparison to the overall size of the system. In a macroscopic scale the membrane is introduced as a transmission boundary condition, which enables an effective modeling of systems that involve multiple scales. In a mesoscopic scale, a numerical lattice-Boltzmann scheme with a partial-bounceback condition at the membrane is proposed and analyzed. It is shown that this mesoscopic approach provides a consistent approximation of the transmission boundary condition. Furthermore, analysis of the mesoscopic scheme gives rise to an expression for the permeability of a thin membrane as a function of a mesoscopic transmission parameter. In a microscopic model, the mean waiting time for a passage of a particle through the membrane is in accordance with this permeability. Numerical results computed with the mesoscopic scheme are then compared successfully with analytical solutions derived in a macroscopic scale, and the membrane model introduced here is used to simulate diffusive transport between the cell nucleus and cytoplasm through the nuclear envelope in a realistic cell model based on fluorescence microscopy data. By comparing the simulated fluorophore transport to the experimental one, we determine the permeability of the nuclear envelope of HeLa cells to enhanced yellow fluorescent protein.
An Autocatalytic Model for the Diffusion of Educational Innovations.
ERIC Educational Resources Information Center
Lawton, Stephen B.; Lawton, William H.
This paper reviews a number of past studies in the field of diffusion research, describing the major features of each diffusion model and discussing its value for predicting the spread of educational innovations. Following this review, the author presents a new autocatalytic diffusion model based on the mathematical models of epidemiologists and…
Elements of a Model State Education Agency Diffusion System.
ERIC Educational Resources Information Center
Mojkowski, Charles
A study, presented to the National Dissemination Conference, provides a conceptualization of a model diffusion system as it might exist within a state education agency (SEA) and places this diffusion model within the context of the SEA's expanding role as an educational service. Five conclusions were reached regarding a model diffusion system.…
Distributed Wind Diffusion Model Overview (Presentation)
Preus, R.; Drury, E.; Sigrin, B.; Gleason, M.
2014-07-01
Distributed wind market demand is driven by current and future wind price and performance, along with several non-price market factors like financing terms, retail electricity rates and rate structures, future wind incentives, and others. We developed a new distributed wind technology diffusion model for the contiguous United States that combines hourly wind speed data at 200m resolution with high resolution electricity load data for various consumer segments (e.g., residential, commercial, industrial), electricity rates and rate structures for utility service territories, incentive data, and high resolution tree cover. The model first calculates the economics of distributed wind at high spatial resolution for each market segment, and then uses a Bass diffusion framework to estimate the evolution of market demand over time. The model provides a fundamental new tool for characterizing how distributed wind market potential could be impacted by a range of future conditions, such as electricity price escalations, improvements in wind generator performance and installed cost, and new financing structures. This paper describes model methodology and presents sample results for distributed wind market potential in the contiguous U.S. through 2050.
Wind and Diffusion Modeling for Complex Terrain.
NASA Astrophysics Data System (ADS)
Cox, Robert M.; Sontowski, John; Fry, Richard N., Jr.; Dougherty, Catherine M.; Smith, Thomas J.
1998-10-01
Atmospheric transport and dispersion over complex terrain were investigated. Meteorological and sulfur hexafluoride (SF6) concentration data were collected and used to evaluate the performance of a transport and diffusion model coupled with a mass consistency wind field model. Meteorological data were collected throughout April 1995. Both meteorological and plume location and concentration data were measured in December 1995. The meteorological data included measurements taken at 11-15 surface stations, one to three upper-air stations, and one mobile profiler. A range of conditions was encountered, including inversion and postinversion breakup, light to strong winds, and a broad distribution of wind directions.The models used were the MINERVE mass consistency wind model and the SCIPUFF (Second-Order Closure Integrated Puff) transport and diffusion model. These models were expected to provide and use high-resolution three-dimensional wind fields. An objective of the experiment was to determine if these models could provide emergency personnel with high-resolution hazardous plume information for quick response operations.Evaluation of the models focused primarily on their effectiveness as a short-term (1-4 h) predictive tool. These studies showed how they could be used to help direct emergency response following a hazardous material release. For purposes of the experiments, the models were used to direct the deployment of mobile sensors intended to intercept and measure tracer clouds.The April test was conducted to evaluate the performance of the MINERVE wind field generation model. It was evaluated during the early morning radiation inversion, inversion dissipation, and afternoon mixed atmosphere. The average deviations in wind speed and wind direction as compared to observations were within 0.4 m s1 and less than 10° for up to 2 h after data time. These deviations increased as time from data time increased. It was also found that deviations were greatest during
Azimi, Mohammad; Jamali, Yousef; Mofrad, Mohammad R K
2011-01-01
Diffusion plays a key role in many biochemical reaction systems seen in nature. Scenarios where diffusion behavior is critical can be seen in the cell and subcellular compartments where molecular crowding limits the interaction between particles. We investigate the application of a computational method for modeling the diffusion of molecules and macromolecules in three-dimensional solutions using agent based modeling. This method allows for realistic modeling of a system of particles with different properties such as size, diffusion coefficients, and affinity as well as the environment properties such as viscosity and geometry. Simulations using these movement probabilities yield behavior that mimics natural diffusion. Using this modeling framework, we simulate the effects of molecular crowding on effective diffusion and have validated the results of our model using Langevin dynamics simulations and note that they are in good agreement with previous experimental data. Furthermore, we investigate an extension of this framework where single discrete cells can contain multiple particles of varying size in an effort to highlight errors that can arise from discretization that lead to the unnatural behavior of particles undergoing diffusion. Subsequently, we explore various algorithms that differ in how they handle the movement of multiple particles per cell and suggest an algorithm that properly accommodates multiple particles of various sizes per cell that can replicate the natural behavior of these particles diffusing. Finally, we use the present modeling framework to investigate the effect of structural geometry on the directionality of diffusion in the cell cytoskeleton with the observation that parallel orientation in the structural geometry of actin filaments of filopodia and the branched structure of lamellipodia can give directionality to diffusion at the filopodia-lamellipodia interface.
a ring-airfoil installed. Three diffusers and two ring-airfoils were tested over a range of inlet Mach Number 0.30< or = M < or = 0.70. The...efficiency variation with respect to Mach Number ranged from 3 to 7% over the range .25< or = M < or = .70. Experimental results are presented for conical diffusers with and without a ring-airfoil mounted. (Author)
Countercurrent Gaseous Diffusion Model of Oxidation Through a Porous Coating
Holcomb, G.R.
1996-07-01
A countercurrent gaseous diffusion model was developed to describe oxidation through porous coatings and scales. The specific system modeled involved graphite oxidized through a porous alumina (Al{sub 2}O{sub 3}) overcoat between 570 C (1,058 F) and 975 C (1,787 F). The model separated the porous Al{sub 2}O{sub 3} coating into two gas diffusion regions separated by a flame front, where oxygen (O{sub 2}) and carbon monoxide (CO) react to form carbon dioxide (CO{sub 2}). In the outer region O{sub 2} and CO{sub 2} counterdiffused. In the inner region, CO{sub 2} and CO counterdiffused. Concentration gradients of each gaseous specie in the pores of the Al{sub 2}O{sub 3} were determined, and the oxidation rate was calculated. The model was verified by oxidation experiments using graphite through various porous Al{sub 2}O{sub 3} overcoats. The Al{sub 2}O{sub 3} overcoats ranged in fractional porosity and in average pore radius from 0.077 {micro}m (3.0 x 10{sup -6} in., Knudsen diffusion) to 10.0 {micro}m (3.9 x 10{sup -4} in., molecular diffusion). Predicted and measured oxidation rates were shown to have the same dependence upon porosity, pore radius, temperature, and oxygen partial pressure (P{sub O{sub 2}}). Use of the model was proposed for other oxidation systems and for chemical vapor infiltration (CVI). This work was part of the U.S. Bureau of Mines corrosion research program.
Extended source model for diffusive coupling.
González-Ochoa, Héctor O; Flores-Moreno, Roberto; Reyes, Luz M; Femat, Ricardo
2016-01-01
Motivated by the prevailing approach to diffusion coupling phenomena which considers point-like diffusing sources, we derived an analogous expression for the concentration rate of change of diffusively coupled extended containers. The proposed equation, together with expressions based on solutions to the diffusion equation, is intended to be applied to the numerical solution of systems exclusively composed of ordinary differential equations, however is able to account for effects due the finite size of the coupled sources.
Mathematical model for radon diffusion in earthen materials
Nielson, K.K.; Rogers, V.C.
1982-10-01
Radon migration in porous, earthen materials is characterized by diffusion in both the air and water components of the system as well as by the interaction of the radon between the air and water. The size distribution and configuration of the pore spaces and their moisture distributions are key parameters in determining the radon diffusion coefficient for the bulk material. A mathematical model is developed and presented for calculating radon diffusion coefficients solely from the moisture content and pore size distribution of a soil, reducing the need for resorting to radon diffusion measurements. The resulting diffusion coefficients increase with the median pore diameter of the soil and decrease with increasing widths of the pore size distribution. The calculated diffusion coefficients are suitable for use in simple homogeneous-medium diffusion expressions for predicting radon transport and compare well with measured diffusion coefficients and with empirical diffusion coefficient correlations.
Extending the diffusion approximation to the boundary using an integrated diffusion model
Chen, Chen; Du, Zhidong; Pan, Liang
2015-06-15
The widely used diffusion approximation is inaccurate to describe the transport behaviors near surfaces and interfaces. To solve such stochastic processes, an integro-differential equation, such as the Boltzmann transport equation (BTE), is typically required. In this work, we show that it is possible to keep the simplicity of the diffusion approximation by introducing a nonlocal source term and a spatially varying diffusion coefficient. We apply the proposed integrated diffusion model (IDM) to a benchmark problem of heat conduction across a thin film to demonstrate its feasibility. We also validate the model when boundary reflections and uniform internal heat generation are present.
Ozone Plume Dispersion Modeled By An Advective-diffusion Model
NASA Astrophysics Data System (ADS)
Lundquist, J. K.; Blumen, W.
A high-ozone episode was observed during the Southern Oxidants Study 1995 field program carried out in and around the Nashville Tennessee USA urban area. Wind data were collected from three boundary-layer wind profilers, which provided hourly- averaged winds from 200 m to 3 km at approximately 100 m intervals. Ozone data were collected from an airborne differential lidar (DIAL) system, which provided ver- tical profiles of ozone concentrations. The wind and ozone data, used in this study, were obtained on the night of 11-12 July 1995 and were contained within 50 km of the Nashville area. Some preliminary analyses of these data indicated that inertial os- cillations, characterized by the Coriolis frequency f, played a role in the transport of ozone from Nashville to outlying regions. An advective-diffusion model is used to es- tablish the transport and diffusive properties of the urban ozone plume throughout the nighttime hours of 11-12 July 1995. Advection is carried out by inertial oscillations superposed on a height dependent basic flow. Eddy diffusion in both the lateral and vertical directions is retained in the model. An analytic model solution for a circular source region is derived, and three different aspects of the transport are examined: 1) advection by the vertical shear flow, 2) advection by inertial oscillations, whose ampli- tudes vary with height, and 3) advection when both 1) and 2) are retained. It is found that both the basic shear flow and the inertial oscillations need to be retained in order to successfully account for the mesoscale transport of the plume that was observed in the present case study. A range of both horizontal and vertical eddy diffusivities are considered to obtain values that are consistent with the diffusive spread of the plume. Other properties of the model solution, and their relative importance in the description of plume dispersion and diffusion, will be presented in the talk.
GVF-based anisotropic diffusion models.
Yu, Hongchuan; Chua, Chin-Seng
2006-06-01
In this paper, the gradient vector flow fields are introduced in image restoration. Within the context of flow fields, the shock filter, mean curvature flow, and Perona-Malik equation are reformulated. Many advantages over the original models can be obtained; these include numerical stability, large capture range, and high-order derivative estimation. In addition, a fairing process is introduced in the anisotropic diffusion, which contains a fourth-order derivative and is reformulated as the intrinsic Laplacian of curvature under the level set framework. By applying this fairing process, the shape boundaries will become more apparent. In order to overcome numerical errors, the intrinsic Laplacian of curvature is computed from the gradient vector flow fields instead of the observed images.
NASA Astrophysics Data System (ADS)
Wang, Shifang; Wu, Tao; Deng, Yongju; Zheng, Qiusha; Zheng, Qian
2016-08-01
Gas diffusion in dry porous media has been a hot topic in several areas of technology for many years. In this paper, a diffusivity model for gas diffusion in dry porous media is developed based on fractal theory and Fick’s law, which incorporates the effects of converging-diverging pores and tortuous characteristics of capillaries as well as Knudsen diffusion. The effective gas diffusivity model is expressed as a function of the fluctuation amplitude of the capillary cross-section size variations, the porosity, the pore area fractal dimension and the tortuosity fractal dimension. The results show that the relative diffusivity decreases with the increase of the fluctuation amplitude and increases with the increase of pore area fractal dimension. To verify the validity of the present model, the relative diffusivity from the proposed fractal model is compared with the existing experimental data as well as two available models of Bruggeman and Shou. Our proposed diffusivity model with pore converging-diverging effect included is in good agreement with reported experimental data.
Radon diffusion through multilayer earthen covers: Models and simulations
NASA Astrophysics Data System (ADS)
Mayer, D. W.; Oster, C. A.; Nelson, R. W.; Gee, G. W.
1981-09-01
A capability to model and analyze the fundamental interactions that influence the diffusion of radon gas through uranium mill tailings and cover systems were investigated. The theoretical basis for modeling radon diffusion and an understanding of the fundamental interactions that influence radon diffusion were developed. The theory was incorporated into three computer models that are used to analyze several tailings and cover configurations. The theoretical basis for modeling radon diffusion and the computer models used to analyze uranium mill tailings and multilayered cover systems are discussed.
Model incorporating deposition, diffusion, and aggregation in submonolayer nanostructures
NASA Astrophysics Data System (ADS)
Jensen, Pablo; Barabási, Albert-László; Larralde, Hernán; Havlin, Shlomo; Stanley, H. E.
1994-07-01
We propose a model for describing diffusion-controlled aggregation of particles that are continually deposited on a surface. The model incorporates deposition, diffusion, and aggregation. We find that the diffusion and aggregation of randomly deposited particles ``builds'' a wide variety of fractal structures, all characterized by a common length scale L1. This length L1 scales as the ratio of the diffusion constant over the particle flux to the power 1/4. We compare our results with several recent experiments on two-dimensional nanostructures formed by diffusion-controlled aggregation on surfaces.
Modeling of hydrogen-air diffusion flame
NASA Technical Reports Server (NTRS)
Isaac, K. M.
1988-01-01
Work performed during the first six months of the project duration for NASA Grant (NAG-1-861) is reported. An analytical and computational study of opposed jet diffusion flame for the purpose of understanding the effects of contaminants in the reactants and thermal diffusion of light species on extinction and reignition of diffusion flames is in progress. The methodologies attempted so far are described.
Modeling of hydrogen-air diffusion flame
NASA Technical Reports Server (NTRS)
Isaac, K. M.
1989-01-01
An analytical and computational study of opposed jet diffusion flame for the purpose of understanding the effects of contaminants in the reactants and thermal diffusion of light species on extinction and reignition of diffusion flames is in progress. The methodologies that have been attempted so far are described. Results using a simple, one-step reaction for the hydrogen-air counterflow diffusion flame are presented. These results show the correct trends in the profiles of chemical species and temperature. The extinction limit can be clearly seen in the plot of temperature vs. Damkohler number.
Improved input parameters for diffusion models of skin absorption.
Hansen, Steffi; Lehr, Claus-Michael; Schaefer, Ulrich F
2013-02-01
To use a diffusion model for predicting skin absorption requires accurate estimates of input parameters on model geometry, affinity and transport characteristics. This review summarizes methods to obtain input parameters for diffusion models of skin absorption focusing on partition and diffusion coefficients. These include experimental methods, extrapolation approaches, and correlations that relate partition and diffusion coefficients to tabulated physico-chemical solute properties. Exhaustive databases on lipid-water and corneocyte protein-water partition coefficients are presented and analyzed to provide improved approximations to estimate lipid-water and corneocyte protein-water partition coefficients. The most commonly used estimates of lipid and corneocyte diffusion coefficients are also reviewed. In order to improve modeling of skin absorption in the future diffusion models should include the vertical stratum corneum heterogeneity, slow equilibration processes, the absorption from complex non-aqueous formulations, and an improved representation of dermal absorption processes. This will require input parameters for which no suitable estimates are yet available.
Hybrid radiative-transfer-diffusion model for optical tomography
NASA Astrophysics Data System (ADS)
Tarvainen, Tanja; Vauhkonen, Marko; Kolehmainen, Ville; Kaipio, Jari P.
2005-02-01
A hybrid radiative-transfer-diffusion model for optical tomography is proposed. The light propagation is modeled with the radiative-transfer equation in the vicinity of the laser sources, and the diffusion approximation is used elsewhere in the domain. The solution of the radiative-transfer equation is used to construct a Dirichlet boundary condition for the diffusion approximation on a fictitious interface within the object. This boundary condition constitutes an approximative distributed source model for the diffusion approximation in the remaining area. The results from the proposed approach are compared with finite-element solutions of the radiative-transfer equation and the diffusion approximation and Monte Carlo simulation. The results show that the method improves the accuracy of the forward model compared with the conventional diffusion model.
Pinte, Jérémy; Joly, Catherine; Dole, Patrice; Feigenbaum, Alexandre
2010-04-01
Published diffusion prediction models for the diffusion of additives in food packaging simplify reality by having a small number of parameters only. Therefore, extrapolation of such models to barrier polymers, larger ranges of temperature and/or additive molecular weight (M(W)) is questionable. Extra data is still required to generalize these existing prediction models. In this paper, diffusion of a specifically designed homologous set of model additives (from 236 to 1120 g mol(-1)) was monitored in two polystyrenes in the rubbery state (from 100 to 180 degrees C): syndiotactic semi-crystalline polystyrene and its amorphous equivalent. Variations in associated diffusion coefficient D and activation energy Ea with migrant M(W) and temperature were surprisingly low. Comparison of experimental behaviour with model predictions was performed. In their actual form, none of the models is capable of describing all experimental data, but there is evidence of convergence of the different approaches.
Some Problems in Using Diffusion Models for New Products
ERIC Educational Resources Information Center
Bernhardt, Irwin; Mackenzie, Kenneth D.
1972-01-01
Analyzes some of the problems involved in using diffusion models to formulate marketing strategies for introducing new products. Six models, which remove some of the theoretical and methodological restrictions inherent in current models of the adoption and diffusion process, are presented. (Author/JH)
Anomalous diffusion of drug release from a slab matrix: fractional diffusion models.
Yin, Chen; Li, Xicheng
2011-10-10
Mathematical models for the release of drug from both non-degradable and degradable slab matrices in which the initial drug loading is greater than the solubility are presented in this paper. Taking the anomalous diffusions in the drug release processes into account, the fractional calculus is introduced to model the related phenomena. To describe different kinds of anomalous diffusions, corresponding fractional diffusion equations are adopted. By employing the integral transform methods, similarity solution method and perturbation method, exact and approximation solutions to the models are obtained. Copyright © 2010 Elsevier B.V. All rights reserved.
Models to assess perfume diffusion from skin.
Schwarzenbach, R; Bertschi, L
2001-04-01
Temperature, fragrance concentration on the skin and power of ventilation have been determined as crucial parameters in fragrance diffusion from skin. A tool has been developed to simulate perfume diffusion from skin over time, allowing headspace analysis and fragrance profile assessments in a highly reproducible way.
MODIS Solar Diffuser Attenuation Screen Modeling Results
NASA Technical Reports Server (NTRS)
Waluschka, Eugene; Xuong, Xiaoxiong; Guenther, Bruce; Barnes, William
2004-01-01
On-orbit calibration of the reflected solar bands on the EOS Moderate Resolution Imaging Spectroradiometer (MODIS) is accomplished by have the instrument view a high reflectance diffuse surface illuminated by the sun. For some of the spectral bands this proves to be much too bright a signal that results in the saturation of detectors designed for measuring low reflectance (ocean) surfaces signals. A mechanical attenuation device in the form of a pin hole screen is used to reduce the signals to calibrate these bands. The sensor response to solar illumination of the SD with and without the attenuation screen in place will be presented. The MODIS detector response to the solar diffuser is smooth when the attenuation screen is absent, but has structures up to a few percent when the attenuation screen is present. This structure corresponds to non-uniform illumination from the solar diffuser. Each pin hole produces a pin-hole image of the sun on the solar diffuser, and there are very many pin hole images of the sun on the solar diffuser for each MODIS detector. Even though there are very many pin-hole images of the sun on the solar diffuser, it is no longer perfectly uniformly illuminated. This non-uniformly illuminated solar diffuser produces intensity variation on the focal planes. The results of a very detailed simulation will be discussed which show how the illumination of the focal plane changes as a result of the attenuation, and the impacts on the calibration will be discussed.
Comparison of two stochastic models of scalar diffusion in turbulent flow
NASA Astrophysics Data System (ADS)
Rodean, H. C.; Lange, R.; Nasstrom, J. S.; Gavrilov, V. P.
1992-07-01
This report describes and compares two Lagrangian stochastic models for turbulent diffusion: (1) the random velocity increment model based on the Langevin equation; and (2) the random displacement model. We apply both models to identical test problems for one-dimensional (vertical) diffusion, using identical parameterizations of turbulence statistics as inputs. We compare the results and discuss the advantages and disadvantages of each model. This work is part of an effort to improve the ADPIC dispersion model which is based on the eddy diffusivity model. It is also part of a cooperative research effort on the transport and dispersion of hazardous materials in the atmosphere by the Lawrence Livermore National Laboratory and the Institute of Experimental Meteorology (USSR).
Modelling Nanoparticle Diffusion into Cancer Tumors
NASA Astrophysics Data System (ADS)
Podduturi, Vishwa Priya; Derosa, Pedro
2011-03-01
Cancer is one of the major, potentially deadly diseases and has been for years. Non-specific delivery of the drug can damage healthy tissue seriously affecting in many cases the patient's living condition. Nanoparticles are being used for a targeted drug delivery thereby reducing the dose. In addition, metallic nanoparticles are being used in thermal treatment of cancer cells where nanoparticles help concentrate heat in the tumor and away from living tissue. We proposed a model that combines random walk with diffusion principles. The particle drift velocity is taken from the Hagen-Poiseuille equation and the velocity profile of the particle at the pores in the capillary wall is obtained using the Coventorware software. Pressure gradient and concentration gradient through the capillary wall are considered. Simulations are performed in Matlab using the Monte Carlo technique. Number of particles leaving the blood vessel through a pore is obtained as a function of blood pressure, the osmotic pressure, temperature, particle concentration, blood vessel radius, and pore size, and the relative effect of each of the parameters is discussed.
A lattice-Boltzman model for noble gas diffusion
NASA Astrophysics Data System (ADS)
Cassata, W. S.; Huber, C.; Renne, P. R.
2010-12-01
Thermochronometry by the 40Ar/39Ar, 4He/3He, and (U-Th)/He techniques provides insights into a array of planetary processes that span immense time and temperature regimes, from rapid and high temperature asteroid impact events to mountain uplift occurring over plate tectonic timescales at near surface temperatures. Thermal modeling has expanded from simple calculations for quantifying diffusion from a single spherical domain or log normal distributions of domains to include crystals having discrete domain distributions, fast diffusion pathways, diffusive anisotropy, complex crystal geometries, alpha damage, and alpha ejection. Despite these advances, our understanding of diffusion within crystals that have complex microstructural features (e.g., exsolution and diffusive sinks) or highly asymmetric concentration gradients remains fragmentary. Improved computational speeds now enable thermochronologists to quantitatively explore many such problems. We have developed a code based on the lattice-Boltzmann (LB) method to model diffusion from a variety of complex 2-D geometries having isotropic, temperature-independent anisotropic, and temperature-dependent anisotropic diffusivity. We utilize the LB diffusion code to examine the effects of non-zero concentration boundaries, fast diffusion pathways, diffusive sinks, exsolution lamellae, asymmetrical concentration distributions, and temperature gradients on calculated diffusion parameters, age data, and inferred thermal histories. Animations and geological examples illustrate the applicability of the code to natural settings.
Radon diffusion through multilayer earthen covers: models and simulations
Mayer, D.W.; Oster, C.A.; Nelson, R.W.; Gee, G.W.
1981-09-01
A capability to model and analyze the fundamental interactions that influence the diffusion of radon gas through uranium mill tailings and cover systems has been investigated. The purpose of this study is to develop the theoretical basis for modeling radon diffusion and to develop an understanding of the fundamental interactions that influence radon diffusion. This study develops the theoretical basis for modeling radon diffusion in one, two and three dimensions. The theory has been incorporated into three computer models that are used to analyze several tailings and cover configurations. This report contains a discussion of the theoretical basis for modeling radon diffusion, a discussion of the computer models used to analyze uranium mill tailings and multilayered cover systems, and presents the results that have been obtained.
A social diffusion model with an application on election simulation.
Lou, Jing-Kai; Wang, Fu-Min; Tsai, Chin-Hua; Hung, San-Chuan; Kung, Perng-Hwa; Lin, Shou-De; Chen, Kuan-Ta; Lei, Chin-Laung
2014-01-01
Issues about opinion diffusion have been studied for decades. It has so far no empirical approach to model the interflow and formation of crowd's opinion in elections due to two reasons. First, unlike the spread of information or flu, individuals have their intrinsic attitudes to election candidates in advance. Second, opinions are generally simply assumed as single values in most diffusion models. However, in this case, an opinion should represent preference toward multiple candidates. Previously done models thus may not intuitively interpret such scenario. This work is to design a diffusion model which is capable of managing the aforementioned scenario. To demonstrate the usefulness of our model, we simulate the diffusion on the network built based on a publicly available bibliography dataset. We compare the proposed model with other well-known models such as independent cascade. It turns out that our model consistently outperforms other models. We additionally investigate electoral issues with our model simulator.
A Social Diffusion Model with an Application on Election Simulation
Wang, Fu-Min; Hung, San-Chuan; Kung, Perng-Hwa; Lin, Shou-De
2014-01-01
Issues about opinion diffusion have been studied for decades. It has so far no empirical approach to model the interflow and formation of crowd's opinion in elections due to two reasons. First, unlike the spread of information or flu, individuals have their intrinsic attitudes to election candidates in advance. Second, opinions are generally simply assumed as single values in most diffusion models. However, in this case, an opinion should represent preference toward multiple candidates. Previously done models thus may not intuitively interpret such scenario. This work is to design a diffusion model which is capable of managing the aforementioned scenario. To demonstrate the usefulness of our model, we simulate the diffusion on the network built based on a publicly available bibliography dataset. We compare the proposed model with other well-known models such as independent cascade. It turns out that our model consistently outperforms other models. We additionally investigate electoral issues with our model simulator. PMID:24995351
Explicit melioration by a neural diffusion model
Simen, Patrick; Cohen, Jonathan D.
2009-01-01
When faced with choices between two sources of reward, animals can rapidly adjust their rates of responding to each so that overall reinforcement increases. Herrnstein's ‘matching law’ provides a simple description of the equilibrium state of this choice allocation process: animals reallocate behavior so that relative rates of responding equal, or match, the relative rates of reinforcement obtained for each response. Herrnstein and colleagues proposed ‘melioration’ as a dynamical process for achieving this equilibrium, but left details of its operation unspecified. Here we examine a way of filling in the details that links the decision-making and operant-conditioning literatures and extends choice-proportion predictions into predictions about inter-response times. Our approach implements melioration in an adaptive version of the drift-diffusion model (DDM), which is widely used in decision-making research to account for response-time distributions. When the drift parameter of the DDM is 0 and its threshold parameters are inversely proportional to reward rates, its choice proportions dynamically track a state of exact matching. A DDM with fixed thresholds and drift that is determined by differences in reward rates can produce similar, but not identical, results. We examine choice probability and inter-response time predictions of these models, separately and in combination, and possible implications for brain organization provided by neural network implementations of them. Results suggest that melioration and matching may derive from synapses that estimate reward rates by a process of leaky integration, and that link together the input and output stages of a two-stage stimulus-response mechanism. PMID:19646968
Parameter Variability and Distributional Assumptions in the Diffusion Model
ERIC Educational Resources Information Center
Ratcliff, Roger
2013-01-01
If the diffusion model (Ratcliff & McKoon, 2008) is to account for the relative speeds of correct responses and errors, it is necessary that the components of processing identified by the model vary across the trials of a task. In standard applications, the rate at which information is accumulated by the diffusion process is assumed to be normally…
A Comparison of Competing Models of the News Diffusion Process.
ERIC Educational Resources Information Center
Mayer, Michael E.; And Others
1990-01-01
Investigates the diffusion of information about the space shuttle Challenger explosion by comparing loglinear models of the diffusion process. Finds that the most parsimonious model with adequate goodness of fit was a linear one in which a person's location affected how the information was heard, which in turn affected when the information was…
A Comparison of Competing Models of the News Diffusion Process.
ERIC Educational Resources Information Center
Mayer, Michael E.; And Others
1990-01-01
Investigates the diffusion of information about the space shuttle Challenger explosion by comparing loglinear models of the diffusion process. Finds that the most parsimonious model with adequate goodness of fit was a linear one in which a person's location affected how the information was heard, which in turn affected when the information was…
Parameter Variability and Distributional Assumptions in the Diffusion Model
ERIC Educational Resources Information Center
Ratcliff, Roger
2013-01-01
If the diffusion model (Ratcliff & McKoon, 2008) is to account for the relative speeds of correct responses and errors, it is necessary that the components of processing identified by the model vary across the trials of a task. In standard applications, the rate at which information is accumulated by the diffusion process is assumed to be normally…
Some Problems in Using Diffusion Models for New Products.
ERIC Educational Resources Information Center
Bernhardt, Irwin; Mackenzie, Kenneth D.
This paper analyzes some of the problems of using diffusion models to formulate marketing strategies for new products. Though future work in this area appears justified, many unresolved problems limit its application. There is no theory for adoption and diffusion processes; such a theory is outlined in this paper. The present models are too…
Asmparts: assembly of biological model parts.
Rodrigo, Guillermo; Carrera, Javier; Jaramillo, Alfonso
2007-12-01
We propose a new computational tool to produce models of biological systems by assembling models from biological parts. Our software not only takes advantage of modularity, but it also enforces standardisation in part characterisation by considering a model of each part. We have used model parts in SBML to design transcriptional networks. Our software is open source, it works in linux and windows platforms, and it could be used to automatically produce models in a server. Our tool not only facilitates model design, but it will also help to promote the establishment of a registry of model parts.
Lévy flight with absorption: A model for diffusing diffusivity with long tails
NASA Astrophysics Data System (ADS)
Jain, Rohit; Sebastian, K. L.
2017-03-01
We consider diffusion of a particle in rearranging environment, so that the diffusivity of the particle is a stochastic function of time. In our previous model of "diffusing diffusivity" [Jain and Sebastian, J. Phys. Chem. B 120, 3988 (2016), 10.1021/acs.jpcb.6b01527], it was shown that the mean square displacement of particle remains Fickian, i.e.,
Varakin, A I; Mazur, V V; Arkhipova, N V; Serianov, Iu V
2009-01-01
Mathematical models of the transfer of charged macromolecules have been constructed on the basis of the classical equations of electromigration diffusion of Helmholtz-Smolukhovskii, Goldman, and Goldman-Hodgkin-Katz. It was shown that ion transfer in placental (mimicking lipid-protein barriers) and muscle barriers occurs by different mechanisms. In placental barriers, the electromigration diffusion occurs along lipid-protein channels formed due to the conformational deformation of phospholipid and protein molecules with the coefficients of diffusion D = (2.6-3.6) x 10(-8) cm2/s. The transfer in muscle barriers is due to the migration across charged interfibrillar channels with the negative diffusion activation energy, which is explained by changes in the structure of muscle fibers and expenditures of thermal energy for the extrusion of Cl- from channel walls with the diffusion coefficient D = (6.0-10.0) x 10(-6) cm2/s.
A memory diffusion model for molecular anisotropic diffusion in siliceous β-zeolite.
Ji, Xiangfei; An, Zhuanzhuan; Yang, Xiaofeng
2016-01-01
A memory diffusion model of molecules on β-zeolite is proposed. In the model, molecular diffusion in β-zeolites is treated as jumping from one adsorption site to its neighbors and the jumping probability is a compound probability which includes that provided by the transitional state theory as well as that derived from the information about which direction the target molecule comes from. The proposed approach reveals that the diffusivities along two crystal axes on β-zeolite are correlated. The model is tested by molecular dynamics simulations on diffusion of benzene and other simple molecules in β-zeolites. The results show that the molecules with larger diameters fit the prediction much better and that the "memory effects" are important in all cases.
Avian Egg Latebra as Brain Tissue Water Diffusion Model
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
An ion diffusion model in semi-permeable clay materials.
Liu, Chongxuan
2007-08-01
Clay materials typically contain negative surface charges that induce electrostatic fields (or diffuse double layers) in electrolytes. During ion diffusion in a porous medium of clay materials, ions dynamically interact with the electrostatic fields associated with individual clay grains by depressing or expanding the electrostatic double layers, which subsequently affects ionic fluxes. Current theory of ion transport in porous media, however, cannot explicitly account for the dynamic interactions. Here we proposed a model by coupling electrodynamics and nonequilibrium thermodynamics (EDNT) to describe ion diffusion in clay materials as a complex function of factors including clay surface charge density, tortuosity, porosity, chemicoosmotic coefficient, and ion self-diffusivity. The model was validated by comparing the calculated and measured apparent ion diffusion coefficients in clay materials as a function of ionic strength. At transitional states, ion diffusive fluxes are dynamically related to the electrostatic fields, which shrink or expand as ion diffusion occurs. At steady states, the electrostatic fields are time-invariant and ion diffusive fluxes conform to flux and concentration gradient relationships; and apparent diffusivity can be approximated by the ion diffusivity in bulk electrolytes corrected by a tortuosity factor and macroscopic concentration discontinuities at the interfaces between clay materials and bulk solutions.
Modeling diffusion and adsorption in compacted bentonite: a critical review
NASA Astrophysics Data System (ADS)
Bourg, Ian C.; Bourg, Alain C. M.; Sposito, Garrison
2003-03-01
The current way of describing diffusive transport through compacted clays is a simple diffusion model coupled to a linear adsorption coefficient ( Kd). To fit the observed results of cation diffusion, this model is usually extended with an adjustable "surface diffusion" coefficient. Description of the negative adsorption of anions calls for a further adjustment through the use of an "effective porosity". The final model thus includes many fitting parameters. This is inconvenient where predictive modeling is called for (e.g., for waste confinement using compacted clay liners). The diffusion/adsorption models in current use have been derived from the common hydrogeological equation of advection/dispersion/adsorption. However, certain simplifications were also borrowed without questioning their applicability to the case of compacted clays. Among these simplifications, the assumption that the volume of the adsorbed phase is negligible should be discussed. We propose a modified diffusion/adsorption model that accounts for the volume of the adsorbed phase. It suggests that diffusion through highly compacted clay takes place through the interlayers (i.e., in the adsorbed phase). Quantitative prediction of the diffusive flux will necessitate more detailed descriptions of surface reactivity and of the mobility of interlayer species.
Dynamic hysteresis modeling including skin effect using diffusion equation model
NASA Astrophysics Data System (ADS)
Hamada, Souad; Louai, Fatima Zohra; Nait-Said, Nasreddine; Benabou, Abdelkader
2016-07-01
An improved dynamic hysteresis model is proposed for the prediction of hysteresis loop of electrical steel up to mean frequencies, taking into account the skin effect. In previous works, the analytical solution of the diffusion equation for low frequency (DELF) was coupled with the inverse static Jiles-Atherton (JA) model in order to represent the hysteresis behavior for a lamination. In the present paper, this approach is improved to ensure the reproducibility of measured hysteresis loops at mean frequency. The results of simulation are compared with the experimental ones. The selected results for frequencies 50 Hz, 100 Hz, 200 Hz and 400 Hz are presented and discussed.
Exact curvilinear diffusion coefficients in the repton model.
Buhot, A
2005-10-01
The Rubinstein-Duke or repton model is one of the simplest lattice model of reptation for the diffusion of a polymer in a gel or a melt. Recently, a slightly modified model with hardcore interactions between the reptons has been introduced. The curvilinear diffusion coefficients of both models are exactly determined for all chain lengths. The case of periodic boundary conditions is also considered.
Modeling boron diffusion gettering of iron in silicon solar cells
NASA Astrophysics Data System (ADS)
Haarahiltunen, A.; Talvitie, H.; Savin, H.; Yli-Koski, M.; Asghar, M. I.; Sinkkonen, J.
2008-01-01
In this paper, a model is presented for boron diffusion gettering of iron in silicon during thermal processing. In the model, both the segregation of iron due to high boron doping concentration and heterogeneous precipitation of iron to the surface of the wafer are taken into account. It is shown, by comparing simulated results with experimental ones, that this model can be used to estimate boron diffusion gettering efficiency of iron under a variety of processing conditions. Finally, the application of the model to phosphorus diffusion gettering is discussed.
The Analytical Limits of Modeling Short Diffusion Timescales
NASA Astrophysics Data System (ADS)
Bradshaw, R. W.; Kent, A. J.
2016-12-01
Chemical and isotopic zoning in minerals is widely used to constrain the timescales of magmatic processes such as magma mixing and crystal residence, etc. via diffusion modeling. Forward modeling of diffusion relies on fitting diffusion profiles to measured compositional gradients. However, an individual measurement is essentially an average composition for a segment of the gradient defined by the spatial resolution of the analysis. Thus there is the potential for the analytical spatial resolution to limit the timescales that can be determined for an element of given diffusivity, particularly where the scale of the gradient approaches that of the measurement. Here we use a probabilistic modeling approach to investigate the effect of analytical spatial resolution on estimated timescales from diffusion modeling. Our method investigates how accurately the age of a synthetic diffusion profile can be obtained by modeling an "unknown" profile derived from discrete sampling of the synthetic compositional gradient at a given spatial resolution. We also include the effects of analytical uncertainty and the position of measurements relative to the diffusion gradient. We apply this method to the spatial resolutions of common microanalytical techniques (LA-ICP-MS, SIMS, EMP, NanoSIMS). Our results confirm that for a given diffusivity, higher spatial resolution gives access to shorter timescales, and that each analytical spacing has a minimum timescale, below which it overestimates the timescale. For example, for Ba diffusion in plagioclase at 750 °C timescales are accurate (within 20%) above 10, 100, 2,600, and 71,000 years at 0.3, 1, 5, and 25 mm spatial resolution, respectively. For Sr diffusion in plagioclase at 750 °C, timescales are accurate above 0.02, 0.2, 4, and 120 years at the same spatial resolutions. Our results highlight the importance of selecting appropriate analytical techniques to estimate accurate diffusion-based timescales.
Anisotropy-resolving models for predicting separation in 3--D asymmetric diffusers
NASA Astrophysics Data System (ADS)
Jeyapaul, Elbert; Durbin, Paul
2011-11-01
All linear eddy-viscosity models are qualitatively incorrect in predicting separation in 3-D asymmetric diffusers. The failure to predict normal stress and shear stress anisotropy at high production-dissipation ratios is the cause. The Explicit algebraic Reynolds stress model (Wallin and Johansson, 2000) predicts the mean flow field in the diffuser accurately, but not the wall pressure and Reynolds stresses. Recalibrating the coefficients of the rapid part of pressure-strain model improves the wall pressure prediction. Including the convective, diffusive, streamline curvature effects on anisotropy has not been beneficial. The model has been tested using a family of diffusers having the same nominal streamwise pressure gradient, LES data is used as a reference. Professor
Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping
2015-12-15
Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber.
A computational kinetic model of diffusion for molecular systems
Teo, Ivan; Schulten, Klaus
2013-01-01
Regulation of biomolecular transport in cells involves intra-protein steps like gating and passage through channels, but these steps are preceded by extra-protein steps, namely, diffusive approach and admittance of solutes. The extra-protein steps develop over a 10–100 nm length scale typically in a highly particular environment, characterized through the protein's geometry, surrounding electrostatic field, and location. In order to account for solute energetics and mobility of solutes in this environment at a relevant resolution, we propose a particle-based kinetic model of diffusion based on a Markov State Model framework. Prerequisite input data consist of diffusion coefficient and potential of mean force maps generated from extensive molecular dynamics simulations of proteins and their environment that sample multi-nanosecond durations. The suggested diffusion model can describe transport processes beyond microsecond duration, relevant for biological function and beyond the realm of molecular dynamics simulation. For this purpose the systems are represented by a discrete set of states specified by the positions, volumes, and surface elements of Voronoi grid cells distributed according to a density function resolving the often intricate relevant diffusion space. Validation tests carried out for generic diffusion spaces show that the model and the associated Brownian motion algorithm are viable over a large range of parameter values such as time step, diffusion coefficient, and grid density. A concrete application of the method is demonstrated for ion diffusion around and through the Eschericia coli mechanosensitive channel of small conductance ecMscS. PMID:24089741
A computational kinetic model of diffusion for molecular systems
NASA Astrophysics Data System (ADS)
Teo, Ivan; Schulten, Klaus
2013-09-01
Regulation of biomolecular transport in cells involves intra-protein steps like gating and passage through channels, but these steps are preceded by extra-protein steps, namely, diffusive approach and admittance of solutes. The extra-protein steps develop over a 10-100 nm length scale typically in a highly particular environment, characterized through the protein's geometry, surrounding electrostatic field, and location. In order to account for solute energetics and mobility of solutes in this environment at a relevant resolution, we propose a particle-based kinetic model of diffusion based on a Markov State Model framework. Prerequisite input data consist of diffusion coefficient and potential of mean force maps generated from extensive molecular dynamics simulations of proteins and their environment that sample multi-nanosecond durations. The suggested diffusion model can describe transport processes beyond microsecond duration, relevant for biological function and beyond the realm of molecular dynamics simulation. For this purpose the systems are represented by a discrete set of states specified by the positions, volumes, and surface elements of Voronoi grid cells distributed according to a density function resolving the often intricate relevant diffusion space. Validation tests carried out for generic diffusion spaces show that the model and the associated Brownian motion algorithm are viable over a large range of parameter values such as time step, diffusion coefficient, and grid density. A concrete application of the method is demonstrated for ion diffusion around and through the Eschericia coli mechanosensitive channel of small conductance ecMscS.
Modelization of surface diffusion of a molecular dimer.
Romero, A H; Lacasta, A M; Sancho, J M
2004-05-01
A simple model for a dimer molecular diffusion on a crystalline surface, as a function of temperature, is presented. The dimer is formed by two particles coupled by a quadratic potential. The dimer diffusion is modeled by an overdamped Langevin equation in the presence of a two-dimensional periodic potential. Numerical simulation's results exhibit some dynamical properties observed, for example, in Si2 diffusion on a silicon [100] surface. They can be used to predict the value of the effective friction parameter. Comparison between our model and experimental measurements is presented.
Comparison of Turbulent Thermal Diffusivity and Scalar Variance Models
NASA Technical Reports Server (NTRS)
Yoder, Dennis A.
2016-01-01
This paper will include a detailed comparison of heat transfer models that rely upon the thermal diffusivity. The goals are to inform users of the development history of the various models and the resulting differences in model formulations, as well as to evaluate the models on a variety of validation cases so that users might better understand which models are more broadly applicable.
Diffusion in different models of active Brownian motion
NASA Astrophysics Data System (ADS)
Lindner, B.; Nicola, E. M.
2008-04-01
Active Brownian particles (ABP) have served as phenomenological models of self-propelled motion in biology. We study the effective diffusion coefficient of two one-dimensional ABP models (simplified depot model and Rayleigh-Helmholtz model) differing in their nonlinear friction functions. Depending on the choice of the friction function the diffusion coefficient does or does not attain a minimum as a function of noise intensity. We furthermore discuss the case of an additional bias breaking the left-right symmetry of the system. We show that this bias induces a drift and that it generally reduces the diffusion coefficient. For a finite range of values of the bias, both models can exhibit a maximum in the diffusion coefficient vs. noise intensity.
What Can the Diffusion Model Tell Us About Prospective Memory?
Horn, Sebastian S.; Bayen, Ute J.; Smith, Rebekah E.
2011-01-01
Cognitive process models, such as Ratcliff’s (1978) diffusion model, are useful tools for examining cost- or interference effects in event-based prospective memory (PM). The diffusion model includes several parameters that provide insight into how and why ongoing-task performance may be affected by a PM task and is ideally suited to analyze performance because both reaction time and accuracy are taken into account. Separate analyses of these measures can easily yield misleading interpretations in cases of speed-accuracy tradeoffs. The diffusion model allows us to measure possible criterion shifts and is thus an important methodological improvement over standard analyses. Performance in an ongoing lexical decision task (Smith, 2003) was analyzed with the diffusion model. The results suggest that criterion shifts play an important role when a PM task is added, but do not fully explain the cost effect on RT. PMID:21443332
Diffuse Interface Methods for Modeling Drug-Eluting Stent Coatings.
Saylor, David M; Forrey, Christopher; Kim, Chang-Soo; Warren, James A
2016-02-01
An overview of diffuse interface models specific to drug-eluting stent coatings is presented. Microscale heterogeneities, both in the coating and use environment, dictate the performance of these coatings. Using diffuse interface methods, these heterogeneities can be explicitly incorporated into the model equations with relative ease. This enables one to predict the complex microstructures that evolve during coating fabrication and subsequent impact on drug release. Examples are provided that illustrate the wide range of phenomena that can be addressed with diffuse interface models including: crystallization, constrained phase separation, hydrolytic degradation, and heterogeneous binding. Challenges associated with the lack of material property data and numerical solution of the model equations are also highlighted. Finally, in light of these potential drawbacks, the potential to utilize diffuse interface models to help guide product and process development is discussed.
Improved knowledge diffusion model based on the collaboration hypernetwork
NASA Astrophysics Data System (ADS)
Wang, Jiang-Pan; Guo, Qiang; Yang, Guang-Yong; Liu, Jian-Guo
2015-06-01
The process for absorbing knowledge becomes an essential element for innovation in firms and in adapting to changes in the competitive environment. In this paper, we present an improved knowledge diffusion hypernetwork (IKDH) model based on the idea that knowledge will spread from the target node to all its neighbors in terms of the hyperedge and knowledge stock. We apply the average knowledge stock V(t) , the variable σ2(t) , and the variance coefficient c(t) to evaluate the performance of knowledge diffusion. By analyzing different knowledge diffusion ways, selection ways of the highly knowledgeable nodes, hypernetwork sizes and hypernetwork structures for the performance of knowledge diffusion, results show that the diffusion speed of IKDH model is 3.64 times faster than that of traditional knowledge diffusion (TKDH) model. Besides, it is three times faster to diffuse knowledge by randomly selecting "expert" nodes than that by selecting large-hyperdegree nodes as "expert" nodes. Furthermore, either the closer network structure or smaller network size results in the faster knowledge diffusion.
Net diffusivity in ocean general circulation models with nonuniform grids
NASA Technical Reports Server (NTRS)
Yin, F. L.; Fung, I. Y.
1991-01-01
The numerical vertical diffusivity K(num), embedded in a numerical ocean general circulation model with nonuniform vertical grid, is estimated. It is shown that in a downwelling region, K(num) is negative for a grid with grid size increasing with depth. When the grid size increment, or the downward vertical velocity, is large, K(num) may exceed the vertical diffusivity specified and may result in a negative effective vertical diffusivity. Therefore care needs to be taken to specify the vertical diffusivity in a numerical model with nonuniform grid, and a lower bound is generally imposed in order to avoid an unphysical negative value. Some possible effects of the negative effective diffusivity are discussed.
Modeling Intragranular Diffusion in Low-Connectivity Granular Media
Ewing, Robert G.; Liu, Chongxuan; Hu, Qinhong
2012-03-20
Diffusive exchange of solutes between bulk water in an aquifer and water in the intragranular pores of the solid phase remains confusing after decades of study. In a previous paper, we reviewed some of the explanations, and suggested that the disparities between observation and theory were largely due to low connectivity of the intragranular pores. Low connectivity indicates that a useful conceptual framework is percolation theory, which guided our analysis. The present study was initiated to improve the finite difference (FD) model presented in the previous paper, and to test that new model rigorously against new random walk (RW) simulations of diffusion in low-connectivity porous spheres starting from non-equilibrium. The new FD model calculates diffusion separately in the infinite cluster and the finite clusters, and closely matches the new, more complex RW results. The percolation-theory based description of the new model is fairly simple, and can readily be incorporated into existing FD models. The simulations showed that the combination of low intragranular pore connectivity, and out-diffusion initiated at diffusive non-equilibrium, can produce diffusive behavior that appears as if the solute had undergone slow sorption, even in the absence of any sorption process. This mechanism may help explain some hitherto confusing aspects of intragranular diffusion.
Wang, Hsin; Porter, Wallace D; Bottner, Harold; Konig, Jan; Chen, Lidong; Bai, Shengqiang; Tritt, Terry M.; Mayolett, Alex; Senawiratne, Jayantha; Smith, Charlene; Harris, Fred; Gilbert, Partricia; Sharp, J; Lo, Jason; Keinke, Holger; Kiss, Laszlo I.
2013-01-01
For bulk thermoelectrics, figure-of-merit, ZT, still needs to improve from the current value of 1.0 - 1.5 to above 2 to be competitive to other alternative technologies. In recent years, the most significant improvements in ZT were mainly due to successful reduction of thermal conductivity. However, thermal conductivity cannot be measured directly at high temperatures. The combined measurements of thermal diffusivity and specific heat and density are required. It has been shown that thermal conductivity is the property with the greatest uncertainty and has a direct influence on the accuracy of the figure of merit. The International Energy Agency (IEA) group under the implementing agreement for Advanced Materials for Transportation (AMT) has conducted two international round-robins since 2009. This paper is Part II of the international round-robin testing of transport properties of bulk bismuth telluride. The main focuses in Part II are on thermal diffusivity, specific heat and thermal conductivity.
Dighe, Manjiri; Barr, Richard; Bojunga, Jörg; Cantisani, Vito; Chammas, Maria Cristina; Cosgrove, David; Cui, Xin Wu; Dong, Yi; Fenner, Franziska; Radzina, Maija; Vinayak, Sudhir; Xu, Jun Mei; Dietrich, Christoph F
2017-01-31
Accurate differentiation of focal thyroid nodules (FTL) and thyroid abnormalities is pivotal for proper diagnostic and therapeutic work-up. In these two part articles, the role of ultrasound techniques in the characterization of FTL and evaluation of diffuse thyroid diseases is described to expand on the recently published World Federation in Ultrasound and Medicine (WFUMB) thyroid elastography guidelines and review how this guideline fits into a complete thyroid ultrasound exam.
Diffusion coefficient and shear viscosity of rigid water models.
Tazi, Sami; Boţan, Alexandru; Salanne, Mathieu; Marry, Virginie; Turq, Pierre; Rotenberg, Benjamin
2012-07-18
We report the diffusion coefficient and viscosity of popular rigid water models: two non-polarizable ones (SPC/E with three sites, and TIP4P/2005 with four sites) and a polarizable one (Dang-Chang, four sites). We exploit the dependence of the diffusion coefficient on the system size (Yeh and Hummer 2004 J. Phys. Chem. B 108 15873) to obtain the size-independent value. This also provides an estimate of the viscosity of all water models, which we compare to the Green-Kubo result. In all cases, a good agreement is found. The TIP4P/2005 model is in better agreement with the experimental data for both diffusion and viscosity. The SPC/E and Dang-Chang models overestimate the diffusion coefficient and underestimate the viscosity.
A universal model of restricted diffusion for fluorescence correlation spectroscopy.
Piskorz, Tomasz K; Ochab-Marcinek, Anna
2014-05-08
Fluorescence correlation spectroscopy (FCS) is frequently used to study the processes of restricted diffusion. The most important quantity to determine is the size of the structures that hinder the Brownian motion of the molecules. We study three qualitatively different models of restricted diffusion, widely applied in biophysics and material science: Diffusion constrained by elastic force (i), walking confined diffusion (ii), and hop diffusion (iii). They cover the diversity of statistical behaviors, from purely Gaussian (i) to sharply non-Gaussian on intermediate time scales (ii) and, additionally, discrete (iii). We test whether one can use the Gaussian approximation of the FCS autocorrelation function to interpret the non-Gaussian data. We show that (i-iii) have approximately the same mean square displacements. Using simulations, we show that the FCS data suspected of restricted diffusion can be reliably interpreted using one archetypal model (i). Even if the underlying mechanism of the restriction is different or unknown, the accuracy of fitting the confinement size is excellent, and diffusion coefficients are also estimated with a good accuracy. This study gives a physical insight into the statistical behavior of different types of restricted diffusion and into the ability of fluorescence correlation spectroscopy to distinguish between them.
Postural control model interpretation of stabilogram diffusion analysis
NASA Technical Reports Server (NTRS)
Peterka, R. J.
2000-01-01
Collins and De Luca [Collins JJ. De Luca CJ (1993) Exp Brain Res 95: 308-318] introduced a new method known as stabilogram diffusion analysis that provides a quantitative statistical measure of the apparently random variations of center-of-pressure (COP) trajectories recorded during quiet upright stance in humans. This analysis generates a stabilogram diffusion function (SDF) that summarizes the mean square COP displacement as a function of the time interval between COP comparisons. SDFs have a characteristic two-part form that suggests the presence of two different control regimes: a short-term open-loop control behavior and a longer-term closed-loop behavior. This paper demonstrates that a very simple closed-loop control model of upright stance can generate realistic SDFs. The model consists of an inverted pendulum body with torque applied at the ankle joint. This torque includes a random disturbance torque and a control torque. The control torque is a function of the deviation (error signal) between the desired upright body position and the actual body position, and is generated in proportion to the error signal, the derivative of the error signal, and the integral of the error signal [i.e. a proportional, integral and derivative (PID) neural controller]. The control torque is applied with a time delay representing conduction, processing, and muscle activation delays. Variations in the PID parameters and the time delay generate variations in SDFs that mimic real experimental SDFs. This model analysis allows one to interpret experimentally observed changes in SDFs in terms of variations in neural controller and time delay parameters rather than in terms of open-loop versus closed-loop behavior.
BF{sub 3} PIII modeling: Implantation, amorphisation and diffusion
Essa, Z.; Cristiano, F.; Spiegel, Y.; Boulenc, P.; Qiu, Y.; Quillec, M.; Taleb, N.; Burenkov, A.; Hackenberg, M.; Bedel-Pereira, E.; Mortet, V.; Torregrosa, Frank; Tavernier, C.
2012-11-06
In the race for highly doped ultra-shallow junctions (USJs) in complementary metal oxide semi-conductor (CMOS) technologies, plasma immersion ion implantation (PIII) is a promising alternative to traditional beamline implantation. Currently, no commercial technology computer aided design (TCAD) process simulator allows modeling the complete USJ fabrication process by PIII, including as-implanted dopant profiles, damage formation, dopant diffusion and activation. In this work, a full simulation of a p-type BF{sub 3} PIII USJ has been carried out. In order to investigate the various physical phenomena mentioned above, process conditions included a high energy/high dose case (10 kV, 5 Multiplication-Sign 10{sup 15} cm{sup -2}), specifically designed to increase damage formation, as well as more technology relevant implant conditions (0.5 kV) for comparison. All implanted samples were annealed at different temperatures and times. As implanted profiles for both boron and fluorine in BF{sub 3} implants were modeled and compared to Secondary Ion Mass Spectrometry (SIMS) measurements. Amorphous/crystalline (a/c) interface depths were measured by transmission electron microscopy (TEM) and successfully simulated. Diffused profiles simulations agreed with SIMS data at low thermal budgets. A boron peak behind the a/c interface was observed in all annealed SIMS profiles for the 10 kV case, indicating boron trapping from EOR defects in this region even after high thermal budgets. TEM measurements on the annealed samples showed an end of range (EOR) defects survival behind the a/c interface, including large dislocation loops (DLs) lying on (001) plane parallel to the surface. In the last part of this work, activation simulations were compared to Hall measurements and confirmed the need to develop a (001) large BICs model.
Postural control model interpretation of stabilogram diffusion analysis
NASA Technical Reports Server (NTRS)
Peterka, R. J.
2000-01-01
Collins and De Luca [Collins JJ. De Luca CJ (1993) Exp Brain Res 95: 308-318] introduced a new method known as stabilogram diffusion analysis that provides a quantitative statistical measure of the apparently random variations of center-of-pressure (COP) trajectories recorded during quiet upright stance in humans. This analysis generates a stabilogram diffusion function (SDF) that summarizes the mean square COP displacement as a function of the time interval between COP comparisons. SDFs have a characteristic two-part form that suggests the presence of two different control regimes: a short-term open-loop control behavior and a longer-term closed-loop behavior. This paper demonstrates that a very simple closed-loop control model of upright stance can generate realistic SDFs. The model consists of an inverted pendulum body with torque applied at the ankle joint. This torque includes a random disturbance torque and a control torque. The control torque is a function of the deviation (error signal) between the desired upright body position and the actual body position, and is generated in proportion to the error signal, the derivative of the error signal, and the integral of the error signal [i.e. a proportional, integral and derivative (PID) neural controller]. The control torque is applied with a time delay representing conduction, processing, and muscle activation delays. Variations in the PID parameters and the time delay generate variations in SDFs that mimic real experimental SDFs. This model analysis allows one to interpret experimentally observed changes in SDFs in terms of variations in neural controller and time delay parameters rather than in terms of open-loop versus closed-loop behavior.
Modeling diffuse reflectance measurements of light scattered by layered tissues
NASA Astrophysics Data System (ADS)
Rohde, Shelley B.
In this dissertation, we first present a model for the diffuse reflectance due to a continuous beam incident normally on a half space composed of a uniform scattering and absorbing medium. This model is the result of an asymptotic analysis of the radiative transport equation for strong scattering, weak absorption and a defined beam width. Through comparison with the diffuse reflectance computed using the numerical solution of the radiative transport equation, we show that this diffuse reflectance model gives results that are accurate for small source-detector separation distances. We then present an explicit model for the diffuse reflectance due to a collimated beam of light incident normally on layered tissues. This model is derived using the corrected diffusion approximation applied to a layered medium, and it takes the form of a convolution with an explicit kernel and the incident beam profile. This model corrects the standard diffusion approximation over all source-detector separation distances provided the beam is sufficiently wide compared to the scattering mean-free path. We validate this model through comparison with Monte Carlo simulations. Then we use this model to estimate the optical properties of an epithelial layer from Monte Carlo simulation data. Using measurements at small source-detector separations and this model, we are able to estimate the absorption coefficient, scattering coefficient and anisotropy factor of epithelial tissues efficiently with reasonable accuracy. Finally, we present an extension of the corrected diffusion approximation for an obliquely incident beam. This model is formed through a Fourier Series representation in the azimuthal angle which allows us to exhibit the break in axisymmetry when combined with the previous analysis. We validate this model with Monte Carlo simulations. This model can also be written in the form of a convolution of an explicit kernel with the incident beam profile. Additionally, it can be used to
Modelling oxygen self-diffusion in UO2 under pressure
Cooper, Michael William D.; Grimes, R. W.; Fitzpatrick, M. E.; ...
2015-10-22
Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data are used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0–10 GPa) and temperatures (300–1900 K). Furthermore, the significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.
The Defect Diffusion Model of Glass-Forming Liquids
NASA Astrophysics Data System (ADS)
Fontanella, John; Bendler, John; Wintersgill, Mary; Shlesinger, Michael
2013-03-01
The defect diffusion model (DDM) provides an explanation of many properties of glass-forming liquids. For example, it has been used to interpret dielectric relaxation (alpha and beta relaxations and the boson peak), viscosity, ionic conductivity, (including the effects of temperature and pressure) positron annihilation lifetime spectroscopy data, the physical basis of fragility, scaling, the ratio of the apparent isochoric activation energy to the isobaric activation enthalpy and its relationship to monomer volume, and correlation lengths. In the model, the glass transition, Tg, occurs because of rigidity percolation. In addition the transition at TB (or TLL) is associated with mobility percolation. In the simplest form of the DDM, a supercooled liquid contains mobile single defects (MSDs) and immobile, clustered single defects (ICSDs). Consequently, dynamic heterogeneity is a natural feature of the model. If the glass transition did not intervene, all MSDs would disappear at a critical temperature Tc. In the present talk, the model will be used to comment on the change of heat capacity, thermal expansion coefficient and compressibility at Tg. Work supported in part by the Office of Naval Research
Evaluating the accuracy of diffusion MRI models in white matter.
Rokem, Ariel; Yeatman, Jason D; Pestilli, Franco; Kay, Kendrick N; Mezer, Aviv; van der Walt, Stefan; Wandell, Brian A
2015-01-01
Models of diffusion MRI within a voxel are useful for making inferences about the properties of the tissue and inferring fiber orientation distribution used by tractography algorithms. A useful model must fit the data accurately. However, evaluations of model-accuracy of commonly used models have not been published before. Here, we evaluate model-accuracy of the two main classes of diffusion MRI models. The diffusion tensor model (DTM) summarizes diffusion as a 3-dimensional Gaussian distribution. Sparse fascicle models (SFM) summarize the signal as a sum of signals originating from a collection of fascicles oriented in different directions. We use cross-validation to assess model-accuracy at different gradient amplitudes (b-values) throughout the white matter. Specifically, we fit each model to all the white matter voxels in one data set and then use the model to predict a second, independent data set. This is the first evaluation of model-accuracy of these models. In most of the white matter the DTM predicts the data more accurately than test-retest reliability; SFM model-accuracy is higher than test-retest reliability and also higher than the DTM model-accuracy, particularly for measurements with (a) a b-value above 1000 in locations containing fiber crossings, and (b) in the regions of the brain surrounding the optic radiations. The SFM also has better parameter-validity: it more accurately estimates the fiber orientation distribution function (fODF) in each voxel, which is useful for fiber tracking.
MODEL OF THE TOKAMAK EDGE DENSITY PEDESTAL INCLUDING DIFFUSIVE NEUTRALS
BURRELL.KH
2003-01-01
OAK-B135 Several previous analytic models of the tokamak edge density pedestal have been based on diffusive transport of plasma plus free-streaming of neutrals. This latter neutral model includes only the effect of ionization and neglects charge exchange. The present work models the edge density pedestal using diffusive transport for both the plasma and the neutrals. In contrast to the free-streaming model, a diffusion model for the neutrals includes the effect of both charge exchange and ionization and is valid when charge exchange is the dominant interaction. Surprisingly, the functional forms for the electron and neutral density profiles from the present calculation are identical to the results of the previous analytic models. There are some differences in the detailed definition of various parameters in the solution. For experimentally relevant cases where ionization and charge exchange rate are comparable, both models predict approximately the same width for the edge density pedestal.
Model of boron diffusion from gas phase in silicon carbide
Aleksandrov, O. V.; Mokhov, E. N.
2011-06-15
Boron diffusion from the gas phase in silicon carbide is described on the basis of a two-component model. 'Shallow' boron, i.e., boron at silicon sites, is a slow component with a high surface concentration. Its diffusivity is proportional to the concentration of positively charged intrinsic point defects, which are presumably interstitial silicon atoms. 'Deep' boron, i.e., impurity-defect pairs of boron-carbon vacancy, is a fast component with lower surface concentration. The ratio between the surface concentrations of the components depends on the pressure of silicon or carbon vapors in the gas phase. The diffusion and interaction of components are described by the set of diffusion-reaction equations. The diffusion retardation observed on the concentration-profile tail is related to the capture of impurity-defect pairs and excess vacancies by traps of background impurities and defects.
Statistical assessment of non-Gaussian diffusion models.
Kristoffersen, Anders
2011-12-01
In human brain diffusion measurements, there are deviations from monoexponential signal decay at high values of the diffusion-weighting factor b. This is known as non-Gaussian diffusion and can provide novel kinds of image contrast. We evaluated quantitatively the goodness-of-fit of five popular diffusion models. Because of the Rician signal distribution and physiological noise, the measurement errors are unknown. This precludes standard χ(2) testing. By repeating the measurement 25 times, the errors were estimated. Hypothesis testing based on the residual after least squares curve fitting was then carried out. Systematic errors originating from the Rician signal bias were eliminated in the fitting procedure. We performed diffusion measurements on four healthy volunteers with b-values ranging from 0 to 5000 s/mm(2) . The data were analyzed voxelwise. The null hypothesis of a given model being adequate was rejected, if the residual after fitting exceeded a limit that corresponds to a significance level of 1%. The fraction of rejected voxels depended strongly on the number of free model parameters. The rejected fraction was: monoexponential model with two parameters, 94%; statistical model with three parameters, 29%; stretched exponential model with three parameters, 35%; cumulant model with three parameters, 48%; cumulant model with four parameters, 11%; biexponential model with four parameters, 2.9%. Copyright © 2011 Wiley Periodicals, Inc.
Modelling Urban diffuse pollution in groundwater
NASA Astrophysics Data System (ADS)
Jato, Musa; Smith, Martin; Cundy, Andrew
2017-04-01
Diffuse urban pollution of surface and ground waters is a growing concern in many cities and towns. Traffic-derived pollutants such as salts, heavy metals and polycyclic aromatic hydrocarbons (PAHs) may wash off road surfaces in soluble or particulate forms which later drain through soils and drainage systems into surface waters and groundwater. In Brighton, about 90% of drinking water supply comes from groundwater (derived from the Brighton Chalk block). In common with many groundwater sources the Chalk aquifer has been relatively extensively monitored and assessed for diffuse rural contaminants such as nitrate, but knowledge on the extent of contamination from road run-off is currently lacking. This project examines the transfer of traffic-derived contaminants from the road surface to the Chalk aquifer, via urban drainage systems. A transect of five boreholes have been sampled on a monthly basis and groundwater samples analysed to examine the concentrations of key, mainly road run-off derived, hydrocarbon and heavy metal contaminants in groundwater across the Brighton area. Trace concentrations of heavy metals and phenols have been observed in groundwater. Electrical conductivity changes in groundwater have also been used to assess local changes in ionic strength which may be associated with road-derived contaminants. This has been supplemented by systematic water and sediment sampling from urban gully pots, with further sampling planned from drainage and settlement ponds adjacent to major roads, to examine initial road to drainage system transport of major contaminants.
Theoretical model of blood flow measurement by diffuse correlation spectroscopy
NASA Astrophysics Data System (ADS)
Sakadžić, Sava; Boas, David A.; Carp, Stefan
2017-02-01
Diffuse correlation spectroscopy (DCS) is a noninvasive method to quantify tissue perfusion from measurements of the intensity temporal autocorrelation function of diffusely scattered light. However, DCS autocorrelation function measurements in tissue better match theoretical predictions based on the diffusive motion of the scatterers than those based on a model where the advective nature of blood flow dominates the stochastic properties of the scattered light. We have recently shown using Monte Carlo (MC) simulations and assuming a simplistic vascular geometry and laminar flow profile that the diffusive nature of the DCS autocorrelation function decay is likely a result of the shear-induced diffusion of the red blood cells. Here, we provide theoretical derivations supporting and generalizing the previous MC results. Based on the theory of diffusing-wave spectroscopy, we derive an expression for the autocorrelation function along the photon path through a vessel that takes into account both diffusive and advective scatterer motion, and we provide the solution for the DCS autocorrelation function in a semi-infinite geometry. We also derive the correlation diffusion and correlation transfer equation, which can be applied for an arbitrary sample geometry. Further, we propose a method to take into account realistic vascular morphology and flow profile.
NASA Astrophysics Data System (ADS)
Guillory, J. U.; Terry, R. E.
1984-07-01
This report describes work done under DNA Contract 001-79-C-0189 from February 1982 to June 1983, and some more recent work. Part 1 includes treatments of a simple zero-D implosion code, analytic but very approximate scaling laws for radiation, and a discussion of preliminary work on nonlinear field penetration of plasma. Part 2 contains a discussion of electrodiffusive 1D modeling of annular plasma implosions. The thermoelectrical field, its role in field penetrations, the nonlocal constraints required in field diffusion (and some arising from field diffusion), flux limits and the acceleration process for annular plasmas are discussed.
Extreme Events and Their Predictability in a Branching Diffusion Model
NASA Astrophysics Data System (ADS)
Gabrielov, A.; Zaliapin, I.; Keilis-Borok, V.
2009-05-01
Studies in prediction of extreme events, based on real observations and numerical modeling of complex systems, suggest universal patterns of system's behavior signaling approach of an extreme event. These patterns include deviation from self-similarity, increase in background activity, clustering, and long-range correlation. In the absence of a closed theory describing critical transitions in complex systems, and with insufficient and noisy observations, numerical parameters of the patterns have to be data-fitted, creating the risk of self-deception ("With four exponents I can fit the elephant" - J. von Neumann). Here, we introduce a model which provides analytical definition of at least two parameters, intensity and deviation from self-similarity. That drastically reduces non-uniqueness of parametrization, suggesting a simple universal mechanism of premonitory patterns and natural framework for their analytical study. Major conceptual parts of the model - direct cascading or fragmentation, spatial dynamics, and external driving - are combined in a classical age-dependent multi-type branching diffusion process with immigration. A complete analytic description of the size- and space-dependent distributions of particles and their correlations is derived using the generating function approach.
NASA Astrophysics Data System (ADS)
Mockler, Eva; Reaney, Simeon; Mellander, Per-Erik; Wade, Andrew; Collins, Adrian; Arheimer, Berit; Bruen, Michael
2017-04-01
The agricultural sector is the most common suspected source of nutrient pollution in Irish rivers. However, it is also often the most difficult source to characterise due to its predominantly diffuse nature. Particulate phosphorus in surface water and dissolved phosphorus in groundwater are of particular concern in Irish water bodies. Hence the further development of models and indices to assess diffuse sources of contaminants are required for use by the Irish Environmental Protection Agency (EPA) to provide support for river basin planning. Understanding connectivity in the landscape is a vital component of characterising the source-pathway-receptor relationships for water-borne contaminants, and hence is a priority in this research. The DIFFUSE Project will focus on connectivity modelling and incorporation of connectivity into sediment, nutrient and pesticide risk mapping. The Irish approach to understanding and managing natural water bodies has developed substantially in recent years assisted by outputs from multiple research projects, including modelling and analysis tools developed during the Pathways and CatchmentTools projects. These include the Pollution Impact Potential (PIP) maps, which are an example of research output that is used by the EPA to support catchment management. The PIP maps integrate an understanding of the pollution pressures and mobilisation pathways and, using the source-pathways-receptor model, provide a scientific basis for evaluation of mitigation measures. These maps indicate the potential risk posed by nitrate and phosphate from diffuse agricultural sources to surface and groundwater receptors and delineate critical source areas (CSAs) as a means of facilitating the targeting of mitigation measures. Building on this previous research, the DIFFUSE Project will develop revised and new catchment managements tools focused on connectivity, sediment, phosphorus and pesticides. The DIFFUSE project will strive to identify the state
2012-01-01
Background Body weight is at least partly controlled by the choices made by a human in response to external stimuli. Changes in body weight are mainly caused by energy intake. By analyzing the mechanisms involved in food intake, we considered that molecular diffusion plays an important role in body weight changes. We propose a model based on Fick's second law of diffusion to simulate the relationship between energy intake and body weight. Results This model was applied to food intake and body weight data recorded in humans; the model showed a good fit to the experimental data. This model was also effective in predicting future body weight. Conclusions In conclusion, this model based on molecular diffusion provides a new insight into the body weight mechanisms. Reviewers This article was reviewed by Dr. Cabral Balreira (nominated by Dr. Peter Olofsson), Prof. Yang Kuang and Dr. Chao Chen. PMID:22742862
Innovation Diffusion Model in Higher Education: Case Study of E-Learning Diffusion
ERIC Educational Resources Information Center
Buc, Sanjana; Divjak, Blaženka
2015-01-01
The diffusion of innovation (DOI) is critical for any organization and especially nowadays for higher education institutions (HEIs) in the light of vast pressure of emerging educational technologies as well as of the demand of economy and society. DOI takes into account the initial and the implementation phase. The conceptual model of DOI in…
Modeling cation diffusion in compacted water-saturated sodium bentonite at low ionic strength.
Bourg, Ian C; Sposito, Garrison; Bourg, Alain C M
2007-12-01
Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the "macropore/nanopore" model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the "surface diffusion" model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm(-3) (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.3 kg dm(-3).
Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength
Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.
2007-08-28
Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.
Reaction-diffusion-branching models of stock price fluctuations
NASA Astrophysics Data System (ADS)
Tang, Lei-Han; Tian, Guang-Shan
Several models of stock trading (Bak et al., Physica A 246 (1997) 430.) are analyzed in analogy with one-dimensional, two-species reaction-diffusion-branching processes. Using heuristic and scaling arguments, we show that the short-time market price variation is subdiffusive with a Hurst exponent H=1/4. Biased diffusion towards the market price and blind-eyed copying lead to crossovers to the empirically observed random-walk behavior ( H=1/2) at long times. The calculated crossover forms and diffusion constants are shown to agree well with simulation data.
Structure and Mixing of a Turbulent Meandering Plume Part 2: Turbulent Mixing and Eddy-Diffusivity
NASA Astrophysics Data System (ADS)
Webster, D. R.; Young, D. L.; Larsson, A. I.
2016-11-01
Turbulent mixing in a meandering non-buoyant chemical plume is far less understood than in a straight plume - partially due to the difficulty separating the plume meander fluctuations from the turbulent fluctuations. In this study we present high resolution measurements of the covariance of the turbulent fluctuations of velocity and concentration in a phase-locked meandering plume, acquired by combining simultaneous PTV velocity and LIF concentration measurements. The effectiveness of the eddy-diffusivity model for predicting the turbulent flux is assessed. Analysis of the data reveals that the spatial distribution of the turbulent flux is governed by the large-scale alternating-sign vortices that induce the plume meander. Further, regions of high turbulent flux are co-located with areas of large phase-averaged concentration gradients. As a result, the eddy-diffusivity framework models the turbulent flux effectively. As expected from turbulent mixing theory, the eddy-diffusivity coefficient plateaus at a constant value once the plume width reaches the size of the largest eddies (i.e., the scale of the water depth in this open channel flow). However, when the plume width is less than the water depth the eddy-diffusivity coefficient scales with the plume width to the 3/4 power. This differs from the theoretical 4/3 scaling that results from the assumption of an inertial subrange. The extent of the inertial subrange is extremely limited in the current moderate-Re open channel flow.
SOLVING THE TWO-DIMENSIONAL DIFFUSION FLOW MODEL.
Hromadka, T.V.; Lai, Chintu
1985-01-01
A simplification of the two-dimensional (2-D) continuity and momentum equations is the diffusion equation. To investigate its capability, the numerical model using the diffusion approach is applied to a hypothetical failure problem of a regional water reservoir. The model is based on an explicit, integrated finite-difference scheme, and the floodplain is simulated by a popular home computer which supports 64K FORTRAN. Though simple, the 2-D model can simulate some interesting flooding effects that a 1-D full dynamic model cannot.
Update on Advection-Diffusion Purge Flow Model
NASA Technical Reports Server (NTRS)
Brieda, Lubos
2015-01-01
Gaseous purge is commonly used in sensitive spacecraft optical or electronic instruments to prevent infiltration of contaminants and/or water vapor. Typically, purge is sized using simplistic zero-dimensional models that do not take into account instrument geometry, surface effects, and the dependence of diffusive flux on the concentration gradient. For this reason, an axisymmetric computational fluid dynamics (CFD) simulation was recently developed to model contaminant infiltration and removal by purge. The solver uses a combined Navier-Stokes and Advection-Diffusion approach. In this talk, we report on updates in the model, namely inclusion of a particulate transport model.
Evolution of a simple inhomogeneous anisotropic cosmological model with diffusion
Shogin, Dmitry; Hervik, Sigbjørn E-mail: sigbjorn.hervik@uis.no
2013-10-01
We investigate a simple inhomogeneous anisotropic cosmology (plane symmetric G{sub 2} model) filled with a tilted perfect fluid undergoing velocity diffusion on a scalar field. Considered are two types of fluid: dust and radiation. We solve the system of Einstein field equations and diffusion equations numerically and demonstrate how the universe evolves towards its future asymptotic state. Also, typical time scales of characteristic processes are determined. The obtained results for dust- and radiation-filled cosmologies are compared to each other and to those in the diffusionless case, giving a hint on which effects can be the result of including diffusion in more complicated models. For example, diffusion causes the accelerated expansion stage to arrive at later times.
Evolution Nonlinear Diffusion-Convection PDE Models for Spectrogram Enhancement
NASA Astrophysics Data System (ADS)
Dugnol, B.; Fernández, C.; Galiano, G.; Velasco, J.
2008-09-01
In previous works we studied the application of PDE-based image processing techniques applied to the spectrogram of audio signals in order to improve the readability of the signal. In particular we considered the implementation of the nonlinear diffusive model proposed by Álvarez, Lions and Morel [1](ALM) combined with a convective term inspired by the differential reassignment proposed by Chassandre-Mottin, Daubechies, Auger and Flandrin [2]-[3]. In this work we consider the possibility of replacing the diffusive model of ALM by diffusive terms in divergence form. In particular we implement finite element approximations of nonlinear diffusive terms studied by Chen, Levine, Rao [4] and Antontsev, Shmarev [5]-[8] with a convective term.
When mechanism matters: Bayesian forecasting using models of ecological diffusion
Hefley, Trevor J.; Hooten, Mevin B.; Russell, Robin E.; Walsh, Daniel P.; Powell, James A.
2017-01-01
Ecological diffusion is a theory that can be used to understand and forecast spatio-temporal processes such as dispersal, invasion, and the spread of disease. Hierarchical Bayesian modelling provides a framework to make statistical inference and probabilistic forecasts, using mechanistic ecological models. To illustrate, we show how hierarchical Bayesian models of ecological diffusion can be implemented for large data sets that are distributed densely across space and time. The hierarchical Bayesian approach is used to understand and forecast the growth and geographic spread in the prevalence of chronic wasting disease in white-tailed deer (Odocoileus virginianus). We compare statistical inference and forecasts from our hierarchical Bayesian model to phenomenological regression-based methods that are commonly used to analyse spatial occurrence data. The mechanistic statistical model based on ecological diffusion led to important ecological insights, obviated a commonly ignored type of collinearity, and was the most accurate method for forecasting.
Gas-phase diffusion in porous media: Comparison of models
Webb, S.W.
1998-09-01
Two models are commonly used to analyze gas-phase diffusion in porous media in the presence of advection, the Advective-Dispersive Model (ADM) and the Dusty-gas Model (DGM). The ADM, which is used in TOUGH2, is based on a simple linear addition of advection calculated by Darcy`s law and ordinary diffusion using Fick`s law with a porosity-tortuosity-gas saturation multiplier to account for the porous medium. Another approach for gas-phase transport in porous media is the Dusty-Gas Model. This model applies the kinetic theory of gases to the gaseous components and the porous media (or dust) to combine transport due to diffusion and advection that includes porous medium effects. The two approaches are compared in this paper.
Comparing fixed and collapsing boundary versions of the diffusion model
Voskuilen, Chelsea; Ratcliff, Roger; Smith, Philip L.
2016-01-01
Optimality studies and studies of decision-making in monkeys have been used to support a model in which the decision boundaries used to evaluate evidence collapse over time. This article investigates whether a diffusion model with collapsing boundaries provides a better account of human data than a model with fixed boundaries. We compared the models using data from four new numerosity discrimination experiments and two previously published motion discrimination experiments. When model selection was based on BIC values, the fixed boundary model was preferred over the collapsing boundary model for all of the experiments. When model selection was carried out using a parametric bootstrap cross-fitting method (PBCM), which takes into account the flexibility of the alternative models and the ability of one model to account for data from another model, data from 5 of 6 experiments favored either fixed boundaries or boundaries with only negligible collapse. We found that the collapsing boundary model produces response times distributions with the same shape as those produced by the fixed boundary model and that its parameters were not well-identified and were difficult to recover from data. Furthermore, the estimated boundaries of the best-fitting collapsing boundary model were relatively flat and very similar to those of the fixed-boundary model. Overall, a diffusion model with decision boundaries that converge over time does not provide an improvement over the standard diffusion model for our tasks with human data. PMID:28579640
Mesoscale modelling of crack-induced diffusivity in concrete
NASA Astrophysics Data System (ADS)
Nilenius, Filip; Larsson, Fredrik; Lundgren, Karin; Runesson, Kenneth
2015-02-01
Cracks have large impact on the diffusivity of concrete since they provide low-resistance pathways for moisture and chloride ions to migrate through the material. In this work, crack-induced diffusivity in concrete is modelled on the heterogeneous mesoscale and computationally homogenized to obtain macroscale diffusivity properties. Computations are carried out using the finite element method on three-dimensional statistical volume elements (SVEs) comprising the mesoscale constituents in terms of cement paste, aggregates and the interfacial transition zone (ITZ). The SVEs are subjected to uni-axial tension loading and cracks are simulated by use of an isotropic damage model. In a damaged finite element, the crack plane is assumed to be perpendicular to the largest principle strain, and diffusivity properties are assigned to the element only in the in-plane direction of the crack by anisotropic constitutive modelling. The numerical results show that the macroscale diffusivity of concrete can be correlated to the applied mechanical straining of the SVE and that the macroscale diffusivity increases mainly in the transversal direction relative to the axis of imposed mechanical straining.
Laminar flamelet modeling of turbulent diffusion flames
NASA Technical Reports Server (NTRS)
Mell, W. E.; Kosaly, G.; Planche, O.; Poinsot, T.; Ferziger, J. H.
1990-01-01
In modeling turbulent combustion, decoupling the chemistry from the turbulence is of great practical significance. In cases in which the equilibrium chemistry model breaks down, laminar flamelet modeling (LFM) is a promising approach to decoupling. Here, the validity of this approach is investigated using direct numerical simulation of a simple chemical reaction in two-dimensional turbulence.
Laminar flamelet modeling of turbulent diffusion flames
NASA Astrophysics Data System (ADS)
Mell, W. E.; Kosaly, G.; Planche, O.; Poinsot, T.; Ferziger, J. H.
1990-12-01
In modeling turbulent combustion, decoupling the chemistry from the turbulence is of great practical significance. In cases in which the equilibrium chemistry model breaks down, laminar flamelet modeling (LFM) is a promising approach to decoupling. Here, the validity of this approach is investigated using direct numerical simulation of a simple chemical reaction in two-dimensional turbulence.
Shao, Yuan; Ramachandran, Sandhya; Arnold, Susan; Ramachandran, Gurumurthy
2017-03-01
The use of the turbulent eddy diffusion model and its variants in exposure assessment is limited due to the lack of knowledge regarding the isotropic eddy diffusion coefficient, DT. But some studies have suggested a possible relationship between DT and the air changes per hour (ACH) through a room. The main goal of this study was to accurately estimate DT for a range of ACH values by minimizing the difference between the concentrations measured and predicted by eddy diffusion model. We constructed an experimental chamber with a spatial concentration gradient away from the contaminant source, and conducted 27 3-hr long experiments using toluene and acetone under different air flow conditions (0.43-2.89 ACHs). An eddy diffusion model accounting for chamber boundary, general ventilation, and advection was developed. A mathematical expression for the slope based on the geometrical parameters of the ventilation system was also derived. There is a strong linear relationship between DT and ACH, providing a surrogate parameter for estimating DT in real-life settings. For the first time, a mathematical expression for the relationship between DT and ACH has been derived that also corrects for non-ideal conditions, and the calculated value of the slope between these two parameters is very close to the experimentally determined value. The values of DT obtained from the experiments are generally consistent with values reported in the literature. They are also independent of averaging time of measurements, allowing for comparison of values obtained from different measurement settings. These findings make the use of turbulent eddy diffusion models for exposure assessment in workplace/indoor environments more practical.
A Novel Restricted Diffusion Model of Evoked Dopamine
2015-01-01
In vivo fast-scan cyclic voltammetry provides high-fidelity recordings of electrically evoked dopamine release in the rat striatum. The evoked responses are suitable targets for numerical modeling because the frequency and duration of the stimulus are exactly known. Responses recorded in the dorsal and ventral striatum of the rat do not bear out the predictions of a numerical model that assumes the presence of a diffusion gap interposed between the recording electrode and nearby dopamine terminals. Recent findings, however, suggest that dopamine may be subject to restricted diffusion processes in brain extracellular space. A numerical model cast to account for restricted diffusion produces excellent agreement between simulated and observed responses recorded under a broad range of anatomical, stimulus, and pharmacological conditions. The numerical model requires four, and in some cases only three, adjustable parameters and produces meaningful kinetic parameter values. PMID:24983330
Characteristics of diffuse muscular coactivation (DMC) in persons with fibromyalgia -- part 2.
Donaldson, C C S; MacInnis, A L; Snelling, L S; Sella, G E; Mueller, H H
2002-01-01
This study examined the electrical characteristics (Root Mean Square -- RMS and median frequency) of Diffuse Muscular Coactivation (DMC) associated with the tender points of fibromyalgia. DMC is defined as an increase from resting levels (tonus) in the electrical activity of any muscle during a movement which does not involve that muscle and is not part of the agonist -- antagonist unit. The results show an increase in RMS in fibromyalgia sufferers as compared to controls. Coactivation was stronger proximal to the neck and decreased in intensity as the area recorded moved distally. Median frequency changed over time but not significantly between groups. Possible neurological mechanisms are discussed.
Guideline for fluid modeling of atmospheric diffusion
NASA Astrophysics Data System (ADS)
Snyder, W. H.
1981-04-01
The usefulness of fluid models are evaluated from both scientific and engineering viewpoints. Because many detailed decisions must be made during the design and execution of each model study, and because the fundamental principles frequency do not provide enough guidance, extensive discussion of the details of the most common types of modeling problems are provided. The hardware requirements are also discussed. This guidance is intended to be of use both to scientists and engineering involved in operating fluid modeling facilities and to air pollution control officials in evaluating the quality and credibility of the reports from such studies.
Langevin equation with fluctuating diffusivity: A two-state model
NASA Astrophysics Data System (ADS)
Miyaguchi, Tomoshige; Akimoto, Takuma; Yamamoto, Eiji
2016-07-01
Recently, anomalous subdiffusion, aging, and scatter of the diffusion coefficient have been reported in many single-particle-tracking experiments, though the origins of these behaviors are still elusive. Here, as a model to describe such phenomena, we investigate a Langevin equation with diffusivity fluctuating between a fast and a slow state. Namely, the diffusivity follows a dichotomous stochastic process. We assume that the sojourn time distributions of these two states are given by power laws. It is shown that, for a nonequilibrium ensemble, the ensemble-averaged mean-square displacement (MSD) shows transient subdiffusion. In contrast, the time-averaged MSD shows normal diffusion, but an effective diffusion coefficient transiently shows aging behavior. The propagator is non-Gaussian for short time and converges to a Gaussian distribution in a long-time limit; this convergence to Gaussian is extremely slow for some parameter values. For equilibrium ensembles, both ensemble-averaged and time-averaged MSDs show only normal diffusion and thus we cannot detect any traces of the fluctuating diffusivity with these MSDs. Therefore, as an alternative approach to characterizing the fluctuating diffusivity, the relative standard deviation (RSD) of the time-averaged MSD is utilized and it is shown that the RSD exhibits slow relaxation as a signature of the long-time correlation in the fluctuating diffusivity. Furthermore, it is shown that the RSD is related to a non-Gaussian parameter of the propagator. To obtain these theoretical results, we develop a two-state renewal theory as an analytical tool.
Modeling Copper Diffusion in Polycrystalline CdTe Solar Cells
Akis, Richard; Brinkman, Daniel; Sankin, Igor; Fang, Tian; Guo, Da; Vasileska, Dragica; Ringhofer, Christain
2014-06-06
It is well known that Cu plays an important role in CdTe solar cell performance as a dopant. In this work, a finite-difference method is developed and used to simulate Cu diffusion in CdTe solar cells. In the simulations, which are done on a two-dimensional (2D) domain, the CdTe is assumed to be polycrystalline, with the individual grains separated by grain boundaries. When used to fit experimental Cu concentration data, bulk and grain boundary diffusion coefficients and activation energies for CdTe can be extracted. In the past, diffusion coefficients have been typically obtained by fitting data to simple functional forms of limited validity. By doing full simulations, the simplifying assumptions used in those analytical models are avoided and diffusion parameters can thus be determined more accurately
Modelling of monovacancy diffusion in W over wide temperature range
Bukonte, L. Ahlgren, T.; Heinola, K.
2014-03-28
The diffusion of monovacancies in tungsten is studied computationally over a wide temperature range from 1300 K until the melting point of the material. Our modelling is based on Molecular Dynamics technique and Density Functional Theory. The monovacancy migration barriers are calculated using nudged elastic band method for nearest and next-nearest neighbour monovacancy jumps. The diffusion pre-exponential factor for monovacancy diffusion is found to be two to three orders of magnitude higher than commonly used in computational studies, resulting in attempt frequency of the order 10{sup 15} Hz. Multiple nearest neighbour jumps of monovacancy are found to play an important role in the contribution to the total diffusion coefficient, especially at temperatures above 2/3 of T{sub m}, resulting in an upward curvature of the Arrhenius diagram. The probabilities for different nearest neighbour jumps for monovacancy in W are calculated at different temperatures.
An Urban Diffusion Simulation Model for Carbon Monoxide
ERIC Educational Resources Information Center
Johnson, W. B.; And Others
1973-01-01
A relatively simple Gaussian-type diffusion simulation model for calculating urban carbon (CO) concentrations as a function of local meteorology and the distribution of traffic is described. The model can be used in two ways: in the synoptic mode and in the climatological mode. (Author/BL)
A combinatorial model of malware diffusion via bluetooth connections.
Merler, Stefano; Jurman, Giuseppe
2013-01-01
We outline here the mathematical expression of a diffusion model for cellphones malware transmitted through Bluetooth channels. In particular, we provide the deterministic formula underlying the proposed infection model, in its equivalent recursive (simple but computationally heavy) and closed form (more complex but efficiently computable) expression.
A Combinatorial Model of Malware Diffusion via Bluetooth Connections
Merler, Stefano; Jurman, Giuseppe
2013-01-01
We outline here the mathematical expression of a diffusion model for cellphones malware transmitted through Bluetooth channels. In particular, we provide the deterministic formula underlying the proposed infection model, in its equivalent recursive (simple but computationally heavy) and closed form (more complex but efficiently computable) expression. PMID:23555677
Restabilizing Forcing for a Diffusive Prey-Predator Model
NASA Astrophysics Data System (ADS)
Buonomo, Bruno; Rionero, Salvatore
2008-04-01
We consider a diffusive prey-predator model and find conditions under which a relevant non trivial equilibrium undergoes to Turing bifurcation. Then, a forcing is applied to the model and values of forcing able to regain the (nonlinear) stability are detected. A maximal restabilizing region is derived.
A Diffusion Model Account of the Lexical Decision Task
ERIC Educational Resources Information Center
Ratcliff, Roger; Gomez, Pablo; McKoon, Gail
2004-01-01
The diffusion model for 2-choice decisions (R. Ratcliff, 1978) was applied to data from lexical decision experiments in which word frequency, proportion of high- versus low-frequency words, and type of nonword were manipulated. The model gave a good account of all of the dependent variables--accuracy, correct and error response times, and their…
Modeling phosphorus diffusion gettering of iron in single crystal silicon
NASA Astrophysics Data System (ADS)
Haarahiltunen, A.; Savin, H.; Yli-Koski, M.; Talvitie, H.; Sinkkonen, J.
2009-01-01
We propose a quantitative model for phosphorus diffusion gettering (PDG) of iron in silicon, which is based on a special fitting procedure to experimental data. We discuss the possibilities of the underlying physics of the segregation coefficient. Finally, we show that the proposed PDG model allows quantitative analysis of gettering efficiency of iron at various processing conditions.
An Urban Diffusion Simulation Model for Carbon Monoxide
ERIC Educational Resources Information Center
Johnson, W. B.; And Others
1973-01-01
A relatively simple Gaussian-type diffusion simulation model for calculating urban carbon (CO) concentrations as a function of local meteorology and the distribution of traffic is described. The model can be used in two ways: in the synoptic mode and in the climatological mode. (Author/BL)
A Diffusion Model Account of the Lexical Decision Task
ERIC Educational Resources Information Center
Ratcliff, Roger; Gomez, Pablo; McKoon, Gail
2004-01-01
The diffusion model for 2-choice decisions (R. Ratcliff, 1978) was applied to data from lexical decision experiments in which word frequency, proportion of high- versus low-frequency words, and type of nonword were manipulated. The model gave a good account of all of the dependent variables--accuracy, correct and error response times, and their…
A molecular diffusion based utility model for Drosophila larval phototaxis.
Gong, Zhejun; Gong, Zhefeng
2012-02-02
Generally, utility based decision making models focus on experimental outcomes. In this paper we propose a utility model based on molecular diffusion to simulate the choice behavior of Drosophila larvae exposed to different light conditions. In this paper, light/dark choice-based Drosophila larval phototaxis is analyzed with our molecular diffusion based model. An ISCEM algorithm is developed to estimate the model parameters. By applying this behavioral utility model to light intensity and phototaxis data, we show that this model fits the experimental data very well. Our model provides new insights into decision making mechanisms in general. From an engineering viewpoint, we propose that the model could be applied to a wider range of decision making practices.
A three-dimensional spin-diffusion model for micromagnetics
Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Hrkac, Gino; Praetorius, Dirk; Suess, Dieter
2015-01-01
We solve a time-dependent three-dimensional spin-diffusion model coupled to the Landau-Lifshitz-Gilbert equation numerically. The presented model is validated by comparison to two established spin-torque models: The model of Slonzewski that describes spin-torque in multi-layer structures in the presence of a fixed layer and the model of Zhang and Li that describes current driven domain-wall motion. It is shown that both models are incorporated by the spin-diffusion description, i.e., the nonlocal effects of the Slonzewski model are captured as well as the spin-accumulation due to magnetization gradients as described by the model of Zhang and Li. Moreover, the presented method is able to resolve the time dependency of the spin-accumulation. PMID:26442796
A three-dimensional spin-diffusion model for micromagnetics.
Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Hrkac, Gino; Praetorius, Dirk; Suess, Dieter
2015-10-07
We solve a time-dependent three-dimensional spin-diffusion model coupled to the Landau-Lifshitz-Gilbert equation numerically. The presented model is validated by comparison to two established spin-torque models: The model of Slonzewski that describes spin-torque in multi-layer structures in the presence of a fixed layer and the model of Zhang and Li that describes current driven domain-wall motion. It is shown that both models are incorporated by the spin-diffusion description, i.e., the nonlocal effects of the Slonzewski model are captured as well as the spin-accumulation due to magnetization gradients as described by the model of Zhang and Li. Moreover, the presented method is able to resolve the time dependency of the spin-accumulation.
A molecular diffusion based utility model for Drosophila larval phototaxis
2012-01-01
Background Generally, utility based decision making models focus on experimental outcomes. In this paper we propose a utility model based on molecular diffusion to simulate the choice behavior of Drosophila larvae exposed to different light conditions. Methods In this paper, light/dark choice-based Drosophila larval phototaxis is analyzed with our molecular diffusion based model. An ISCEM algorithm is developed to estimate the model parameters. Results By applying this behavioral utility model to light intensity and phototaxis data, we show that this model fits the experimental data very well. Conclusions Our model provides new insights into decision making mechanisms in general. From an engineering viewpoint, we propose that the model could be applied to a wider range of decision making practices. PMID:22300450
Relaxation and diffusion models with non-singular kernels
NASA Astrophysics Data System (ADS)
Sun, HongGuang; Hao, Xiaoxiao; Zhang, Yong; Baleanu, Dumitru
2017-02-01
Anomalous relaxation and diffusion processes have been widely quantified by fractional derivative models, where the definition of the fractional-order derivative remains a historical debate due to its limitation in describing different kinds of non-exponential decays (e.g. stretched exponential decay). Meanwhile, many efforts by mathematicians and engineers have been made to overcome the singularity of power function kernel in its definition. This study first explores physical properties of relaxation and diffusion models where the temporal derivative was defined recently using an exponential kernel. Analytical analysis shows that the Caputo type derivative model with an exponential kernel cannot characterize non-exponential dynamics well-documented in anomalous relaxation and diffusion. A legitimate extension of the previous derivative is then proposed by replacing the exponential kernel with a stretched exponential kernel. Numerical tests show that the Caputo type derivative model with the stretched exponential kernel can describe a much wider range of anomalous diffusion than the exponential kernel, implying the potential applicability of the new derivative in quantifying real-world, anomalous relaxation and diffusion processes.
Anomalous Transport of Cosmic Rays in a Nonlinear Diffusion Model
NASA Astrophysics Data System (ADS)
Litvinenko, Yuri E.; Fichtner, Horst; Walter, Dominik
2017-05-01
We investigate analytically and numerically the transport of cosmic rays following their escape from a shock or another localized acceleration site. Observed cosmic-ray distributions in the vicinity of heliospheric and astrophysical shocks imply that anomalous, superdiffusive transport plays a role in the evolution of the energetic particles. Several authors have quantitatively described the anomalous diffusion scalings, implied by the data, by solutions of a formal transport equation with fractional derivatives. Yet the physical basis of the fractional diffusion model remains uncertain. We explore an alternative model of the cosmic-ray transport: a nonlinear diffusion equation that follows from a self-consistent treatment of the resonantly interacting cosmic-ray particles and their self-generated turbulence. The nonlinear model naturally leads to superdiffusive scalings. In the presence of convection, the model yields a power-law dependence of the particle density on the distance upstream of the shock. Although the results do not refute the use of a fractional advection-diffusion equation, they indicate a viable alternative to explain the anomalous diffusion scalings of cosmic-ray particles.
A coupled model for intragranular deformation and chemical diffusion
NASA Astrophysics Data System (ADS)
Zhong, Xin; Vrijmoed, Johannes; Moulas, Evangelos; Tajčmanová, Lucie
2017-09-01
A coupled model for chemical diffusion and mechanical deformation is developed in analogy to the studies of poroelasticity and thermoelasticity. Nondimensionalization of the governing equations yields a controlling dimensionless parameter, the Deborah number, given by the ratio of the characteristic time for pressure relaxation and concentration homogenization. Using the Deborah number two types of plausible chemical zonation are distinguished, i.e. diffusion controlled, and mechanically controlled. The transition between these two types of chemical zonation is determined at the conditions where the Deborah number equals one. We apply our model to a chemically zoned plagioclase rim in a spherical coordinate frame assuming homogeneous initial pressure. Using thermodynamic data, an experimentally derived diffusion coefficient and a viscous flow law for plagioclase, our numerical simulations show that up to ∼0.6 GPa grain-scale pressure variation is generated during the diffusion-deformation process. Due to the mechanical-chemical coupling, the pressure variations maintain the chemical zonation longer than predicted by the classical diffusion model. The fully coupled mechanical-chemical model provides an alternative explanation for the preservation of chemically zoned minerals, and may contribute to a better understanding of metamorphic processes in the deep Earth interior.
Notes on the Langevin model for turbulent diffusion of ``marked`` particles
Rodean, H.C.
1994-01-26
Three models for scalar diffusion in turbulent flow (eddy diffusivity, random displacement, and on the Langevin equation) are briefly described. These models random velocity increment based Fokker-Planck equation is introduced as are then examined in more detail in the reverse order. The Fokker-Planck equation is the Eulerian equivalent of the Lagrangian Langevin equation, and the derivation of e outlined. The procedure for obtaining the deterministic and stochastic components of the Langevin equation from Kolmogorov`s 1941 inertial range theory and the Fokker-Planck equation is described. it is noted that a unique form of the Langevin equation can be determined for diffusion in one dimension but not in two or three. The Langevin equation for vertical diffusion in the non-Gaussian convective boundary layer is presented and successively simplified for Gaussian inhomogeneous turbulence and Gaussian homogeneous turbulence in turn. The Langevin equation for Gaussian inhomogeneous turbulence is mathematically transformed into the random displacement model. It is shown how the Fokker-Planck equation for the random displacement model is identical in form to the partial differential equation for the eddy diffusivity model. It is noted that the Langevin model is applicable in two cases in which the other two are not valid: (1) very close in time and distance to the point of scalar release and (2) the non-Gaussian convective boundary layer. The two- and three-dimensional cases are considered in Part III.
Cross-diffusion in the two-variable Oregonator model
NASA Astrophysics Data System (ADS)
Berenstein, Igal; Beta, Carsten
2013-09-01
We explore the effect of cross-diffusion on pattern formation in the two-variable Oregonator model of the Belousov-Zhabotinsky reaction. For high negative cross-diffusion of the activator (the activator being attracted towards regions of increased inhibitor concentration) we find, depending on the values of the parameters, Turing patterns, standing waves, oscillatory Turing patterns, and quasi-standing waves. For the inhibitor, we find that positive cross-diffusion (the inhibitor being repelled by increasing concentrations of the activator) can induce Turing patterns, jumping waves and spatially modulated bulk oscillations. We qualitatively explain the formation of these patterns. With one model we can explain Turing patterns, standing waves and jumping waves, which previously was done with three different models.
q-Space Deep Learning: Twelve-Fold Shorter and Model-Free Diffusion MRI Scans.
Golkov, Vladimir; Dosovitskiy, Alexey; Sperl, Jonathan I; Menzel, Marion I; Czisch, Michael; Samann, Philipp; Brox, Thomas; Cremers, Daniel
2016-05-01
Numerous scientific fields rely on elaborate but partly suboptimal data processing pipelines. An example is diffusion magnetic resonance imaging (diffusion MRI), a non-invasive microstructure assessment method with a prominent application in neuroimaging. Advanced diffusion models providing accurate microstructural characterization so far have required long acquisition times and thus have been inapplicable for children and adults who are uncooperative, uncomfortable, or unwell. We show that the long scan time requirements are mainly due to disadvantages of classical data processing. We demonstrate how deep learning, a group of algorithms based on recent advances in the field of artificial neural networks, can be applied to reduce diffusion MRI data processing to a single optimized step. This modification allows obtaining scalar measures from advanced models at twelve-fold reduced scan time and detecting abnormalities without using diffusion models. We set a new state of the art by estimating diffusion kurtosis measures from only 12 data points and neurite orientation dispersion and density measures from only 8 data points. This allows unprecedentedly fast and robust protocols facilitating clinical routine and demonstrates how classical data processing can be streamlined by means of deep learning.
Lattice Boltzmann model for nonlinear convection-diffusion equations.
Shi, Baochang; Guo, Zhaoli
2009-01-01
A lattice Boltzmann model for convection-diffusion equation with nonlinear convection and isotropic-diffusion terms is proposed through selecting equilibrium distribution function properly. The model can be applied to the common real and complex-valued nonlinear evolutionary equations, such as the nonlinear Schrödinger equation, complex Ginzburg-Landau equation, Burgers-Fisher equation, nonlinear heat conduction equation, and sine-Gordon equation, by using a real and complex-valued distribution function and relaxation time. Detailed simulations of these equations are performed, and it is found that the numerical results agree well with the analytical solutions and the numerical solutions reported in previous studies.
A diffuse radar scattering model from Martian surface rocks
NASA Astrophysics Data System (ADS)
Calvin, W. M.; Jakosky, B. M.; Christensen, P. R.
1987-05-01
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.
NASA Technical Reports Server (NTRS)
Srinivasan, R. Srini; Gerth, Wayne A.; Powell, Michael R.; Paloski, William H. (Technical Monitor)
2000-01-01
A three-region mathematical model of gas bubble dynamics has been shown suitable for describing diffusion-limited dynamics of more than one bubble in a given volume of extravascular tissue. The model is based on the dynamics of gas exchange between a bubble and a well-stirred tissue region through an intervening unperfused diffusion region previously assumed to have constant thickness and uniform gas diffusivity. As a result, the gas content of the diffusion region remains constant as the volume of the region increases with bubble growth, causing dissolved gas in the region to violate Henry's law. Earlier work also neglected the relationship between the varying diffusion region volume and the fixed total tissue volume, because only cases in which the diffusion region volume is a small fraction of the overall tissue volume were considered. We herein extend the three-region model to correct these theoretical inconsistencies by allowing both the thickness and gas content of the diffusion region to vary during bubble evolution. A postulated difference in gas diffusivity between an infinitesimally thin layer at the bubble surface and the remainder of the diffusion region leads to variation in diffusion region gas content and thickness during bubble growth and resolution. This variable thickness, differential diffusivity (VTDD) model can yield bubble lifetimes considerably longer than those yielded by earlier three-region models for given model and decompression parameters, and meets a need for theoretically consistent but relatively simple bubble dynamics models for use in studies of decompression sickness (DCS) in human subjects, Keywords: decompression sickness, gas diffusion in tissue, diffusivity
THE SEPARATION OF URANIUM ISOTOPES BY GASEOUS DIFFUSION: A LINEAR PROGRAMMING MODEL,
URANIUM, ISOTOPE SEPARATION), (*GASEOUS DIFFUSION SEPARATION, LINEAR PROGRAMMING ), (* LINEAR PROGRAMMING , GASEOUS DIFFUSION SEPARATION), MATHEMATICAL MODELS, GAS FLOW, NUCLEAR REACTORS, OPERATIONS RESEARCH
MESOI: an interactive Lagrangian trajectory puff diffusion model
Ramsdell, J.V.; Athey, G.F.
1981-12-01
MESOI is an interactive Lagrangian trajectory puff diffusion model based on an earlier model by Start and Wendell at the Air Resources Laboratory Field Office at Idaho Falls, Idaho. Puff trajectories are determined using spatially and temporally varying wind fields. Diffusion in the puffs is computed as a function of distance traveled and atmospheric stability. Exposures are computed at nodes of a 31 by 31 grid. There is also provision for interpolation of short term exposures at off-grid locations. This report discusses: the theoretical bases of the model, the numerical approach used in the model, and the sensitivity and accuracy of the model. It contains a description of the computer program and a listing of the code. MESOI is written in FORTRAN. A companion report (Athey, Allwine and Ramsdell, 1981) contains a user's guide to MESOI and documents utility programs that maintain the data files needed by the model.
A stellar model with diffusion in general relativity
NASA Astrophysics Data System (ADS)
Alho, A.; Calogero, S.
2017-10-01
We consider a spherically symmetric stellar model in general relativity whose interior consists of a pressureless fluid undergoing microscopic velocity diffusion in a cosmological scalar field. We show that the diffusion dynamics compel the interior to be spatially homogeneous, by which one can infer immediately that within our model, and in contrast to the diffusion-free case, no naked singularities can form in the gravitational collapse. We then study the problem of matching an exterior Bondi type metric to the surface of the star and find that the exterior can be chosen to be a modified Vaidya metric with variable cosmological constant. Finally, we study in detail the causal structure of an explicit, self-similar solution.
An effective diffusivity model based on Koopman mode decomposition
NASA Astrophysics Data System (ADS)
Arbabi, Hassan; Mezic, Igor
2016-11-01
In the previous work, we had shown that the Koopman mode decomposition (KMD) can be used to analyze mixing of passive tracers in time-dependent flows. In this talk, we discuss the extension of this type of analysis to the case of advection-diffusion transport for passive scalar fields. Application of KMD to flows with complex time-dependence yields a decomposition of the flow into mean, periodic and chaotic components. We briefly discuss the computation of these components using a combination of harmonic averaging and Discrete Fourier Transform. We propose a new effective diffusivity model in which the advection is dominated by mean and periodic components whereas the effect of chaotic motion is absorbed into an effective diffusivity tensor. The performance of this model is investigated in the case of lid-driven cavity flow.
Some Approaches to Modeling Diffuse Flow at Mid-Ocean Ridges
NASA Astrophysics Data System (ADS)
Farough, A.; Lowell, R. P.; Craft, K.; Germanovich, L. N.
2011-12-01
To obtain a sound understanding of subsurface temperatures and the extent of the subsurface biosphere in young oceanic crust, one must understand the mechanisms of diffuse flow at oceanic spreading centers. Mathematical modeling of diffuse flow at oceanic spreading centers has received relatively little attention compared to high-temperature black smoker discharge, in part because the temperature and fluid flow data required to constrain the models are scarce. We review a number of different approaches to modelling diffuse flow: (1) The simplest method considers 1-D steady-state uniform upflow from below subject to a heat transfer boundary condition at the surface, which represents the effects of mixing of hydrothermal fluid with seawater. These models, in which the heat transfer coefficient and the velocity of the ascending fluid are constrained by observed diffuse flow vent temperature and heat flux, typically result in a steep temperature gradient near the seafloor and subsurface biological activity may be limited to the upper few cm of the crust. (2) A related method uses data on the partitioning of heat flux between focused and diffuse flow and chemical data from the focused and diffuse flow components in a two-limb single pass modeling approach to determine the fraction of high-temperature fluid that is incorporated in the diffuse flow. Using data available from EPR 950', the Main Endeavour Field, and ASHES vent field at Axial Volcano on the Juan de Fuca Ridge in conjunction with Mg as a passive tracer, we find that the mixing ratio of high temperature in diffuse flow is <10%. The high-temperature contribution to the diffuse heat flux remains large, however, and high-temperature vent fluid ultimately contributes ~ 90% of the total heat output from the vent field. In these models mixing between high-temperature fluid and seawater may occur over a considerable depth, and the subsurface biosphere may be ~ 100 m deep beneath diffuse flow sites. (3) Finally, in
NASA Astrophysics Data System (ADS)
Chau, J. F.; Or, D.; Jones, S.; Sukop, M.
2004-05-01
Liquid distribution in unsaturated porous media under different gravitational forces and resulting gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. Different fluid behavior in plant growth media under microgravity conditions as compared to earth presents a challenge to plant growth in long duration space exploration missions. Our primary objective was to provide qualitative description and quantitative measures of the role of reduced gravity on hydraulic and gaseous transport properties in simulated porous media. We implemented a multi-phase lattice Boltzmann code for equilibrium distribution of liquid in an idealized two-dimensional porous medium under microgravity and "normal" gravity conditions. The information was then used to provide boundary conditions for simulation of gaseous diffusion through the equilibrium domains (considering diffusion through liquid phase negligibly small). The models were tested by comparison with several analytical solutions to the diffusion equation, with excellent results. The relative diffusion coefficient for both series of simulations (with and without gravity) as functions of air-filled porosity was in good agreement with established models of Millington-Quirk. Liquid distribution under earth's gravity featured increased water content at the lower part of the medium relative to the distribution in reduced gravity, which resulted in decreased gas diffusion through a vertically oriented column of a porous medium. Simulation results for larger domains under various orientations will be presented.
Computer modelling of nanoscale diffusion phenomena at epitaxial interfaces
NASA Astrophysics Data System (ADS)
Michailov, M.; Ranguelov, B.
2014-05-01
The present study outlines an important area in the application of computer modelling to interface phenomena. Being relevant to the fundamental physical problem of competing atomic interactions in systems with reduced dimensionality, these phenomena attract special academic attention. On the other hand, from a technological point of view, detailed knowledge of the fine atomic structure of surfaces and interfaces correlates with a large number of practical problems in materials science. Typical examples are formation of nanoscale surface patterns, two-dimensional superlattices, atomic intermixing at an epitaxial interface, atomic transport phenomena, structure and stability of quantum wires on surfaces. We discuss here a variety of diffusion mechanisms that control surface-confined atomic exchange, formation of alloyed atomic stripes and islands, relaxation of pure and alloyed atomic terraces, diffusion of clusters and their stability in an external field. The computational model refines important details of diffusion of adatoms and clusters accounting for the energy barriers at specific atomic sites: smooth domains, terraces, steps and kinks. The diffusion kinetics, integrity and decomposition of atomic islands in an external field are considered in detail and assigned to specific energy regions depending on the cluster stability in mass transport processes. The presented ensemble of diffusion scenarios opens a way for nanoscale surface design towards regular atomic interface patterns with exotic physical features.
Toxicological Models Part B: Environmental Models
NASA Astrophysics Data System (ADS)
Garric, Jeanne; Thybaud, Eric
Assessment of ecotoxicological risks due to chemical substances is based in part on establishing concentration-response relationships for different organisms, including plants, invertebrates, and vertebrates living on land, fresh water, or sea water. European regulations for assessing the risks due to chemical products thus recommend the measurement of toxic effects on at least three taxons (algae, crustacea, fish) [1]. The assessment becomes more relevant when based upon a variety of different organisms, with a range of different biological and ecological features (autotrophic or heterotrophic, benthic or pelagic habitat, and different modes of reproduction, growth, respiration, or feeding, etc.), but also when it describes the effects of contaminants on sensitive physiological functions such as growth and reproduction, which determine the balance of populations of terrestrial and aquatic species in their environment.
GIS-BASED 1-D DIFFUSIVE WAVE OVERLAND FLOW MODEL
KALYANAPU, ALFRED; MCPHERSON, TIMOTHY N.; BURIAN, STEVEN J.
2007-01-17
This paper presents a GIS-based 1-d distributed overland flow model and summarizes an application to simulate a flood event. The model estimates infiltration using the Green-Ampt approach and routes excess rainfall using the 1-d diffusive wave approximation. The model was designed to use readily available topographic, soils, and land use/land cover data and rainfall predictions from a meteorological model. An assessment of model performance was performed for a small catchment and a large watershed, both in urban environments. Simulated runoff hydrographs were compared to observations for a selected set of validation events. Results confirmed the model provides reasonable predictions in a short period of time.
Cosmic ray anisotropy in fractional differential models of anomalous diffusion
Uchaikin, V. V.
2013-06-15
The problem of galactic cosmic ray anisotropy is considered in two versions of the fractional differential model for anomalous diffusion. The simplest problem of cosmic ray propagation from a point instantaneous source in an unbounded medium is used as an example to show that the transition from the standard diffusion model to the Lagutin-Uchaikin fractional differential model (with characteristic exponent {alpha} = 3/5 and a finite velocity of free particle motion), which gives rise to a knee in the energy spectrum at 10{sup 6} GeV, increases the anisotropy coefficient only by 20%, while the anisotropy coefficient in the Lagutin-Tyumentsev model (with exponents {alpha} = 0.3 and {beta} = 0.8, a long stay of particles in traps, and an infinite velocity of their jumps) is close to one. This is because the parameters of the Lagutin-Tyumentsev model have been chosen improperly.
Mathematical properties of models of the reaction-diffusion type
NASA Astrophysics Data System (ADS)
Beccaria, M.; Soliani, G.
Nonlinear systems of the reaction-diffusion (RD) type, including Gierer-Meinhardt models of autocatalysis, are studied using Lie algebras coming from their prolongation structure. Depending on the form of the functions of the fields characterizing the reactions among them, we consider both quadratic and cubic RD equations. On the basis of the prolongation algebra associated with a given RD model, we distinguish the model as a completely linearizable or a partially linearizable system. In this classification a crucial role is played by the relative sign of the diffusion coefficients, which strongly influence the properties of the system. In correspondence to the above situations, different algebraic characterizations, together with exact and approximate solutions, are found. Interesting examples are the quadratic RD model, which admits an exact solution in terms of the elliptic Weierstrass function, and the cubic Gierer-Meinhardt model, whose prolongation algebra leads to the similitude group in the plane.
Approximating nonequilibrium processes using a collection of surrogate diffusion models
NASA Astrophysics Data System (ADS)
Calderon, Christopher P.; Chelli, Riccardo
2008-04-01
The surrogate process approximation (SPA) is applied to model the nonequilibrium dynamics of a reaction coordinate (RC) associated with the unfolding and refolding processes of a deca-alanine peptide at 300K. The RC dynamics, which correspond to the evolution of the end-to-end distance of the polypeptide, are produced by steered molecular dynamics (SMD) simulations and approximated using overdamped diffusion models. We show that the collection of (estimated) SPA models contain structural information "orthogonal" to the RC monitored in this study. Functional data analysis ideas are used to correlate functions associated with the fitted SPA models with the work done on the system in SMD simulations. It is demonstrated that the shape of the nonequilibrium work distributions for the unfolding and refolding processes of deca-alanine can be predicted with functional data analysis ideas using a relatively small number of simulated SMD paths for calibrating the SPA diffusion models.
User's Manual for the APRAC-1A Urban Diffusion Model Computer Program.
ERIC Educational Resources Information Center
Mancuso, R. L.; And Others
The APRAC-1A diffusion model was developed as a versatile and practical model for computing the concentrations of pollutants at any point within a city. The model calculates pollutant contributions from diffusion on various scales, including: extra-urban diffusion, mainly from sources in upwind cities; intra-urban diffusion from freeway, arterial,…
User's Manual for the APRAC-1A Urban Diffusion Model Computer Program.
ERIC Educational Resources Information Center
Mancuso, R. L.; And Others
The APRAC-1A diffusion model was developed as a versatile and practical model for computing the concentrations of pollutants at any point within a city. The model calculates pollutant contributions from diffusion on various scales, including: extra-urban diffusion, mainly from sources in upwind cities; intra-urban diffusion from freeway, arterial,…
Reaction Diffusion Modeling of Calcium Dynamics with Realistic ER Geometry
Means, Shawn; Smith, Alexander J.; Shepherd, Jason; Shadid, John; Fowler, John; Wojcikiewicz, Richard J. H.; Mazel, Tomas; Smith, Gregory D.; Wilson, Bridget S.
2006-01-01
We describe a finite-element model of mast cell calcium dynamics that incorporates the endoplasmic reticulum's complex geometry. The model is built upon a three-dimensional reconstruction of the endoplasmic reticulum (ER) from an electron tomographic tilt series. Tetrahedral meshes provide volumetric representations of the ER lumen, ER membrane, cytoplasm, and plasma membrane. The reaction-diffusion model simultaneously tracks changes in cytoplasmic and ER intraluminal calcium concentrations and includes luminal and cytoplasmic protein buffers. Transport fluxes via PMCA, SERCA, ER leakage, and Type II IP3 receptors are also represented. Unique features of the model include stochastic behavior of IP3 receptor calcium channels and comparisons of channel open times when diffusely distributed or aggregated in clusters on the ER surface. Simulations show that IP3R channels in close proximity modulate activity of their neighbors through local Ca2+ feedback effects. Cytoplasmic calcium levels rise higher, and ER luminal calcium concentrations drop lower, after IP3-mediated release from receptors in the diffuse configuration. Simulation results also suggest that the buffering capacity of the ER, and not restricted diffusion, is the predominant factor influencing average luminal calcium concentrations. PMID:16617072
Modeling intragranular diffusion in low-connectivity granular media
NASA Astrophysics Data System (ADS)
Ewing, Robert P.; Liu, Chongxuan; Hu, Qinhong
2012-03-01
Characterizing the diffusive exchange of solutes between bulk water in an aquifer and water in the intragranular pores of the solid phase is still challenging despite decades of study. Many disparities between observation and theory could be attributed to low connectivity of the intragranular pores. The presence of low connectivity indicates that a useful conceptual framework is percolation theory. The present study was initiated to develop a percolation-based finite difference (FD) model, and to test it rigorously against both random walk (RW) simulations of diffusion starting from nonequilibrium, and data on Borden sand published by Ball and Roberts (1991a,b) and subsequently reanalyzed by Haggerty and Gorelick (1995) using a multirate mass transfer (MRMT) approach. The percolation-theoretical model is simple and readily incorporated into existing FD models. The FD model closely matches the RW results using only a single fitting parameter, across a wide range of pore connectivities. Simulation of the Borden sand experiment without pore connectivity effects reproduced the MRMT analysis, but including low pore connectivity effects improved the fit. Overall, the theory and simulation results show that low intragranular pore connectivity can produce diffusive behavior that appears as if the solute had undergone slow sorption, despite the absence of any sorption process, thereby explaining some hitherto confusing aspects of intragranular diffusion.
Decomposing Task-Switching Costs with the Diffusion Model
ERIC Educational Resources Information Center
Schmitz, Florian; Voss, Andreas
2012-01-01
In four experiments, task-switching processes were investigated with variants of the alternating runs paradigm and the explicit cueing paradigm. The classical diffusion model for binary decisions (Ratcliff, 1978) was used to dissociate different components of task-switching costs. Findings can be reconciled with the view that task-switching…
Decomposing Task-Switching Costs with the Diffusion Model
ERIC Educational Resources Information Center
Schmitz, Florian; Voss, Andreas
2012-01-01
In four experiments, task-switching processes were investigated with variants of the alternating runs paradigm and the explicit cueing paradigm. The classical diffusion model for binary decisions (Ratcliff, 1978) was used to dissociate different components of task-switching costs. Findings can be reconciled with the view that task-switching…
Modeling development of inhibition zones in an agar diffusion bioassay
Chandrasekar, Vaishnavi; Knabel, Stephen J; Anantheswaran, Ramaswamy C
2015-01-01
A two-temperature agar diffusion bioassay is commonly used to quantify the concentration of nisin using Micrococcus luteus as the indicator microorganism. A finite element computational model based on Fick's second law of diffusion was used to predict the radius of the inhibition zone in this diffusion bioassay. The model developed was used to calculate nisin concentration profiles as a function of time and position within the agar. The minimum inhibitory concentration (MIC) of nisin against M. luteus was determined experimentally. The critical time (Tc) for growth of M. luteus within the agar diffusion bioassay was experimentally determined using incubation studies with nisin. The radius of the inhibition zone was predicted from the computational model as the location where the predicted nisin concentration at Tc was equal to MIC. The MIC was experimentally determined to be 0.156 μg mL−1, and Tc was determined to be 7 h. Good agreement (R2 = 0.984) was obtained between model-predicted and experimentally determined inhibition zone radii. PMID:26405525
Modeling development of inhibition zones in an agar diffusion bioassay.
Chandrasekar, Vaishnavi; Knabel, Stephen J; Anantheswaran, Ramaswamy C
2015-09-01
A two-temperature agar diffusion bioassay is commonly used to quantify the concentration of nisin using Micrococcus luteus as the indicator microorganism. A finite element computational model based on Fick's second law of diffusion was used to predict the radius of the inhibition zone in this diffusion bioassay. The model developed was used to calculate nisin concentration profiles as a function of time and position within the agar. The minimum inhibitory concentration (MIC) of nisin against M. luteus was determined experimentally. The critical time (T c) for growth of M. luteus within the agar diffusion bioassay was experimentally determined using incubation studies with nisin. The radius of the inhibition zone was predicted from the computational model as the location where the predicted nisin concentration at T c was equal to MIC. The MIC was experimentally determined to be 0.156 μg mL(-1), and T c was determined to be 7 h. Good agreement (R (2) = 0.984) was obtained between model-predicted and experimentally determined inhibition zone radii.
A simple reaction-rate model for turbulent diffusion flames
NASA Technical Reports Server (NTRS)
Bangert, L. H.
1975-01-01
A simple reaction rate model is proposed for turbulent diffusion flames in which the reaction rate is proportional to the turbulence mixing rate. The reaction rate is also dependent on the mean mass fraction and the mean square fluctuation of mass fraction of each reactant. Calculations are compared with experimental data and are generally successful in predicting the measured quantities.
KINETIC MODELING OF COUNTERFLOW DIFFUSION FLAMES OF BUTADIENE. (R828193)
A comprehensive, semi-detailed kinetic scheme was used to simulate the chemical structures of counterflow diffusion and fuel-rich premixed 1,3-butadiene flames, to better understand the formation of polycyclic aromatic hydrocarbons (PAH). The results showed that model predicti...
ZGB surface reaction model with high diffusion rates
NASA Astrophysics Data System (ADS)
Evans, J. W.
1993-02-01
The diffusionless ZGB (monomer-dimer) surface reaction model exhibits a discontinuous transition to a monomer-poisoned state when the fraction of monomer adsorption attempts exceeds 0.525. It has been claimed that this transition shifts to 2/3 with introduction of rapid diffusion of the monomer species, or of both species. We show this is not the case, 2/3 representing the spinodal rather than the transition point. For equal diffusion rates of both species, we find that the transition only shifts to 0.5951±0.0002.
ZGB surface reaction model with high diffusion rates
Evans, J.W. )
1993-02-01
The diffusionless ZGB (monomer--dimer) surface reaction model exhibits a discontinuous transition to a monomer-poisoned state when the fraction of monomer adsorption attempts exceeds 0.525. It has been claimed that this transition shifts to 2/3 with introduction of rapid diffusion of the monomer species, or of both species. We show this is not the case, 2/3 representing the spinodal rather than the transition point. For equal diffusion rates of both species, we find that the transition only shifts to 0.5951[plus minus]0.0002.
Modeling the diffusion of phosphorus in silicon in 3-D
Baker, K.R.
1994-12-31
The use of matrix preconditioning in semiconductor process simulation is examined. The simplified nonlinear single-species model for the diffusion of phosphorus into silicon is considered. The experimental three-dimensional simulator, PEPPER3, which uses finite differences and the numerical method of lines to implement the reaction-diffusion equation is modified to allow NSPCG to be called to solve the linear system in the inner Newton loop. Use of NSPCG allowed various accelerators such as Generalized Minimal Residual (GMRES) and Conjugate Gradient (CG) to be used in conjunction with preconditioners such as Richardson, Jacobi, and Incomplete Cholesky.
Diffusion model of the optical absorbance of whole blood.
Steinke, J M; Shepherd, A P
1988-06-01
Photon-diffusion theory has had limited success in modeling the optical transmittance of whole blood. Therefore we have developed a new photon-diffusion model of the optical absorbance of blood. The model has benefited from experiments designed to test its fundamental assumptions, and it has been compared extensively with transmittance data from whole blood. The model is consistent with both experimental and theoretical notions. Furthermore, when all parameters associated with a given optical geometry are known, the model needs no variational parameters to predict the absolute transmittance of whole blood. However, even if the exact value of the incident light intensity is unknown (which is the case in many situations), only a single additive constant is required to scale experiment to theory. Finally, the model is shown to be useful for simulating scattering effects and for delineating the relative contributions of the diffuse transmittance and the collimated transmittance to the total optical density of whole blood. Applications of the model include oximetry and measurements of the arteriovenous oxygen difference in whole, undiluted blood.
Computational models for large-scale simulations of facilitated diffusion.
Zabet, Nicolae Radu; Adryan, Boris
2012-11-01
The binding of site-specific transcription factors to their genomic target sites is a key step in gene regulation. While the genome is huge, transcription factors belong to the least abundant protein classes in the cell. It is therefore fascinating how short the time frame is that they require to home in on their target sites. The underlying search mechanism is called facilitated diffusion and assumes a combination of three-dimensional diffusion in the space around the DNA combined with one-dimensional random walk on it. In this review, we present the current understanding of the facilitated diffusion mechanism and identify questions that lack a clear or detailed answer. One way to investigate these questions is through stochastic simulation and, in this manuscript, we support the idea that such simulations are able to address them. Finally, we review which biological parameters need to be included in such computational models in order to obtain a detailed representation of the actual process.
Pressure swing adsorption processes: Intraparticle diffusion/convection models
Lu, Zuping; Loureiro, J.M.; LeVan, M.D. . Dept. of Chemical Engineering); Rodrigues, A.E. . School of Engineering)
1993-11-01
The dynamic behavior of a three-step one-column isothermal PSA process is assessed by simulation; three models are used: equilibrium, intraparticle diffusion, and intraparticle diffusion/convection. Two process performance parameters, product enrichment and recovery of the light component, are used to measure the separation performance. The effects of several operating variables on the process performance are addressed. Higher pressure ratios (P[sub h]/P[sub l]) and higher adsorption capacities increase the process performance. The process performance is practically independent of the step rates, although it can decrease if high feed rates are used together with large feed duration times. The limiting performance of the system is found in the absence of mass-transfer resistances. Intraparticle convection, enhancing mass transfer inside particles, increases the process performance relative to intraparticle diffusion alone; the improvement is limited by the equilibrium situation.
The effect of a realistic thermal diffusivity on numerical model of a subducting slab
NASA Astrophysics Data System (ADS)
Maierova, P.; Steinle-Neumann, G.; Cadek, O.
2010-12-01
A number of numerical studies of subducting slab assume simplified (constant or only depth-dependent) models of thermal conductivity. The available mineral physics data indicate, however, that thermal diffusivity is strongly temperature- and pressure-dependent and may also vary among different mantle materials. In the present study, we examine the influence of realistic thermal properties of mantle materials on the thermal state of the upper mantle and the dynamics of subducting slabs. On the basis of the data published in mineral physics literature we compile analytical relationships that approximate the pressure and temperature dependence of thermal diffusivity for major mineral phases of the mantle (olivine, wadsleyite, ringwoodite, garnet, clinopyroxenes, stishovite and perovskite). We propose a simplified composition of mineral assemblages predominating in the subducting slab and the surrounding mantle (pyrolite, mid-ocean ridge basalt, harzburgite) and we estimate their thermal diffusivity using the Hashin-Shtrikman bounds. The resulting complex formula for the diffusivity of each aggregate is then approximated by a simpler analytical relationship that is used in our numerical model as an input parameter. For the numerical modeling we use the Elmer software (open source finite element software for multiphysical problems, see http://www.csc.fi/english/pages/elmer). We set up a 2D Cartesian thermo-mechanical steady-state model of a subducting slab. The model is partly kinematic as the flow is driven by a boundary condition on velocity that is prescribed on the top of the subducting lithospheric plate. Reology of the material is non-linear and is coupled with the thermal equation. Using the realistic relationship for thermal diffusivity of mantle materials, we compute the thermal and flow fields for different input velocity and age of the subducting plate and we compare the results against the models assuming a constant thermal diffusivity. The importance of the
Transport Corrections in Nodal Diffusion Codes for HTR Modeling
Abderrafi M. Ougouag; Frederick N. Gleicher
2010-08-01
The cores and reflectors of High Temperature Reactors (HTRs) of the Next Generation Nuclear Plant (NGNP) type are dominantly diffusive media from the point of view of behavior of the neutrons and their migration between the various structures of the reactor. This means that neutron diffusion theory is sufficient for modeling most features of such reactors and transport theory may not be needed for most applications. Of course, the above statement assumes the availability of homogenized diffusion theory data. The statement is true for most situations but not all. Two features of NGNP-type HTRs require that the diffusion theory-based solution be corrected for local transport effects. These two cases are the treatment of burnable poisons (BP) in the case of the prismatic block reactors and, for both pebble bed reactor (PBR) and prismatic block reactor (PMR) designs, that of control rods (CR) embedded in non-multiplying regions near the interface between fueled zones and said non-multiplying zones. The need for transport correction arises because diffusion theory-based solutions appear not to provide sufficient fidelity in these situations.
Diffusion models in experimental psychology: a practical introduction.
Voss, Andreas; Nagler, Markus; Lerche, Veronika
2013-01-01
Stochastic diffusion models (Ratcliff, 1978) can be used to analyze response time data from binary decision tasks. They provide detailed information about cognitive processes underlying the performance in such tasks. Most importantly, different parameters are estimated from the response time distributions of correct responses and errors that map (1) the speed of information uptake, (2) the amount of information used to make a decision, (3) possible decision biases, and (4) the duration of nondecisional processes. Although this kind of model can be applied to many experimental paradigms and provides much more insight than the analysis of mean response times can, it is still rarely used in cognitive psychology. In the present paper, we provide comprehensive information on the theory of the diffusion model, as well as on practical issues that have to be considered for implementing the model.
A skewed PDF combustion model for jet diffusion flames. [Probability density function (PDF)
Abou-Ellail, M.M.M.; Salem, H. )
1990-11-01
A combustion model based on restricted chemical equilibrium is described. A transport equation for the skewness of the mixture fraction is derived. It contains two adjustable constants. The computed values of the mean mixture fraction (f) and its variance and skewness (g and s) for a jet diffusion methane flame are used to obtain the shape of a shewed pdf. The skewed pdf is split into a turbulent part (beta function) and a nonturbulent part (delta function) at f = 0. The contribution of each part is directly related to the values of f, g, and s. The inclusion of intermittency in the skewed pdf appreciably improves the numerical predictions obtained for a turbulent jet diffusion methane flame for which experimental data are available.
A model of diffuse radar scattering from Martian surface rocks
NASA Technical Reports Server (NTRS)
Calvin, Wendy M.; Jakosky, Bruce M.; Christensen, Philip R.
1988-01-01
Two physically plausible surface rock-orientation models are presently used to characterize the depolarized component of diffuse radar energy scattering on Mars, and plots of scattering cross-section are derived as a function of Doppler shift. The spectral shapes thus modeled exhibit similarities to observed spectra; their magnitudes are generally within a factor of about 2 of measured values. While surface inhomogeneities could account for the degree of discrepancy, subsurface element scattering may also be implicated.
Particle Tracking Model Transport Process Verification: Diffusion Algorithm
2015-07-01
dredged-material mounds, sediment caps, and contaminated sediment deposits. PTM models the physical processes of advection, diffusion, settling...requires the input of hydrodynamics (i.e., water surface elevation and velocities), defined upon a bathymetry grid that is provided through an external...without the computational overhead of regenerating flow conditions for each hydrodynamic run. PTM operates within the Surface- water Modeling System (SMS
Atomic scale modeling of boron transient diffusion in silicon
Caturla, M. J.; Diaz de la Rubia, T.; Foad, M.; Giles, M.; Johnson, M. D.; Law, M.; Lilak, A.
1998-06-17
We presents results from a predictive atomic level simulation of Boron diffusion in Silicon under a wide variety of implant and annealing conditions. The parameters for this simulation have been extracted from first principle approximation models and molecular dynamics simulations. The results are compared with experiments showing good agreement in all cases. The parameters and reactions used have been implemented into a continuum-level model simulator.
Robust and fast nonlinear optimization of diffusion MRI microstructure models.
Harms, R L; Fritz, F J; Tobisch, A; Goebel, R; Roebroeck, A
2017-07-15
Advances in biophysical multi-compartment modeling for diffusion MRI (dMRI) have gained popularity because of greater specificity than DTI in relating the dMRI signal to underlying cellular microstructure. A large range of these diffusion microstructure models have been developed and each of the popular models comes with its own, often different, optimization algorithm, noise model and initialization strategy to estimate its parameter maps. Since data fit, accuracy and precision is hard to verify, this creates additional challenges to comparability and generalization of results from diffusion microstructure models. In addition, non-linear optimization is computationally expensive leading to very long run times, which can be prohibitive in large group or population studies. In this technical note we investigate the performance of several optimization algorithms and initialization strategies over a few of the most popular diffusion microstructure models, including NODDI and CHARMED. We evaluate whether a single well performing optimization approach exists that could be applied to many models and would equate both run time and fit aspects. All models, algorithms and strategies were implemented on the Graphics Processing Unit (GPU) to remove run time constraints, with which we achieve whole brain dataset fits in seconds to minutes. We then evaluated fit, accuracy, precision and run time for different models of differing complexity against three common optimization algorithms and three parameter initialization strategies. Variability of the achieved quality of fit in actual data was evaluated on ten subjects of each of two population studies with a different acquisition protocol. We find that optimization algorithms and multi-step optimization approaches have a considerable influence on performance and stability over subjects and over acquisition protocols. The gradient-free Powell conjugate-direction algorithm was found to outperform other common algorithms in terms of
Bourne, Roger; Liang, Sisi; Panagiotaki, Eleftheria; Bongers, Andre; Sved, Paul; Watson, Geoffrey
2017-10-01
The purpose of this study was to measure and model the diffusion time dependence of apparent diffusion coefficient (ADC) and fractional anisotropy (FA) derived from conventional prostate diffusion-weighted imaging methods as used in recommended multiparametric MRI protocols. Diffusion tensor imaging (DTI) was performed at 9.4 T with three radical prostatectomy specimens, with diffusion times in the range 10-120 ms and b-values 0-3000 s/mm(2) . ADC and FA were calculated from DTI measurements at b-values of 800 and 1600 s/mm(2) . Independently, a two-component model (restricted isotropic plus Gaussian anisotropic) was used to synthesize DTI data, from which ADC and FA were predicted and compared with the measured values. Measured ADC and FA exhibited a diffusion time dependence, which was closely predicted by the two-component model. ADC decreased by about 0.10-0.15 μm(2) /ms as diffusion time increased from 10 to 120 ms. FA increased with diffusion time at b-values of 800 and 1600 s/mm(2) but was predicted to be independent of diffusion time at b = 3000 s/mm(2) . Both ADC and FA exhibited diffusion time dependence that could be modeled as two unmixed water pools - one having isotropic restricted dynamics, and the other unrestricted anisotropic dynamics. These results highlight the importance of considering and reporting diffusion times in conventional ADC and FA calculations and protocol recommendations, and inform the development of improved diffusion methods for prostate cancer imaging. Copyright © 2017 John Wiley & Sons, Ltd.
Modeling aerosol formation in opposed-flow diffusion flames.
Violi, Angela; D'Anna, Andrea; D'Alessio, Antonio; Sarofim, Adel F
2003-06-01
The microstructures of atmospheric pressure, counter-flow, sooting, flat, laminar ethylene diffusion flames have been studied numerically by using a new kinetic model developed for hydrocarbon oxidation and pyrolysis. Modeling results are in reasonable agreement with experimental data in terms of concentration profiles of stable species and gas-phase aromatic compounds. Modeling results are used to analyze the controlling steps of aromatic formation and soot growth in counter-flow configurations. The formation of high molecular mass aromatics in diffusion controlled conditions is restricted to a narrow area close to the flame front where these species reach a molecular weight of about 1000 u. Depending on the flame configuration, soot formation is controlled by the coagulation of nanoparticles or by the addition of PAH to soot nuclei.
Internal Composite Bound States in Deterministic Reaction Diffusion Models
NASA Astrophysics Data System (ADS)
Cooper, Fred; Ghoshal, Gourab; Pawling, Alec; Pérez-Mercader, Juan
2013-07-01
By identifying potential composite states that occur in the Sel’kov-Gray-Scott (GS) model, we show that it can be considered as an effective theory at large spatiotemporal scales, arising from a more fundamental theory (which treats these composite states as fundamental chemical species obeying the diffusion equation) relevant at shorter spatiotemporal scales. When simulations in the latter model are performed as a function of a parameter M=λ-1, the generated spatial patterns evolve at late times into those of the GS model at large M, implying that the composites follow their own unique dynamics at short scales. This separation of scales is an example of dynamical decoupling in reaction diffusion systems.
Numerical modelling and image reconstruction in diffuse optical tomography
Dehghani, Hamid; Srinivasan, Subhadra; Pogue, Brian W.; Gibson, Adam
2009-01-01
The development of diffuse optical tomography as a functional imaging modality has relied largely on the use of model-based image reconstruction. The recovery of optical parameters from boundary measurements of light propagation within tissue is inherently a difficult one, because the problem is nonlinear, ill-posed and ill-conditioned. Additionally, although the measured near-infrared signals of light transmission through tissue provide high imaging contrast, the reconstructed images suffer from poor spatial resolution due to the diffuse propagation of light in biological tissue. The application of model-based image reconstruction is reviewed in this paper, together with a numerical modelling approach to light propagation in tissue as well as generalized image reconstruction using boundary data. A comprehensive review and details of the basis for using spatial and structural prior information are also discussed, whereby the use of spectral and dual-modality systems can improve contrast and spatial resolution. PMID:19581256
Proton Diffusion Model for High-Throughput Calculations
NASA Astrophysics Data System (ADS)
Wisesa, Pandu; Mueller, Tim
2013-03-01
Solid oxide fuel cells (SOFCs) have many advantages over other fuel cells with high efficiency, myriad fuel choices, and low cost. The main issue however is the high operating temperature of SOFCs, which can be lowered by using an electrolyte material with high ionic conductivity, such as proton conducting oxides. Our goal is to identify promising proton-conducting materials in a manner that is time and cost efficient through the utilization of high-throughput calculations. We present a model for proton diffusion developed using machine learning techniques with training data that consists of density functional theory (DFT) calculations on various metal oxides. The built model is tested against other DFT results to see how it performs. The results of the DFT calculations and how the model fares are discussed, with focus on hydrogen diffusion pathways inside the bulk material.
Semiparametric Bayesian local functional models for diffusion tensor tract statistics☆
Hua, Zhaowei; Dunson, David B.; Gilmore, John H.; Styner, Martin A.; Zhu, Hongtu
2012-01-01
We propose a semiparametric Bayesian local functional model (BFM) for the analysis of multiple diffusion properties (e.g., fractional anisotropy) along white matter fiber bundles with a set of covariates of interest, such as age and gender. BFM accounts for heterogeneity in the shape of the fiber bundle diffusion properties among subjects, while allowing the impact of the covariates to vary across subjects. A nonparametric Bayesian LPP2 prior facilitates global and local borrowings of information among subjects, while an infinite factor model flexibly represents low-dimensional structure. Local hypothesis testing and credible bands are developed to identify fiber segments, along which multiple diffusion properties are significantly associated with covariates of interest, while controlling for multiple comparisons. Moreover, BFM naturally group subjects into more homogeneous clusters. Posterior computation proceeds via an efficient Markov chain Monte Carlo algorithm. A simulation study is performed to evaluate the finite sample performance of BFM. We apply BFM to investigate the development of white matter diffusivities along the splenium of the corpus callosum tract and the right internal capsule tract in a clinical study of neurodevelopment in new born infants. PMID:22732565
Assessment of a Molecular Diffusion Model in MELCOR
Chang OH; Richard Moore
2005-06-01
The MELCOR (version 1.8.5) [1] computer code with INEEL revisions is being improved for the analysis of very high temperature gas-cooled reactors [2]. Following a loss-of-coolant accident, flow through the reactor vessel may initially stagnate due to a non-uniform concentration of helium and air. However, molecular diffusion will eventually result in a uniform concentration of air and helium. The differences in fluid temperatures within the reactor vessel will then result in the establishment of a natural circulation flow that can supply significant amounts of air to the reactor core. The heat released by the resulting oxidation of graphite in the reactor core has the potential to increase the peak fuel temperature. In order to analyze the effects of oxidation on the response of the reactor during accidents, a molecular diffusion model was added to MELCOR. The model is based on Fick's Second Law for spatially uniform pressure and temperature. This paper describes equimolal counter diffusion experiments in a two bulb diffusion cell and the results of the assessment calculations.
Characterization and modeling of thermal diffusion and aggregation in nanofluids.
Gharagozloo, Patricia E.; Goodson, Kenneth E.
2010-05-01
Fluids with higher thermal conductivities are sought for fluidic cooling systems in applications including microprocessors and high-power lasers. By adding high thermal conductivity nanoscale metal and metal oxide particles to a fluid the thermal conductivity of the fluid is enhanced. While particle aggregates play a central role in recent models for the thermal conductivity of nanofluids, the effect of particle diffusion in a temperature field on the aggregation and transport has yet to be studied in depth. The present work separates the effects of particle aggregation and diffusion using parallel plate experiments, infrared microscopy, light scattering, Monte Carlo simulations, and rate equations for particle and heat transport in a well dispersed nanofluid. Experimental data show non-uniform temporal increases in thermal conductivity above effective medium theory and can be well described through simulation of the combination of particle aggregation and diffusion. The simulation shows large concentration distributions due to thermal diffusion causing variations in aggregation, thermal conductivity and viscosity. Static light scattering shows aggregates form more quickly at higher concentrations and temperatures, which explains the increased enhancement with temperature reported by other research groups. The permanent aggregates in the nanofluid are found to have a fractal dimension of 2.4 and the aggregate formations that grow over time are found to have a fractal dimension of 1.8, which is consistent with diffusion limited aggregation. Calculations show as aggregates grow the viscosity increases at a faster rate than thermal conductivity making the highly aggregated nanofluids unfavorable, especially at the low fractal dimension of 1.8. An optimum nanoparticle diameter for these particular fluid properties is calculated to be 130 nm to optimize the fluid stability by reducing settling, thermal diffusion and aggregation.
A diffusive model for halo width growth during vertical displacement events
NASA Astrophysics Data System (ADS)
Eidietis, N. W.; Humphreys, D. A.
2011-07-01
The electromagnetic loads produced by halo currents during vertical displacement events (VDEs) impose stringent requirements on the strength of ITER in-vessel components. A predictive understanding of halo current evolution is essential for ensuring the robust design of these components. A significant factor determining that evolution is the plasma resistance, which is a function of three quantities: the resistivities of the core and halo regions, and the halo region width. A diffusive model of halo width growth during VDEs has been developed, which provides one part of a physics basis for predictive halo current simulations. The diffusive model was motivated by DIII-D observations that VDEs with cold post-thermal quench plasma and a current decay time much faster than the vertical motion (type I VDE) possess much wider halo region widths than warmer plasma VDEs, where the current decay is much slower than the vertical motion (type II). A 2D finite element code is used to model the diffusion of toroidal halo current during selected type I and type II DIII-D VDEs. The model assumes a core plasma region within the last closed flux surface (LCFS) diffusing current into a halo plasma filling the vessel outside the LCFS. LCFS motion and plasma temperature are prescribed from experimental observations. The halo width evolution produced by this model compares favourably with experimental measurements of type I and type II toroidal halo current width evolution.
Majda, Andrew J; Gershgorin, Boris
2013-01-13
This paper motivates, develops and reviews elementary models for turbulent tracers with a background mean gradient which, despite their simplicity, have complex statistical features mimicking crucial aspects of laboratory experiments and atmospheric observations. These statistical features include exact formulas for tracer eddy diffusivity which is non-local in space and time, exact formulas and simple numerics for the tracer variance spectrum in a statistical steady state, and the transition to intermittent scalar probability density functions with fat exponential tails as certain variances of the advecting mean velocity are increased while satisfying important physical constraints. The recent use of such simple models with complex statistics as unambiguous test models for central contemporary issues in both climate change science and the real-time filtering of turbulent tracers from sparse noisy observations is highlighted throughout the paper.
Performance of turbulence models for transonic flows in a diffuser
NASA Astrophysics Data System (ADS)
Liu, Yangwei; Wu, Jianuo; Lu, Lipeng
2016-09-01
Eight turbulence models frequently used in aerodynamics have been employed in the detailed numerical investigations for transonic flows in the Sajben diffuser, to assess the predictive capabilities of the turbulence models for shock wave/turbulent boundary layer interactions (SWTBLI) in internal flows. The eight turbulence models include: the Spalart-Allmaras model, the standard k - 𝜀 model, the RNG k - 𝜀 model, the realizable k - 𝜀 model, the standard k - ω model, the SST k - ω model, the v2¯ - f model and the Reynolds stress model. The performance of the different turbulence models adopted has been systematically assessed by comparing the numerical results with the available experimental data. The comparisons show that the predictive performance becomes worse as the shock wave becomes stronger. The v2¯ - f model and the SST k - ω model perform much better than other models, and the SST k - ω model predicts a little better than the v2¯ - f model for pressure on walls and velocity profile, whereas the v2¯ - f model predicts a little better than the SST k - ω model for separation location, reattachment location and separation length for strong shock case.
Water diffusion in bicelles and the mixed bicelle model.
Soong, Ronald; Macdonald, Peter M
2009-01-06
To test a prediction of the mixed bicelle model, stimulated echo (STE) pulsed field gradient (PFG) (1)H nuclear magnetic resonance (NMR) measurements of water diffusion between and across bicellar lamellae were performed in positively and negatively magnetically aligned bicelles, composed of mixtures of DHPC (1,2-dihexanoyl-sn-glycero-3-phosphocholine) and DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine), as a function of temperature and of the proportion of added short-chain lipid DHPC. (31)P NMR spectra obtained for each situation confirmed that the DHPC undergoes fast exchange between curved and planar regions as per the mixed bicelle model and permitted an estimate of the proportion of the two DHPC populations. Water diffusion across the bicellar lamellae was shown to scale directly with q*, the fraction of edge versus planar phospholipid, rather than simply the ratio q, the global fraction of long-chain to short-chain phospholipid. Geometric modeling of the dependence of water diffusion on q* suggested an upper limit of 400 A for the size of DHPC-rich toroidal perforations within the bicelle lamellae. These findings constitute an independent confirmation of the mixed bicelle model in which DHPC is not confined to edge regions but enjoys, instead, a finite miscibility with DMPC.
Most current electrostatic surface complexation models describing ionic binding at the particle/water interface rely on the use of Poisson - Boltzmann (PB) theory for relating diffuse layer charge densities to diffuse layer electrostatic potentials. PB theory is known to contain ...
Most current electrostatic surface complexation models describing ionic binding at the particle/water interface rely on the use of Poisson - Boltzmann (PB) theory for relating diffuse layer charge densities to diffuse layer electrostatic potentials. PB theory is known to contain ...
Modeling of diffuse-diffuse photon coupling via a nonscattering region: a comparative study.
Lee, Jae Hoon; Kim, Seunghwan; Kim, Youn Tae
2004-06-20
It is well established that diffusion approximation is valid for light propagation in highly scattering media, but it breaks down in nonscattering regions. The previous methods that manipulate nonscattering regions are essentially boundary-to-boundary coupling (BBC) methods through a nonscattering void region based on the radiosity theory. We present a boundary-to-interior coupling (BIC) method. BIC is based on the fact that the collimated pencil beam incident on the medium can be replaced by an isotropic point source positioned at one reduced scattering length inside the medium from an illuminated point. A similar replacement is possible for the nondiffuse lights that enter the diffuse medium through the void, and it is formulated as the BIC method. We implemented both coupling methods using the finite element method (FEM) and tested for the circle with a void gap and for a four-layer adult head model. For mean time of flight, the BIC shows better agreement with Monte Carlo (MC) simulation results than BBC. For intensity, BIC shows a comparable match with MC data compared with that of BBC. The effect of absorption of the clear layer in the adult head model was investigated. Both mean time and intensity decrease as absorption of the clear layer increases.
Thermomechanics of damageable materials under diffusion: modelling and analysis
NASA Astrophysics Data System (ADS)
Roubíček, Tomáš; Tomassetti, Giuseppe
2015-12-01
We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat generation/consumption/transfer is considered. Damage is modelled as rate-independent. The applications include metal-hydrogen systems with metal/hydride phase transformation, poroelastic rocks, structural and ferro/para-magnetic phase transformation, water and heat transport in concrete, and if diffusion is neglected, plasticity with damage and viscoelasticity, etc. For the ensuing system of partial differential equations and inclusions, we prove existence of solutions by a carefully devised semi-implicit approximation scheme of the fractional-step type.
Social influence and perceptual decision making: a diffusion model analysis.
Germar, Markus; Schlemmer, Alexander; Krug, Kristine; Voss, Andreas; Mojzisch, Andreas
2014-02-01
Classic studies on social influence used simple perceptual decision-making tasks to examine how the opinions of others change individuals' judgments. Since then, one of the most fundamental questions in social psychology has been whether social influence can alter basic perceptual processes. To address this issue, we used a diffusion model analysis. Diffusion models provide a stochastic approach for separating the cognitive processes underlying speeded binary decisions. Following this approach, our study is the first to disentangle whether social influence on decision making is due to altering the uptake of available sensory information or due to shifting the decision criteria. In two experiments, we found consistent evidence for the idea that social influence alters the uptake of available sensory evidence. By contrast, participants did not adjust their decision criteria.
Experimental exploration of diffusion panel labyrinth in scale model
NASA Astrophysics Data System (ADS)
Vance, Mandi M.
Small rehearsal and performance venues often lack the rich reverberation found in larger spaces. Higini Arau-Puchades has designed and implemented a system of diffusion panels in the Orchestra Rehearsal Room at the Great Theatre Liceu and the Tonhalle St. Gallen that lengthen the reverberation time. These panels defy traditional room acoustics theory which holds that adding material to a room will shorten the reverberation time. This work explores several versions of Arau-Puchades' panels and room characteristics in scale model. Reverberation times are taken from room impulse response measurements in order to better understand the unusual phenomenon. Scale modeling enables many tests but has limitations in its accuracy due to the higher frequency range involved. Further investigations are necessary to establish how the sound energy interacts with the diffusion panels and confirm their validity in a range of applications.
Consistent flamelet modeling of differential molecular diffusion for turbulent non-premixed flames
NASA Astrophysics Data System (ADS)
Wang, Haifeng
2016-03-01
Treating differential molecular diffusion correctly and accurately remains as a great challenge to the modeling of turbulent non-premixed combustion. The aim of this paper is to develop consistent modeling strategies for differential molecular diffusion in flamelet models. Two types of differential molecular diffusion models are introduced, linear differential diffusion models and nonlinear differential diffusion models. A multi-component turbulent mixing layer problem is analyzed in detail to gain insights into differential molecular diffusion and its characteristics, particularly the dependence of differential molecular diffusion on the Reynolds number and the Lewis number. These characteristics are then used to validate the differential molecular diffusion models. Finally, the new models are applied to the modeling of a series of laboratory-scale turbulent non-premixed jet flames with different Reynolds number (Sandia Flames B, C, and D) to further assess the models' performance.
Attempt to model laboratory-scale diffusion and retardation data.
Hölttä, P; Siitari-Kauppi, M; Hakanen, M; Tukiainen, V
2001-02-01
Different approaches for measuring the interaction between radionuclides and rock matrix are needed to test the compatibility of experimental retardation parameters and transport models used in assessing the safety of the underground repositories for the spent nuclear fuel. In this work, the retardation of sodium, calcium and strontium was studied on mica gneiss, unaltered, moderately altered and strongly altered tonalite using dynamic fracture column method. In-diffusion of calcium into rock cubes was determined to predict retardation in columns. In-diffusion of calcium into moderately and strongly altered tonalite was interpreted using a numerical code FTRANS. The code was able to interprete in-diffusion of weakly sorbing calcium into the saturated porous matrix. Elution curves of calcium for the moderately and strongly altered tonalite fracture columns were explained adequately using FTRANS code and parameters obtained from in-diffusion calculations. In this paper, mass distribution ratio values of sodium, calcium and strontium for intact rock are compared to values, previously obtained for crushed rock from batch and crushed rock column experiments. Kd values obtained from fracture column experiments were one order of magnitude lower than Kd values from batch experiments.
Reaction-diffusion processes and metapopulation models on duplex networks
NASA Astrophysics Data System (ADS)
Xuan, Qi; Du, Fang; Yu, Li; Chen, Guanrong
2013-03-01
Reaction-diffusion processes, used to model various spatially distributed dynamics such as epidemics, have been studied mostly on regular lattices or complex networks with simplex links that are identical and invariant in transferring different kinds of particles. However, in many self-organized systems, different particles may have their own private channels to keep their purities. Such division of links often significantly influences the underlying reaction-diffusion dynamics and thus needs to be carefully investigated. This article studies a special reaction-diffusion process, named susceptible-infected-susceptible (SIS) dynamics, given by the reaction steps β→α and α+β→2β, on duplex networks where links are classified into two groups: α and β links used to transfer α and β particles, which, along with the corresponding nodes, consist of an α subnetwork and a β subnetwork, respectively. It is found that the critical point of particle density to sustain reaction activity is independent of the network topology if there is no correlation between the degree sequences of the two subnetworks, and this critical value is suppressed or extended if the two degree sequences are positively or negatively correlated, respectively. Based on the obtained results, it is predicted that epidemic spreading may be promoted on positive correlated traffic networks but may be suppressed on networks with modules composed of different types of diffusion links.
Modeling diffusive transport with a fractional derivative without singular kernel
NASA Astrophysics Data System (ADS)
Gómez-Aguilar, J. F.; López-López, M. G.; Alvarado-Martínez, V. M.; Reyes-Reyes, J.; Adam-Medina, M.
2016-04-01
In this paper we present an alternative representation of the diffusion equation and the diffusion-advection equation using the fractional calculus approach, the spatial-time derivatives are approximated using the fractional definition recently introduced by Caputo and Fabrizio in the range β , γ ∈(0 ; 2 ] for the space and time domain respectively. In this representation two auxiliary parameters σx and σt are introduced, these parameters related to equation results in a fractal space-time geometry provide an entire new family of solutions for the diffusion processes. The numerical results showed different behaviors when compared with classical model solutions. In the range β , γ ∈(0 ; 1) , the concentration exhibits the non-Markovian Lévy flights and the subdiffusion phenomena; when β = γ = 1 the classical case is recovered; when β , γ ∈(1 ; 2 ] the concentration exhibits the Markovian Lévy flights and the superdiffusion phenomena; finally when β = γ = 2 the concentration is anomalous dispersive and we found ballistic diffusion.
Modelling of diffusion and conductivity relaxation of oxide ceramics
NASA Astrophysics Data System (ADS)
Preis, Wolfgang
2016-12-01
A two-dimensional square grain model has been applied to simulate simultaneously the diffusion process and relaxation of the dc conduction of polycrystalline oxide materials due to a sudden change of the oxygen partial pressure of the surrounding gas phase. The numerical calculations are performed by employing the finite element approach. The grains are squares of equal side length (average grain size) and the grain boundaries may consist of thin slabs of uniform thickness. An additional (space charge) layer adjacent to the grain boundary cores (thin slabs) either blocking (depletion layer) or highly conductive for electronic charge carriers may surround the grains. The electronic transport number of the mixed ionic-electronic conducting oxide ceramics may be close to unity (predominant electronic conduction). If the chemical diffusion coefficient of the neutral mobile component (oxygen) of the grain boundary core regions is assumed to be higher by many orders of magnitude than that in the bulk, the simulated relaxation curves for mass transport (diffusion) and dc conduction can deviate remarkably from each other. Deviations between the relaxation of mass transport and dc conduction are found in the case of considerably different electronic conductivities of grain boundary core regions, space charge layers, and bulk. On the contrary, the relaxation curves of mass transport and electronic conductivity are in perfect coincidence, when either effective medium diffusion occurs or the effective conductivity is unaffected by the individual conductivities of core regions and possible space charge layers, i.e. the grain boundary resistivity is negligible.
Forecasting Diffusion of Technology by using Bass Model
NASA Astrophysics Data System (ADS)
Kim, Do-Hoi; Shin, Young-Geun; Park, Sang-Sung; Jang, Dong-Sik
2009-08-01
Generally, researching method of technology forecasting has been depended on intuition of expert until now. So there were many defects like consuming much time and money and so on. In this paper, we forecast diffusion of technology by using Bass model that is one of the quantitative analysis methods. We applied this model at technology market. And for input data of experiment, we use patent data that is representing each technology in technology market. We expect this research will be suggest new possibility that patent data can be applied in Bass model.
Reactive radical facilitated reaction-diffusion modeling for holographic photopolymerization
Liu Jianhua; Pu Haihui; Gao Bin; Gao Hongyue; Yin Dejin; Dai Haitao
2010-02-08
A phenomenological concentration of reactive radical is proposed to take the role of curing light intensity in explicit proportion to the reaction rate for the conventional reaction-diffusion model. This revision rationally eliminates the theoretical defect of null reaction rate in modeling of the postcuring process, and facilitates the applicability of the model in the whole process of holographic photopolymerizations in photocurable monomer and nematic liquid crystal blend system. Excellent consistencies are obtained in both curing and postcuring processes between simulated and experimentally measured evolutions of the first order diffraction efficiency of the formed composite Bragg gratings.
Modeling of Diffusion in Liquid Ge and Its Alloys
NASA Technical Reports Server (NTRS)
Stroud, David G.
1998-01-01
This report summarizes progress made on NASA Grant NAG3-1437, Modeling of diffusion in Liquid Ge and Its Alloys, which was in effect from January 15, 1993 through July 10, 1997. It briefly describes the purpose of the grant, and the work accomplished in simulations and other studies of thermophysical properties of liquid semiconductors and related materials. A list of publications completed with the support of the grant is also given.
Beaudette, Pc; Salon, C; Emery, Rjn
2007-09-01
Despite abundant evidence that water transfer from soil to xylem occurs along a pathway regulated by aquaporins (AQPs) water entry is still modeled using principles of ordinary passive diffusion. Problems with this model have been known for some time and include variable intrinsic properties of conductivity Lp, changing reflection coefficients, sigma, and an inability to accurately resolve osmotic differentials between the soil and xylem. Here we propose a model of water entry based on principles of facilitated passive diffusion and following Michaelis-Menten formalism. If one accepts that water entry is controlled, at least in part, by AQPs, then a model of ordinary passive diffusion is precluded, as it does not allow for facilitation kinetics. By contrast, recognition of facilitated water entry through protein channels could explain shortcomings of ordinary passive diffusion, such as diurnal variability in conductivity which we have recently shown is directly correlated to diurnal changes in PsPIP2-1 mRNA levels in Pisum sativum.
An epidemic model of rumor diffusion in online social networks
NASA Astrophysics Data System (ADS)
Cheng, Jun-Jun; Liu, Yun; Shen, Bo; Yuan, Wei-Guo
2013-01-01
So far, in some standard rumor spreading models, the transition probability from ignorants to spreaders is always treated as a constant. However, from a practical perspective, the case that individual whether or not be infected by the neighbor spreader greatly depends on the trustiness of ties between them. In order to solve this problem, we introduce a stochastic epidemic model of the rumor diffusion, in which the infectious probability is defined as a function of the strength of ties. Moreover, we investigate numerically the behavior of the model on a real scale-free social site with the exponent γ = 2.2. We verify that the strength of ties plays a critical role in the rumor diffusion process. Specially, selecting weak ties preferentially cannot make rumor spread faster and wider, but the efficiency of diffusion will be greatly affected after removing them. Another significant finding is that the maximum number of spreaders max( S) is very sensitive to the immune probability μ and the decay probability v. We show that a smaller μ or v leads to a larger spreading of the rumor, and their relationships can be described as the function ln(max( S)) = Av + B, in which the intercept B and the slope A can be fitted perfectly as power-law functions of μ. Our findings may offer some useful insights, helping guide the application in practice and reduce the damage brought by the rumor.
THE LOS ALAMOS NATIONAL LABORATORY ATMOSPHERIC TRANSPORT AND DIFFUSION MODELS
M. WILLIAMS
1999-08-01
The LANL atmospheric transport and diffusion models are composed of two state-of-the-art computer codes. The first is an atmospheric wind model called HOThlAC, Higher Order Turbulence Model for Atmospheric circulations. HOTMAC generates wind and turbulence fields by solving a set of atmospheric dynamic equations. The second is an atmospheric diffusion model called RAPTAD, Random Particle Transport And Diffusion. RAPTAD uses the wind and turbulence output from HOTMAC to compute particle trajectories and concentration at any location downwind from a source. Both of these models, originally developed as research codes on supercomputers, have been modified to run on microcomputers. Because the capability of microcomputers is advancing so rapidly, the expectation is that they will eventually become as good as today's supercomputers. Now both models are run on desktop or deskside computers, such as an IBM PC/AT with an Opus Pm 350-32 bit coprocessor board and a SUN workstation. Codes have also been modified so that high level graphics, NCAR Graphics, of the output from both models are displayed on the desktop computer monitors and plotted on a laser printer. Two programs, HOTPLT and RAPLOT, produce wind vector plots of the output from HOTMAC and particle trajectory plots of the output from RAPTAD, respectively. A third CONPLT provides concentration contour plots. Section II describes step-by-step operational procedures, specifically for a SUN-4 desk side computer, on how to run main programs HOTMAC and RAPTAD, and graphics programs to display the results. Governing equations, boundary conditions and initial values of HOTMAC and RAPTAD are discussed in Section III. Finite-difference representations of the governing equations, numerical solution procedures, and a grid system are given in Section IV.
NASA Astrophysics Data System (ADS)
Uematsu, Masashi
1997-09-01
Boron (B), phosphorus (P), and arsenic (As) in-diffusion profiles were simulated based on an integrated diffusion model that takes into account the vacancy mechanism, the kick-out mechanism and the Frank-Turnbull mechanism. The simulations were done using just three parameters for B and P, and four parameters for As, each of which has a clear physical meaning and a physically reasonable value, with no additional ad hoc hypothesis. These parameters correspond to the diffusion of dopant species and of point defects that contribute to dopant diffusion. For the anomalous P diffusion profile, the vacancy mechanism governs the diffusion in the plateau region, while the kick-out mechanism governs it in the deeper region, where self-interstitials dominate in the kink region and P interstitials dominate in the tail region. This changeover from the vacancy contribution to the kick-out contribution is shown to be the mechanism for the appearance of the kink-and-tail profiles of P. Moreover, the comparison among B, P, and As diffusion is made to review the diffusion of these three dopants by means of a unified model.
NASA Astrophysics Data System (ADS)
Ochs, Michael; Lothenbach, Barbara; Wanner, Hans; Sato, Haruo; Yui, Mikazu
2001-02-01
A thermodynamic sorption model and a diffusion model based on electric double layer (EDL) theory are integrated to yield a surface chemical model that treats porewater chemistry, surface reactions, and the influence of charged pore walls on diffusing ions in a consistent fashion. The relative contribution of Stern and diffuse layer to the compensation of the permanent surface charge represents a key parameter; it is optimized for the diffusion of Cs in Kunipia-F bentonite, at a dry density of 400 kg/m 3. The model is then directly used to predict apparent diffusivities ( Da) of Cs, Sr, Cl -, I - and TcO 4- and corresponding distribution coefficients ( Kd) of Cs and Sr in different bentonites as a function of dry density, without any further adjustment of surface chemical and EDL parameters. Effective diffusivities ( De) for Cs, HTO, and TcO 4- are also calculated. All calculated values ( Da, De, Kd) are fully consistent with each other. A comparison with published, measured data shows that the present model allows a good prediction and consistent explanation of (i) apparent and effective diffusivities for cations, anions, and neutral species in compacted bentonite, and of (ii) Kd values in batch and compacted systems.
Jun, K S; Kang, J W; Lee, K S
2007-01-01
Diffuse pollution sources along a stream reach are very difficult to both monitor and estimate. In this paper, a systematic method using an optimal estimation algorithm is presented for simultaneous estimation of diffuse pollution and model parameters in a stream water quality model. It was applied with the QUAL2E model to the South Han River in South Korea for optimal estimation of kinetic constants and diffuse loads along the river. Initial calibration results for kinetic constants selected from a sensitivity analysis reveal that diffuse source inputs for nitrogen and phosphorus are essential to satisfy the system mass balance. Diffuse loads for total nitrogen and total phosphorus were estimated by solving the expanded inverse problem. Comparison of kinetic constants estimated simultaneously with diffuse sources to those estimated without diffuse loads, suggests that diffuse sources must be included in the optimization not only for its own estimation but also for adequate estimation of the model parameters. Application of the optimization method to river water quality modeling is discussed in terms of the sensitivity coefficient matrix structure.
Boussinesq modeling of HB06 tracer releases Part 2: Tracer plumes
NASA Astrophysics Data System (ADS)
Clark, D. B.; Feddersen, F.; Guza, R. T.
2010-12-01
Tracer plumes simulated with a Boussinesq surfzone model (funwaveC) are compared with 5 plumes observed during the HB06 experiment (Huntington Beach, Fall 2006). Surfzone tracer plumes were formed by continuously releasing dye tracer into the wave-driven alongshore current. Bulk cross-shore eddy diffusivities, O(1 m2 s-1), were estimated from the observed plumes and agreed best with a mixing-length scaling based on large 2D eddies [Clark et al., JGR, in press 2010]. The mechanisms for surfzone cross-shore tracer dispersion are not well known, and are explored here with the time-dependent, wave and horizontal eddy resolving, funwaveC model. The funwaveC model is run with observed bathymetry, and initialized in 4m depth with the observed obliquely incident and directionally spread waves. Modeled and observed waves and currents are similar, and discussed in Part 1. Model tracer is dispersed by the surfzone horizontal eddy field, a breaking wave eddy diffusivity, and a small O(0.01 m2 s-1) background diffusivity. Modeled and observed mean plume structures agree, but can be degraded by a mismatch between observed and modeled alongshore currents, especially near the tracer source. Bulk tracer eddy diffusivities agree with HB06 observations, and the long narrow plume assumption (used for diffusion analysis) is discussed with modeled tracer fluxes. The model suggests that cross-shore mixing at time scales of many wave periods is dominated by horizontal eddies, not by the breaking eddy diffusivity.
NASA Astrophysics Data System (ADS)
Dohmen, Ralf; Chakraborty, Sumit
2007-08-01
Analysis of existing data and models on point defects in pure (Fe,Mg)-olivine (Phys Chem Miner 10:27 37,1983; Phys Chem Miner 29:680 694, 2002) shows that it is necessary to consider thermodynamic non-ideality of mixing to adequately describe the concentration of point defects over the range of measurement. In spite of different sources of uncertainties, the concentrations of vacancies in octahedral sites in (Fe,Mg)-olivine are on the order of 10-4 per atomic formula unit at 1,000 1,200 °C according to both the studies. We provide the first explicit plots of vacancy concentrations in olivine as a function of temperature and oxygen fugacity according to the two models. It is found that in contrast to absolute concentrations at ˜1,100 °C and dependence on fO2, there is considerable uncertainty in our knowledge of temperature dependence of vacancy concentrations. This needs to be considered in discussing the transport properties such as diffusion coefficients. Moreover, these defect models in pure (Fe,Mg)-olivine need to be extended by considering aliovalent impurities such as Al, Cr to describe the behavior of natural olivine. We have developed such a formulation, and used it to analyze the considerable database of diffusion coefficients in olivine from Dohmen et al. (Phys Chem Miner this volume, 2007) (Part - I) and older data in the literature. The analysis documents unequivocally for the first time a change of diffusion mechanism in a silicate mineral—from the transition metal extrinsic (TaMED) to the purely extrinsic (PED) domain, at fO2 below 10-10 Pa, and consequently, temperatures below 900 °C. The change of diffusion mechanism manifests itself in a change in fO2 dependence of diffusivity and a slight change in activation energy of diffusion—the activation energy increases at lower temperatures. These are consistent with the predictions of Chakraborty (J Geophys Res 102(B6):12317 12331, 1997). Defect formation enthalpies in the TaMED regime (distinct
Stochastic Functional Data Analysis: A Diffusion Model-based Approach
Zhu, Bin; Song, Peter X.-K.; Taylor, Jeremy M.G.
2011-01-01
Summary This paper presents a new modeling strategy in functional data analysis. We consider the problem of estimating an unknown smooth function given functional data with noise. The unknown function is treated as the realization of a stochastic process, which is incorporated into a diffusion model. The method of smoothing spline estimation is connected to a special case of this approach. The resulting models offer great flexibility to capture the dynamic features of functional data, and allow straightforward and meaningful interpretation. The likelihood of the models is derived with Euler approximation and data augmentation. A unified Bayesian inference method is carried out via a Markov Chain Monte Carlo algorithm including a simulation smoother. The proposed models and methods are illustrated on some prostate specific antigen data, where we also show how the models can be used for forecasting. PMID:21418053
A Temporal Model of Technology Diffusion into Small Firms in Wales.
ERIC Educational Resources Information Center
Thomas, Brychan; Packham, Gary; Miller, Chris
2001-01-01
Discusses technology diffusion through formal and informal networks. Develops a model that includes channels and mechanisms involved in transferring technology into innovative small businesses. The model depicts influences that increase or slow the rate of diffusion. (SK)
A Temporal Model of Technology Diffusion into Small Firms in Wales.
ERIC Educational Resources Information Center
Thomas, Brychan; Packham, Gary; Miller, Chris
2001-01-01
Discusses technology diffusion through formal and informal networks. Develops a model that includes channels and mechanisms involved in transferring technology into innovative small businesses. The model depicts influences that increase or slow the rate of diffusion. (SK)
Diffusion model to describe osteogenesis within a porous titanium scaffold.
Schmitt, M; Allena, R; Schouman, T; Frasca, S; Collombet, J M; Holy, X; Rouch, P
2016-01-01
In this study, we develop a two-dimensional finite element model, which is derived from an animal experiment and allows simulating osteogenesis within a porous titanium scaffold implanted in ewe's hemi-mandible during 12 weeks. The cell activity is described through diffusion equations and regulated by the stress state of the structure. We compare our model to (i) histological observations and (ii) experimental data obtained from a mechanical test done on sacrificed animal. We show that our mechano-biological approach provides consistent numerical results and constitutes a useful tool to predict osteogenesis pattern.
Estimation of kinetic model parameters in fluorescence optical diffusion tomography.
Milstein, Adam B; Webb, Kevin J; Bouman, Charles A
2005-07-01
We present a technique for reconstructing the spatially dependent dynamics of a fluorescent contrast agent in turbid media. The dynamic behavior is described by linear and nonlinear parameters of a compartmental model or some other model with a deterministic functional form. The method extends our previous work in fluorescence optical diffusion tomography by parametrically reconstructing the time-dependent fluorescent yield. The reconstruction uses a Bayesian framework and parametric iterative coordinate descent optimization, which is closely related to Gauss-Seidel methods. We demonstrate the method with a simulation study.
Influence Diffusion Model in Text-Based Communication
NASA Astrophysics Data System (ADS)
Matsumura, Naohiro; Ohsawa, Yukio; Ishizuka, Mitsuru
Business people, especially marketing researchers, are keen to understand peoples' potential sense of value to create fascinating topics stimulating peoples' interest. In this paper, we aim at finding influential people, comments, and terms contributing the discovery of such topics. For this purpose, we propose an Influence Diffusion Model in text-based communication, where the influence of people, comments, and terms are defined as the degree of text-based relevance of messages. We apply this model to Bulletin Board Service(BBS) on the Internet, and present our discoveries on experimental evaluations.
Charge diffusion in the one-dimensional Hubbard model
NASA Astrophysics Data System (ADS)
Steinigeweg, R.; Jin, F.; De Raedt, H.; Michielsen, K.; Gemmer, J.
2017-08-01
We study the real-time and real-space dynamics of charge in the one-dimensional Hubbard model in the limit of high temperatures. To this end, we prepare pure initial states with sharply peaked density profiles and calculate the time evolution of these nonequilibrium states, by using numerical forward-propagation approaches to chains as long as 20 sites. For a class of typical states, we find excellent agreement with linear-response theory and unveil the existence of remarkably clean charge diffusion in the regime of strong particle-particle interactions. We additionally demonstrate that, in the half-filling sector, this diffusive behavior does not depend on certain details of our initial conditions, i.e., it occurs for five different realizations with random and nonrandom internal degrees of freedom, single and double occupation of the central site, and displacement of spin-up and spin-down particles.
Time Fractional Diffusion Equations and Analytical Solvable Models
NASA Astrophysics Data System (ADS)
Bakalis, Evangelos; Zerbetto, Francesco
2016-08-01
The anomalous diffusion of a particle that moves in complex environments is analytically studied by means of the time fractional diffusion equation. The influence on the dynamics of a random moving particle caused by a uniform external field is taken into account. We extract analytical solutions in terms either of the Mittag-Leffler functions or of the M- Wright function for the probability distribution, for the velocity autocorrelation function as well as for the mean and the mean square displacement. Discussion of the applicability of the model to real systems is made in order to provide new insight of the medium from the analysis of the motion of a particle embedded in it.
Affinity based information diffusion model in social networks
NASA Astrophysics Data System (ADS)
Liu, Hongli; Xie, Yun; Hu, Haibo; Chen, Zhigao
2014-12-01
There is a widespread intuitive sense that people prefer participating in spreading the information in which they are interested. The affinity of people with information disseminated can affect the information propagation in social networks. In this paper, we propose an information diffusion model incorporating the mechanism of affinity of people with information which considers the fitness of affinity values of people with affinity threshold of the information. We find that the final size of information diffusion is affected by affinity threshold of the information, average degree of the network and the probability of people's losing their interest in the information. We also explore the effects of other factors on information spreading by numerical simulations and find that the probabilities of people's questioning and confirming the information can affect the propagation speed, but not the final scope.
Analysis on a diffusive SIS epidemic model with logistic source
NASA Astrophysics Data System (ADS)
Li, Bo; Li, Huicong; Tong, Yachun
2017-08-01
In this paper, we are concerned with an SIS epidemic reaction-diffusion model with logistic source in spatially heterogeneous environment. We first discuss some basic properties of the parabolic system, including the uniform upper bound of solutions and global stability of the endemic equilibrium when spatial environment is homogeneous. Our primary focus is to determine the asymptotic profile of endemic equilibria (when exist) if the diffusion (migration) rate of the susceptible or infected population is small or large. Combined with the results of Li et al. (J Differ Equ 262:885-913, 2017) where the case of linear source is studied, our analysis suggests that varying total population enhances persistence of infectious disease.
Pieruschka, Roland; Schurr, Ulrich; Jensen, Manfred; Wolff, Wilfried F; Jahnke, Siegfried
2006-01-01
Gas exchange is generally regarded to occur between the leaf interior and ambient air, i.e. in vertical (anticlinal) directions of leaf blades. However, inside homobaric leaves, gas movement occurs also in lateral directions. The aim of the present study was to ascertain whether lateral CO2 diffusion affects leaf photosynthesis when illuminated leaves are partially shaded. Measurements using gas exchange and chlorophyll fluorescence imaging techniques were performed on homobaric leaves of Vicia faba and Nicotiana tabacum or on heterobaric leaves of Glycine max and Phaseolus vulgaris. For homobaric leaves, gas exchange inside a clamp-on leaf chamber was affected by shading the leaf outside the chamber. The quantum yield of photosystem II (Phi(PSII)) was highest directly adjacent to a light/shade border (LSB). Phi(PSII) decreased in the illuminated leaf parts with distance from the LSB, while the opposite was observed for nonphotochemical quenching. These effects became most pronounced at low stomatal conductance. They were not observed in heterobaric leaves. The results suggest that plants with homobaric leaves can benefit from lateral CO2 flux, in particular when stomata are closed (e.g. under drought stress). This may enhance photosynthetic, instead of nonphotochemical, processes near LSBs in such leaves and reduce the photoinhibitory effects of excess light.
Diffusive Models of Membrane Permeation with Explicit Orientational Freedom.
Comer, Jeffrey; Schulten, Klaus; Chipot, Christophe
2014-07-08
Accurate calculation of permeabilities from first-principles has been a long-standing challenge for computer simulations, notably in the context of drug discovery, as a route to predict the propensity of small, organic molecules to spontaneously translocate biological membranes. Of equal importance is the understanding of the permeation process and the pathway followed by the permeant from the aqueous medium to the interior of the lipid bilayer, and back out again. A convenient framework for the computation of permeabilities is provided by the solubility-diffusion model, which requires knowledge of the underlying free-energy and diffusivity landscapes. Here, we develop a formalism that includes an explicit description of the orientational motion of the solute as it diffuses across the membrane. Toward this end, we have generalized a recently proposed method that reconciles thermodynamics and kinetics in importance-sampling simulations by means of a Bayesian-inference scheme to reverse-solve the underlying Smoluchowski equation. Performance of the proposed formalism is examined in the model cases of a water and an ethanol molecule crossing a fully hydrated lipid bilayer. Our analysis reveals a conspicuous dependence of the free-energy and rotational diffusivity on the orientation of ethanol when it lies within the headgroup region of the bilayer. Specifically, orientations for which the hydroxyl group lies among the polar lipid head groups, while the ethyl group recedes toward the hydrophobic interior are associated with free-energy minima ∼2kBT deep, as well as significantly slower orientational kinetics compared to the bulk solution or the core of the bilayer. The conspicuous orientational anisotropy of ethanol at the aqueous interface is suggestive of a complete rotation of the permeant as it crosses the hydrophobic interior of the membrane.
A discrete model to study reaction-diffusion-mechanics systems.
Weise, Louis D; Nash, Martyn P; Panfilov, Alexander V
2011-01-01
This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.
A Discrete Model to Study Reaction-Diffusion-Mechanics Systems
Weise, Louis D.; Nash, Martyn P.; Panfilov, Alexander V.
2011-01-01
This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects. PMID:21804911
Marinak, M. )
1990-02-01
The problem of deducing {chi}{sub e} from measurements of the propagation of a monopole heatpulse is considered. An extended diffusive model, which takes into account perturbed sources and sinks is extended to the case of a monopole heat input. {chi}{sub e} is expressed as a function of two observables, the heat pulse velocity and the radial damping rate. Two simple expressions valid for two different ranges of the radius of the poloidal waist of the beam power profile are given. The expressions are valid in the heat pulse measurement region, extending radially 0.05a beyond the beam power waist to near 0.6a. The inferred {chi}{sub e} is a local value, not an average value of the radial {chi}{sub e} profile. 7 refs., 6 figs., 1 tab.
Diffusion models for innovation: s-curves, networks, power laws, catastrophes, and entropy.
Jacobsen, Joseph J; Guastello, Stephen J
2011-04-01
This article considers models for the diffusion of innovation would be most relevant to the dynamics of early 21st century technologies. The article presents an overview of diffusion models and examines the adoption S-curve, network theories, difference models, influence models, geographical models, a cusp catastrophe model, and self-organizing dynamics that emanate from principles of network configuration and principles of heat diffusion. The diffusion dynamics that are relevant to information technologies and energy-efficient technologies are compared. Finally, principles of nonlinear dynamics for innovation diffusion that could be used to rehabilitate the global economic situation are discussed.
A simple diffusion-reaction model for resid hydroprocessing catalysts
Adkins, B.D.; Limmer, K.R. )
1990-08-01
It is commonly accepted that the intraparticle diffusion characteristics of resid hydroprocessing catalysts can play an important role in determining their performance. It is also commonly accepted that diffusion characteristics are determined by properties of the catalyst which are at least partially reflected in measurements such as surface area and pore size. One approach to experimentally determine the appropriate region on the diffusion-reaction curve is to vary V{sub P}/S{sub P} for a fixed pore structure. One example (among many) of this approach is the paper of Gosselink and Stork in which the authors modeled the fixed-bed HDS performance of Shell 444 catalyst on heavy gasoil in crushed (particle diameter 0.2 mm) and uncrushed (1.5 mm) form. The method has the advantage of minimizing unaccountable differences in pore structures, but is susceptible to major variations in external mass and heat transfer. An alternative is to vary the pore structure widely while exploring only commercially meaningful variations in V{sub P}/S{sub P}. This is the approach used in the study.
Computational models for large-scale simulations of facilitated diffusion
Zabet, Nicolae Radu; Adryan, Boris
2014-01-01
The binding of site-specific transcription factors to their genomic target sites is a key step in gene regulation. While the genome is huge, transcription factors belong to the least abundant protein classes in the cell. It is therefore fascinating how short the time frame is that they require to home in on their target sites. The underlying search mechanism is called facilitated diffusion and assumes a combination of three-dimensional diffusion in the space around the DNA combined with one-dimensional random walk on it. In this review, we present the current understanding of the facilitated diffusion mechanism and identify questions that lack a clear or detailed answer. One way to investigate these questions is through stochastic simulation and, in this manuscript, we support the idea that such simulations are able to address them. Finally, we review which biological parameters need to be included in such computational models in order to obtain a detailed representation of the actual process. PMID:22892851
A Reaction-Diffusion Model of Cholinergic Retinal Waves
Lansdell, Benjamin; Ford, Kevin; Kutz, J. Nathan
2014-01-01
Prior to receiving visual stimuli, spontaneous, correlated activity in the retina, called retinal waves, drives activity-dependent developmental programs. Early-stage waves mediated by acetylcholine (ACh) manifest as slow, spreading bursts of action potentials. They are believed to be initiated by the spontaneous firing of Starburst Amacrine Cells (SACs), whose dense, recurrent connectivity then propagates this activity laterally. Their inter-wave interval and shifting wave boundaries are the result of the slow after-hyperpolarization of the SACs creating an evolving mosaic of recruitable and refractory cells, which can and cannot participate in waves, respectively. Recent evidence suggests that cholinergic waves may be modulated by the extracellular concentration of ACh. Here, we construct a simplified, biophysically consistent, reaction-diffusion model of cholinergic retinal waves capable of recapitulating wave dynamics observed in mice retina recordings. The dense, recurrent connectivity of SACs is modeled through local, excitatory coupling occurring via the volume release and diffusion of ACh. In addition to simulation, we are thus able to use non-linear wave theory to connect wave features to underlying physiological parameters, making the model useful in determining appropriate pharmacological manipulations to experimentally produce waves of a prescribed spatiotemporal character. The model is used to determine how ACh mediated connectivity may modulate wave activity, and how parameters such as the spontaneous activation rate and sAHP refractory period contribute to critical wave size variability. PMID:25474327
Bayesian Model Selection with Network Based Diffusion Analysis
Whalen, Andrew; Hoppitt, William J. E.
2016-01-01
A number of recent studies have used Network Based Diffusion Analysis (NBDA) to detect the role of social transmission in the spread of a novel behavior through a population. In this paper we present a unified framework for performing NBDA in a Bayesian setting, and demonstrate how the Watanabe Akaike Information Criteria (WAIC) can be used for model selection. We present a specific example of applying this method to Time to Acquisition Diffusion Analysis (TADA). To examine the robustness of this technique, we performed a large scale simulation study and found that NBDA using WAIC could recover the correct model of social transmission under a wide range of cases, including under the presence of random effects, individual level variables, and alternative models of social transmission. This work suggests that NBDA is an effective and widely applicable tool for uncovering whether social transmission underpins the spread of a novel behavior, and may still provide accurate results even when key model assumptions are relaxed. PMID:27092089
Billon, Alexis; Foy, Cédric; Picaut, Judicaël; Valeau, Vincent; Sakout, Anas
2008-06-01
In this paper, a modification of the diffusion model for room acoustics is proposed to account for sound transmission between two rooms, a source room and an adjacent room, which are coupled through a partition wall. A system of two diffusion equations, one for each room, together with a set of two boundary conditions, one for the partition wall and one for the other walls of a room, is obtained and numerically solved. The modified diffusion model is validated by numerical comparisons with the statistical theory for several coupled-room configurations by varying the coupling area surface, the absorption coefficient of each room, and the volume of the adjacent room. An experimental comparison is also carried out for two coupled classrooms. The modified diffusion model results agree very well with both the statistical theory and the experimental data. The diffusion model can then be used as an alternative to the statistical theory, especially when the statistical theory is not applicable, that is, when the reverberant sound field is not diffuse. Moreover, the diffusion model allows the prediction of the spatial distribution of sound energy within each coupled room, while the statistical theory gives only one sound level for each room.
Diffusive spatio-temporal noise in a first-passage time model for intracellular calcium release
NASA Astrophysics Data System (ADS)
Flegg, Mark B.; Rüdiger, Sten; Erban, Radek
2013-04-01
The intracellular release of calcium from the endoplasmic reticulum is controlled by ion channels. The resulting calcium signals exhibit a rich spatio-temporal signature, which originates at least partly from microscopic fluctuations. While stochasticity in the gating transition of ion channels has been incorporated into many models, the distribution of calcium is usually described by deterministic reaction-diffusion equations. Here we test the validity of the latter modeling approach by using two different models to calculate the frequency of localized calcium signals (calcium puffs) from clustered IP3 receptor channels. The complexity of the full calcium system is here limited to the basic opening mechanism of the ion channels and, in the mathematical reduction simplifies to the calculation of a first passage time. Two models are then studied: (i) a hybrid model, where channel gating is treated stochastically, while calcium concentration is deterministic and (ii) a fully stochastic model with noisy channel gating and Brownian calcium ion motion. The second model utilises the recently developed two-regime method [M. B. Flegg, S. J. Chapman, and R. Erban, "The two-regime method for optimizing stochastic reaction-diffusion simulations," J. R. Soc., Interface 9, 859-868 (2012)], 10.1098/rsif.2011.0574 in order to simulate a large domain with precision required only near the Ca2+ absorbing channels. The expected time for a first channel opening that results in a calcium puff event is calculated. It is found that for a large diffusion constant, predictions of the interpuff time are significantly overestimated using the model (i) with a deterministic non-spatial calcium variable. It is thus demonstrated that the presence of diffusive noise in local concentrations of intracellular Ca2+ ions can substantially influence the occurrence of calcium signals. The presented approach and results may also be relevant for other cell-physiological first-passage time problems with
Anomalous diffusion in neutral evolution of model proteins
NASA Astrophysics Data System (ADS)
Nelson, Erik D.; Grishin, Nick V.
2015-06-01
Protein evolution is frequently explored using minimalist polymer models, however, little attention has been given to the problem of structural drift, or diffusion. Here, we study neutral evolution of small protein motifs using an off-lattice heteropolymer model in which individual monomers interact as low-resolution amino acids. In contrast to most earlier models, both the length and folded structure of the polymers are permitted to change. To describe structural change, we compute the mean-square distance (MSD) between monomers in homologous folds separated by n neutral mutations. We find that structural change is episodic, and, averaged over lineages (for example, those extending from a single sequence), exhibits a power-law dependence on n . We show that this exponent depends on the alignment method used, and we analyze the distribution of waiting times between neutral mutations. The latter are more disperse than for models required to maintain a specific fold, but exhibit a similar power-law tail.
NASA Astrophysics Data System (ADS)
Wang, Wei; Ma, Wanbiao; Lai, Xiulan
2017-01-01
From a biological perspective, a diffusive virus infection dynamic model with nonlinear functional response, absorption effect and chemotaxis is proposed. In the model, the diffusion of virus consists of two parts, the random diffusion and the chemotactic movement. The chemotaxis flux of virus depends not only on their own density, but also on the density of infected cells, and the density gradient of infected cells. The well posedness of the proposed model is deeply investigated. For the proposed model, the linear stabilities of the infection-free steady state E0 and the infection steady state E* are extensively performed. We show that the threshold dynamics can be expressed by the basic reproduction number R0 of the model without chemotaxis. That is, the infection-free steady state E0 is globally asymptotically stable if R0 < 1, and the virus is uniformly persistent if R0 > 1. In addition, we use the cross iteration method and the Schauder's fixed point theorem to prove the existence of travelling wave solutions connecting the infection-free steady state E0 and the infection steady state E* by constructing a pair of upper-lower solutions. At last, numerical simulations are presented to confirm theoretical findings.
Hybrid diffusion and two-flux approximation for multilayered tissue light propagation modeling
NASA Astrophysics Data System (ADS)
Yudovsky, Dmitry; Durkin, Anthony J.
2011-07-01
Accurate and rapid estimation of fluence, reflectance, and absorbance in multilayered biological media has been essential in many biophotonics applications that aim to diagnose, cure, or model in vivo tissue. The radiative transfer equation (RTE) rigorously models light transfer in absorbing and scattering media. However, analytical solutions to the RTE are limited even in simple homogeneous or plane media. Monte Carlo simulation has been used extensively to solve the RTE. However, Monte Carlo simulation is computationally intensive and may not be practical for applications that demand real-time results. Instead, the diffusion approximation has been shown to provide accurate estimates of light transport in strongly scattering tissue. The diffusion approximation is a greatly simplified model and produces analytical solutions for the reflectance and absorbance in tissue. However, the diffusion approximation breaks down if tissue is strongly absorbing, which is common in the visible part of the spectrum or in applications that involve darkly pigmented skin and/or high local volumes of blood such as port-wine stain therapy or reconstructive flap monitoring. In these cases, a model of light transfer that can accommodate both strongly and weakly absorbing regimes is required. Here we present a model of light transfer through layered biological media that represents skin with two strongly scattering and one strongly absorbing layer.
Modelization and structural analysis of FDM parts
NASA Astrophysics Data System (ADS)
Martínez, J.; Diéguez, J. L.; Ares, J. E.; Pereira, A.; Pérez, J. A.
2012-04-01
Get prototypes from technologies of Rapid Prototyping (RP) is a very important step for the development of new products. In some cases, these prototypes have mechanical properties lower than the final product, which prevents the designers to use all of the potential that these technologies can provide. In this study the RP technology known as FDM (Fused Deposition Modeling) was used to manufacture samples used in tests, in where the orientation of deposition wires in layers were varying depending on manufacturing placement. Mechanical tests were performed to verify the stiffness of the final pieces obtained. The Classical Theory of Laminates (TCL) will be used to predict the mechanical behavior of the parts in different orientations of manufacturing. Thus, this study aims to evaluate the influence of the strategies in the deposition of construction material on the mechanical properties of parts obtained by the FDM and analyzes manufacturing factors for a future generation of a finite elements analytic model that could be used to obtain the structural behavior of parts made by rapid prototyping with FDM technology.
Reading and a Diffusion Model Analysis of Reaction Time
Naples, Adam; Katz, Leonard; Grigorenko, Elena L.
2012-01-01
Processing speed is associated with reading performance. However, the literature is not clear either on the definition of processing speed or on why and how it contributes to reading performance. In this study we demonstrated that processing speed, as measured by reaction time, is not a unitary construct. Using the diffusion model of two-choice reaction time, we assessed processing speed in a series of same-different reaction time tasks for letter and number strings. We demonstrated that the association between reaction time and reading performance is driven by processing speed for reading-related information, but not motor or sensory encoding speed. PMID:22612543
A study of hydrogen diffusion flames using PDF turbulence model
NASA Technical Reports Server (NTRS)
Hsu, Andrew T.
1991-01-01
The application of probability density function (pdf) turbulence models is addressed in this work. For the purpose of accurate prediction of turbulent combustion, an algorithm that combines a conventional CFD flow solver with the Monte Carlo simulation of the pdf evolution equation has been developed. The algorithm has been validated using experimental data for a heated turbulent plane jet. The study of H2-F2 diffusion flames has been carried out using this algorithm. Numerical results compared favorably with experimental data. The computuations show that the flame center shifts as the equivalence ratio changes, and that for the same equivalence ratio, similarity solutions for flames exist.
A study of hydrogen diffusion flames using PDF turbulence model
NASA Technical Reports Server (NTRS)
Hsu, Andrew T.
1991-01-01
The application of probability density function (pdf) turbulence models is addressed. For the purpose of accurate prediction of turbulent combustion, an algorithm that combines a conventional computational fluid dynamic (CFD) flow solver with the Monte Carlo simulation of the pdf evolution equation was developed. The algorithm was validated using experimental data for a heated turbulent plane jet. The study of H2-F2 diffusion flames was carried out using this algorithm. Numerical results compared favorably with experimental data. The computations show that the flame center shifts as the equivalence ratio changes, and that for the same equivalence ratio, similarity solutions for flames exist.
Kohfahl, Claus; Graupner, Torsten; Fetzer, Christian; Holzbecher, Ekkehard; Pekdeger, Asaf
2011-08-01
This study reports column tests and modelling results to assess the impact of hardpans and cemented layers on oxygen supply in mine waste sediments. The analysed sediment samples were obtained from a low-sulphide and low-carbonate polymetallic mine waste tailings impoundment located in the Freiberg mining district in Germany. The three samples were characterised by different degrees and types of cementation. After physical and mineralogical properties of the samples had been determined, breakthrough curves of oxygen were measured in column studies at different degrees of water saturation, and the diffusivities were assessed using a numerical modelling approach. Results demonstrate that cemented layers and hardpans in undisturbed sediments associated with fine-grained material operate as preferential pathways for diffusive gas transport during rewetting, leading to higher oxygen diffusivities compared to disturbed sediments. Under air-dry conditions, the disturbed samples show higher diffusivities than the undisturbed sample, indicating clogging of the porosity by precipitation of secondary minerals such as trivalent Fe oxyhydroxides acting as a barrier and thereby decreasing the diffusivity of the undisturbed sample. In contrast to sediments without cementation, diffusion experiments of sediments with cemented layers used in this study yield similar tortuosities in spite of their different grain size distributions, pointing to the important role of these heterogeneities for gas diffusion. Copyright © 2011 Elsevier B.V. All rights reserved.
SHIR competitive information diffusion model for online social media
NASA Astrophysics Data System (ADS)
Liu, Yun; Diao, Su-Meng; Zhu, Yi-Xiang; Liu, Qing
2016-11-01
In online social media, opinion divergences and differentiations generally exist as a result of individuals' extensive participation and personalization. In this paper, a Susceptible-Hesitated-Infected-Removed (SHIR) model is proposed to study the dynamics of competitive dual information diffusion. The proposed model extends the classical SIR model by adding hesitators as a neutralized state of dual information competition. It is both hesitators and stable spreaders that facilitate information dissemination. Researching on the impacts of diffusion parameters, it is found that the final density of stiflers increases monotonically as infection rate increases and removal rate decreases. And the advantage information with larger stable transition rate takes control of whole influence of dual information. The density of disadvantage information spreaders slightly grows with the increase of its stable transition rate, while whole spreaders of dual information and the relaxation time remain almost unchanged. Moreover, simulations imply that the final result of competition is closely related to the ratio of stable transition rates of dual information. If the stable transition rates of dual information are nearly the same, a slightly reduction of the smaller one brings out a significant disadvantage in its propagation coverage. Additionally, the relationship of the ratio of final stiflers versus the ratio of stable transition rates presents power characteristic.
A chaotic model for advertising diffusion problem with competition
NASA Astrophysics Data System (ADS)
Ip, W. H.; Yung, K. L.; Wang, Dingwei
2012-08-01
In this article, the author extends Dawid and Feichtinger's chaotic advertising diffusion model into the duopoly case. A computer simulation system is used to test this enhanced model. Based on the analysis of simulation results, it is found that the best advertising strategy in duopoly is to increase the advertising investment to reach the best Win-Win situation where the oscillation of market portion will not occur. In order to effectively arrive at the best situation, we define a synthetic index and two thresholds. An estimation method for the parameters of the index and thresholds is proposed in this research. We can reach the Win-Win situation by simply selecting the control parameters to make the synthetic index close to the threshold of min-oscillation state. The numerical example and computational results indicated that the proposed chaotic model is useful to describe and analyse advertising diffusion process in duopoly, it is an efficient tool for the selection and optimisation of advertising strategy.
Modeling the Determinants Influencing the Diffusion of Mobile Internet
NASA Astrophysics Data System (ADS)
Alwahaishi, Saleh; Snášel, Václav
2013-04-01
Understanding individual acceptance and use of Information and Communication Technology (ICT) is one of the most mature streams of information systems research. In Information Technology and Information System research, numerous theories are used to understand users' adoption of new technologies. Various models were developed including the Innovation Diffusion Theory, Theory of Reasoned Action, Theory of Planned Behavior, Technology Acceptance Model, and recently, the Unified Theory of Acceptance and Use of Technology. This research composes a new hybrid theoretical framework to identify the factors affecting the acceptance and use of Mobile Internet -as an ICT application- in a consumer context. The proposed model incorporates eight constructs: Performance Expectancy (PE), Effort Expectancy (EE), Facilitating Conditions (FC), Social Influences (SI), Perceived Value (PV), Perceived Playfulness (PP), Attention Focus (AF), and Behavioral intention (BI). Individual differences-namely, age, gender, education, income, and experience are moderating the effects of these constructs on behavioral intention and technology use.
Effect of numerical diffusion on the water mass transformation in eddy-resolving models
NASA Astrophysics Data System (ADS)
Urakawa, L. Shogo; Hasumi, Hiroyasu
2014-02-01
This study investigates the effect of numerical diffusion associated with advection schemes on water mass transformation in an eddy-resolving model. The effect of numerical diffusion is evaluated as a residual between the total water mass transformation and the explicit water mass transformation: the former is calculated as the sum of meridional streamfunction and the temporal change rate of an isopycnal surface depth, and the latter is directly calculated with the use of the tendency equation of density. This method is used for investigating a dependency of numerical diffusion on explicit diffusivity. It is found that idealized channel experiments are categorized into three regimes according to a magnitude of explicit diffusivity: numerical diffusion, transitional, and explicit diffusion regimes. The numerical diffusion regime is defined as the regime where explicit diffusion changes do not significantly impact the solution. The magnitude of numerical diffusion is independent of the explicit diffusivity there. In the transitional regime, explicit (numerical) diffusion works more (less) with higher explicit diffusivity. Explicit and numerical diffusions are comparably important there. The explicit diffusion becomes significantly large and the numerical diffusion is almost negligible in the explicit diffusion regime. The total diffusion effect on water mass transformation there is considerably larger than those in the two other regimes. Two experiments are conducted with a Southern Ocean model under a realistic configuration. These belong to the numerical diffusion and transitional regimes. The model becomes a little too diffusive in the latter experiment. This result and results of channel experiments indicate that it is not an adequate option for a realistic Southern Ocean simulation that we adopt a diffusion coefficient in the explicit diffusion regime in order to reduce levels of numerical diffusion. It indicates that numerical diffusion is inevitable for eddy
Hybrid approaches for multiple-species stochastic reaction–diffusion models
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen
2015-10-15
Reaction–diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction–diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model. - Highlights: • A novel hybrid stochastic/deterministic reaction–diffusion simulation method is given. • Can massively speed up stochastic simulations while preserving stochastic effects. • Can handle multiple reacting species. • Can handle moving boundaries.
Modeling of diffusion with partitioning in stratum corneum using a finite element model.
Barbero, Ana M; Frasch, H F
2005-09-01
Partitioning and diffusion of chemicals in skin is of interest to researchers in areas such as transdermal penetration and drug disposition, either for risk assessment or transdermal delivery. In this study a finite element method is used to model diffusion in the skin's outermost layer, the stratum corneum (SC). The SC is considered to be a finite two-dimensional composite having different diffusivity values in each medium as well as a partition coefficient at the interfaces between media. A commercial finite element package with thermal analysis capabilities is selected due to the flexibility of this software to handle irregular geometries. Partitioning is accommodated through a change of variables technique. This technique is validated by comparison of model results with analytical solutions of steady-state flux, transient concentration profiles, and time lag for diffusion in laminates. Two applications are presented. Diffusion is solved in a two-dimensional "brick and mortar" geometry that is a simplification of human stratum corneum, with a partition coefficient between corneocyte and lipid. Results are compared to the diffusion in multiple laminates to examine effects of the partition coefficient. The second application is the modeling of diffusion with partitioning through an irregular geometry which is obtained from a micrograph of hairless mouse stratum corneum.
The ADR model developed in Part I of this study was successfully validated with experimenta data obtained for the inactivation of C. parvum and C. muris oocysts with a pilot-scale ozone-bubble diffuser contactor operated with treated Ohio River water. Kinetic parameters, required...
Analysis of a diffuse interface model of multispecies tumor growth
NASA Astrophysics Data System (ADS)
Dai, Mimi; Feireisl, Eduard; Rocca, Elisabetta; Schimperna, Giulio; Schonbek, Maria E.
2017-04-01
We consider a diffuse interface model for tumor growth recently proposed in Chen et al (2014 Int. J. Numer. Methods Biomed. Eng. 30 726-54). In this new approach sharp interfaces are replaced by narrow transition layers arising due to adhesive forces among the cell species. Hence, a continuum thermodynamically consistent model is introduced. The resulting PDE system couples four different types of equations: a Cahn-Hilliard type equation for the tumor cells (which include proliferating and dead cells), a Darcy law for the tissue velocity field, whose divergence may be different from 0 and depend on the other variables, a transport equation for the proliferating (viable) tumor cells, and a quasi-static reaction diffusion equation for the nutrient concentration. We establish existence of weak solutions for the PDE system coupled with suitable initial and boundary conditions. In particular, the proliferation function at the boundary is supposed to be nonnegative on the set where the velocity \\mathbf{u} satisfies \\mathbf{u}\\centerdot ν >0 , where ν is the outer normal to the boundary of the domain.
Aggregation-fragmentation-diffusion model for trail dynamics
Kawagoe, Kyle; Huber, Greg; Pradas, Marc; ...
2017-07-21
We investigate statistical properties of trails formed by a random process incorporating aggregation, fragmentation, and diffusion. In this stochastic process, which takes place in one spatial dimension, two neighboring trails may combine to form a larger one, and also one trail may split into two. In addition, trails move diffusively. The model is defined by two parameters which quantify the fragmentation rate and the fragment size. In the long-time limit, the system reaches a steady state, and our focus is the limiting distribution of trail weights. We find that the density of trail weight has power-law tail P(w)~w–γ for smallmore » weight w. We obtain the exponent γ analytically and find that it varies continuously with the two model parameters. In conclusion, the exponent γ can be positive or negative, so that in one range of parameters small-weight trails are abundant and in the complementary range they are rare.« less
Diffusion dynamics in the disordered Bose Hubbard model
NASA Astrophysics Data System (ADS)
Wadleigh, Laura; Russ, Philip; Demarco, Brian
2016-05-01
We explore the dynamics of diffusion for out-of-equilibrium superfluid, Mott insulator, and Bose glass states using an atomic realization of the disordered Bose Hubbard (DBH) model. Dynamics in strongly correlated systems, especially far from equilibrium, are not well understood. The introduction of disorder further complicates these systems. We realize the DBH model--which has been central to our understanding of quantum phase transitions in disordered systems--using ultracold Rubidium-87 atoms trapped in a cubic disordered optical lattice. By tightly focusing a beam into the center of the gas, we create a hole in the atomic density profile. We achieve Mott insulator, superfluid, or Bose glass states by varying the interaction and disorder strength, and measure the time evolution of the density profile after removing the central barrier. This allows us to infer diffusion rates from the velocities at the edge of the hole and to look for signatures of superfluid puddles in the Bose glass state. We acknowledge funding from NSF Grant PHY 15-05468, NSF Grant DGE-1144245, and ARO Grant W911NF-12-1-0462.
Pharmacokinetic modeling of ascorbate diffusion through normal and tumor tissue.
Kuiper, Caroline; Vissers, Margreet C M; Hicks, Kevin O
2014-12-01
Ascorbate is delivered to cells via the vasculature, but its ability to penetrate into tissues remote from blood vessels is unknown. This is particularly relevant to solid tumors, which often contain regions with dysfunctional vasculature, with impaired oxygen and nutrient delivery, resulting in upregulation of the hypoxic response and also the likely depletion of essential plasma-derived biomolecules, such as ascorbate. In this study, we have utilized a well-established multicell-layered, three-dimensional pharmacokinetic model to measure ascorbate diffusion and transport parameters through dense tissue in vitro. Ascorbate was found to penetrate the tissue at a slightly lower rate than mannitol and to travel via the paracellular route. Uptake parameters into the cells were also determined. These data were fitted to the diffusion model, and simulations of ascorbate pharmacokinetics in normal tissue and in hypoxic tumor tissue were performed with varying input concentrations, ranging from normal dietary plasma levels (10-100 μM) to pharmacological levels (>1 mM) as seen with intravenous infusion. The data and simulations demonstrate heterogeneous distribution of ascorbate in tumor tissue at physiological blood levels and provide insight into the range of plasma ascorbate concentrations and exposure times needed to saturate all regions of a tumor. The predictions suggest that supraphysiological plasma ascorbate concentrations (>100 μM) are required to achieve effective delivery of ascorbate to poorly vascularized tumor tissue.
SCIMAP: Modelling Diffuse Pollution in Large River Basins
NASA Astrophysics Data System (ADS)
Milledge, D.; Heathwaite, L.; Lane, S. N.; Reaney, S. M.
2009-12-01
Polluted rivers are a problem for the plants and animals that require clean water to survive. Watershed scale processes can influence instream aquatic ecosystems by delivering fine sediment, solutes and organic matter from diffuse sources. To improve our rivers we need to identify the pollution sources. Models can help us to do this but these rarely address the extent to which risky land uses are hydrologically-connected, and hence able to deliver, to the drainage network. Those that do tend to apply a full hydrological scheme, which is unfeasible for large watersheds. Here we develop a risk-based modelling framework, SCIMAP, for diffuse pollution from agriculture (Nitrate, Phosphate and Fine Sediment). In each case the basis of the analysis is the joint consideration of the probability of a unit of land (25 m2 cell) producing a particular environmental risk and then of that risk reaching the river. The components share a common treatment of hydrological connectivity but differ in their treatment of each pollution type. We test and apply SCIMAP using spatially-distributed instream water quality data for some of the UK’s largest catchments to infer the processes and the associated process parameters that matter in defining their concentrations. We use these to identify a series of risky field locations, where this land use is readily connected to the river system by overland flow.
Molecular Modeling of Diffusion on a Crystalline PETN Surface
Lin, P; Khare, R; Gee, R H; Weeks, B L
2007-07-13
Surface diffusion on a PETN crystal was investigated by treating the surface diffusion as an activated process in the formalism of transition state theory. In particular, surface diffusion on the (110) and (101) facets, as well as diffusion between these facets, were considered. We successfully obtained the potential energy barriers required for PETN surface diffusion. Our results show that the (110) surface is more thermally active than the (101) surface and PETN molecules mainly diffuses from the (110) to (101) facet. These results are in good agreement with experimental observations and previous simulations.
Mathematical model for silicon electrode - Part I. 2-d model
NASA Astrophysics Data System (ADS)
Sikha, Godfrey; De, Sumitava; Gordon, Joseph
2014-09-01
This paper presents a 2-dimensional transient numerical model to simulate the electrochemical lithium insertion in a silicon nanowire (Si NW) electrode. The model geometry is a cylindrical Si NW electrode anchored to a copper current collector (Cu CC) substrate. The model solves for diffusion of lithium in Si NW, stress generation in the Si NW due to chemical and elastic strains, stress generation in the Cu CC due to elastic strain, and volume expansion in the Si NW and Cu CC geometries. The evolution of stress components, i.e., radial, axial and tangential stresses in different regions in the Si NW are presented and discussed. The effect of radius of Si NW and lithiation rate, on the maximum stresses developed in the Si NW are also discussed.
Comparison of Turbulent Thermal Diffusivity and Scalar Variance Models
NASA Technical Reports Server (NTRS)
Yoder, Dennis A.
2016-01-01
In this study, several variable turbulent Prandtl number formulations are examined for boundary layers, pipe flow, and axisymmetric jets. The model formulations include simple algebraic relations between the thermal diffusivity and turbulent viscosity as well as more complex models that solve transport equations for the thermal variance and its dissipation rate. Results are compared with available data for wall heat transfer and profile measurements of mean temperature, the root-mean-square (RMS) fluctuating temperature, turbulent heat flux and turbulent Prandtl number. For wall-bounded problems, the algebraic models are found to best predict the rise in turbulent Prandtl number near the wall as well as the log-layer temperature profile, while the thermal variance models provide a good representation of the RMS temperature fluctuations. In jet flows, the algebraic models provide no benefit over a constant turbulent Prandtl number approach. Application of the thermal variance models finds that some significantly overpredict the temperature variance in the plume and most underpredict the thermal growth rate of the jet. The models yield very similar fluctuating temperature intensities in jets from straight pipes and smooth contraction nozzles, in contrast to data that indicate the latter should have noticeably higher values. For the particular low subsonic heated jet cases examined, changes in the turbulent Prandtl number had no effect on the centerline velocity decay.
A Lattice Boltzmann Model for Oscillating Reaction-Diffusion
NASA Astrophysics Data System (ADS)
Rodríguez-Romo, Suemi; Ibañez-Orozco, Oscar; Sosa-Herrera, Antonio
2016-07-01
A computational algorithm based on the lattice Boltzmann method (LBM) is proposed to model reaction-diffusion systems. In this paper, we focus on how nonlinear chemical oscillators like Belousov-Zhabotinsky (BZ) and the chlorite-iodide-malonic acid (CIMA) reactions can be modeled by LBM and provide with new insight into the nature and applications of oscillating reactions. We use Gaussian pulse initial concentrations of sulfuric acid in different places of a bidimensional reactor and nondiffusive boundary walls. We clearly show how these systems evolve to a chaotic attractor and produce specific pattern images that are portrayed in the reactions trajectory to the corresponding chaotic attractor and can be used in robotic control.
On Modeling Viral Diffusion in Heterogeneous Wireless Networks
NASA Astrophysics Data System (ADS)
Nguyen, Hoai-Nam; Shinoda, Yoichi
Smart phones and computers now are able to co-work in a wireless environment where malware can propagate. Although many investigations have modeled the spread of malware, little has been done to take into account different characteristics of items to see how they affect disease diffusion in an ad hoc network. We have therefore developed a novel framework, consisting of two models, which consider diversity of objects as well as interactions between their different classes. Our framework is able to produce a huge result space thus makes it appropriate to describe many viral proliferating scenarios. Additionally, we have developed a formula to calculate the possible average number of newly infected devices in the considered system. An important contribution of our work is the comprehension of item diversity, which states that a mixture of device types causes a bigger malware spread as the number of device types in the network increases.
A self-consistent spin-diffusion model for micromagnetics.
Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Manchon, Aurelien; Praetorius, Dirk; Suess, Dieter
2016-12-01
We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.
An HBV model with diffusion and time delay.
Xu, Rui; Ma, Zhien
2009-04-07
In this paper, a hepatitis B virus (HBV) model with spatial diffusion and saturation response of the infection rate is investigated, in which the intracellular incubation period is modelled by a discrete time delay. By analyzing the corresponding characteristic equations, the local stability of an infected steady state and an uninfected steady state is discussed. By comparison arguments, it is proved that if the basic reproductive number is less than unity, the uninfected steady state is globally asymptotically stable. If the basic reproductive number is greater than unity, by successively modifying the coupled lower-upper solution pairs, sufficient conditions are obtained for the global stability of the infected steady state. Numerical simulations are carried out to illustrate the main results.
Nation-scale adoption of new medicines by doctors: an application of the Bass diffusion model
2012-01-01
Background The adoption of new medicines is influenced by a complex set of social processes that have been widely examined in terms of individual prescribers’ information-seeking and decision-making behaviour. However, quantitative, population-wide analyses of how long it takes for new healthcare practices to become part of mainstream practice are rare. Methods We applied a Bass diffusion model to monthly prescription volumes of 103 often-prescribed drugs in Australia (monthly time series data totalling 803 million prescriptions between 1992 and 2010), to determine the distribution of adoption rates. Our aim was to test the utility of applying the Bass diffusion model to national-scale prescribing volumes. Results The Bass diffusion model was fitted to the adoption of a broad cross-section of drugs using national monthly prescription volumes from Australia (median R2 = 0.97, interquartile range 0.95 to 0.99). The median time to adoption was 8.2 years (IQR 4.9 to 12.1). The model distinguished two classes of prescribing patterns – those where adoption appeared to be driven mostly by external forces (19 drugs) and those driven mostly by social contagion (84 drugs). Those driven more prominently by internal forces were found to have shorter adoption times (p = 0.02 in a non-parametric analysis of variance by ranks). Conclusion The Bass diffusion model may be used to retrospectively represent the patterns of adoption exhibited in prescription volumes in Australia, and distinguishes between adoption driven primarily by external forces such as regulation, or internal forces such as social contagion. The eight-year delay between the introduction of a new medicine and the adoption of the prescribing practice suggests the presence of system inertia in Australian prescribing practices. PMID:22876867
Partly conditional survival models for longitudinal data.
Zheng, Yingye; Heagerty, Patrick J
2005-06-01
It is common in longitudinal studies to collect information on the time until a key clinical event, such as death, and to measure markers of patient health at multiple follow-up times. One approach to the joint analysis of survival and repeated measures data adopts a time-varying covariate regression model for the event time hazard. Using this standard approach, the instantaneous risk of death at time t is specified as a possibly semi-parametric function of covariate information that has accrued through time t. In this manuscript, we decouple the time scale for modeling the hazard from the time scale for accrual of available longitudinal covariate information. Specifically, we propose a class of models that condition on the covariate information through time s and then specifies the conditional hazard for times t, where t > s. Our approach parallels the "partly conditional" models proposed by Pepe and Couper (1997, Journal of the American Statistical Association 92, 991-998) for pure repeated measures applications. Estimation is based on the use of estimating equations applied to clusters of data formed through the creation of derived survival times that measure the time from measurement of covariates to the end of follow-up. Patient follow-up may be terminated either by the occurrence of the event or by censoring. The proposed methods allow a flexible characterization of the association between a longitudinal covariate process and a survival time, and facilitate the direct prediction of survival probabilities in the time-varying covariate setting.
Modeling of tower relief dynamics: Part 2
Cassata, J.R.; Dasgupta, S.; Gandhi, S.L. )
1993-11-01
Dynamic simulations of individual towers or systems of distillations columns overcome limitations of steady-state models by rigorously determining dynamic responses. These will lead to a realistic quantification of relief header and flare system load and identify the design-setting relief scenario. Determination of distillation tower relief loads based on steady-state simulations or recognized methods of approximation can lead to over designing relief systems by large margins. This can result in unnecessary capital expenditure for relief headers and flare systems that can significantly alter the economics of a proposed project. Such overly conservative requirements may even cause potentially attractive projects to be unnecessarily canceled. In addition, approximate methods or analyses based on steady-state simulations sometimes do not identify the design-setting relief mode. Part 1 introduced the PRV and tower dynamic models. Different strategies were shown that can simplify these models. These strategies include tower segmentation, tray lumping and component lumping. Two case studies illustrate the advantages of dynamic models. The two studies are a depentanizer tower relief study and a delthanizer tower relief study.
Rule-based spatial modeling with diffusing, geometrically constrained molecules.
Gruenert, Gerd; Ibrahim, Bashar; Lenser, Thorsten; Lohel, Maiko; Hinze, Thomas; Dittrich, Peter
2010-06-07
We suggest a new type of modeling approach for the coarse grained, particle-based spatial simulation of combinatorially complex chemical reaction systems. In our approach molecules possess a location in the reactor as well as an orientation and geometry, while the reactions are carried out according to a list of implicitly specified reaction rules. Because the reaction rules can contain patterns for molecules, a combinatorially complex or even infinitely sized reaction network can be defined. For our implementation (based on LAMMPS), we have chosen an already existing formalism (BioNetGen) for the implicit specification of the reaction network. This compatibility allows to import existing models easily, i.e., only additional geometry data files have to be provided. Our simulations show that the obtained dynamics can be fundamentally different from those simulations that use classical reaction-diffusion approaches like Partial Differential Equations or Gillespie-type spatial stochastic simulation. We show, for example, that the combination of combinatorial complexity and geometric effects leads to the emergence of complex self-assemblies and transportation phenomena happening faster than diffusion (using a model of molecular walkers on microtubules). When the mentioned classical simulation approaches are applied, these aspects of modeled systems cannot be observed without very special treatment. Further more, we show that the geometric information can even change the organizational structure of the reaction system. That is, a set of chemical species that can in principle form a stationary state in a Differential Equation formalism, is potentially unstable when geometry is considered, and vice versa. We conclude that our approach provides a new general framework filling a gap in between approaches with no or rigid spatial representation like Partial Differential Equations and specialized coarse-grained spatial simulation systems like those for DNA or virus capsid
Mukhopadhyay, B; Bhattacharyya, R
2006-02-01
The paper is concerned with the effect of variable dispersal rates on Turing instability of a non-Lotka-Volterra reaction-diffusion system. In ecological applications, the dispersal rates of different species tends to oscillate in time. This oscillation is modeled by temporal variation in the diffusion coefficient with large as well as small periodicity. The case of large periodicity is analyzed using the theory of Floquet multipliers and that of the small periodicity by using Hill's equation. The effect of such variation on the resulting Turing space is studied. A comparative analysis of the Turing spaces with constant diffusivity and variable diffusivities is performed. Numerical simulations are carried out to support analytical findings.
Modeling Periodic Impulsive Effects on Online TV Series Diffusion
Fang, Qiwen; Wang, Xi
2016-01-01
Background Online broadcasting substantially affects the production, distribution, and profit of TV series. In addition, online word-of-mouth significantly affects the diffusion of TV series. Because on-demand streaming rates are the most important factor that influences the earnings of online video suppliers, streaming statistics and forecasting trends are valuable. In this paper, we investigate the effects of periodic impulsive stimulation and pre-launch promotion on on-demand streaming dynamics. We consider imbalanced audience feverish distribution using an impulsive susceptible-infected-removed(SIR)-like model. In addition, we perform a correlation analysis of online buzz volume based on Baidu Index data. Methods We propose a PI-SIR model to evolve audience dynamics and translate them into on-demand streaming fluctuations, which can be observed and comprehended by online video suppliers. Six South Korean TV series datasets are used to test the model. We develop a coarse-to-fine two-step fitting scheme to estimate the model parameters, first by fitting inter-period accumulation and then by fitting inner-period feverish distribution. Results We find that audience members display similar viewing habits. That is, they seek new episodes every update day but fade away. This outcome means that impulsive intensity plays a crucial role in on-demand streaming diffusion. In addition, the initial audience size and online buzz are significant factors. On-demand streaming fluctuation is highly correlated with online buzz fluctuation. Conclusion To stimulate audience attention and interpersonal diffusion, it is worthwhile to invest in promotion near update days. Strong pre-launch promotion is also a good marketing tool to improve overall performance. It is not advisable for online video providers to promote several popular TV series on the same update day. Inter-period accumulation is a feasible forecasting tool to predict the future trend of the on-demand streaming amount
Modeling Periodic Impulsive Effects on Online TV Series Diffusion.
Fu, Peihua; Zhu, Anding; Fang, Qiwen; Wang, Xi
Online broadcasting substantially affects the production, distribution, and profit of TV series. In addition, online word-of-mouth significantly affects the diffusion of TV series. Because on-demand streaming rates are the most important factor that influences the earnings of online video suppliers, streaming statistics and forecasting trends are valuable. In this paper, we investigate the effects of periodic impulsive stimulation and pre-launch promotion on on-demand streaming dynamics. We consider imbalanced audience feverish distribution using an impulsive susceptible-infected-removed(SIR)-like model. In addition, we perform a correlation analysis of online buzz volume based on Baidu Index data. We propose a PI-SIR model to evolve audience dynamics and translate them into on-demand streaming fluctuations, which can be observed and comprehended by online video suppliers. Six South Korean TV series datasets are used to test the model. We develop a coarse-to-fine two-step fitting scheme to estimate the model parameters, first by fitting inter-period accumulation and then by fitting inner-period feverish distribution. We find that audience members display similar viewing habits. That is, they seek new episodes every update day but fade away. This outcome means that impulsive intensity plays a crucial role in on-demand streaming diffusion. In addition, the initial audience size and online buzz are significant factors. On-demand streaming fluctuation is highly correlated with online buzz fluctuation. To stimulate audience attention and interpersonal diffusion, it is worthwhile to invest in promotion near update days. Strong pre-launch promotion is also a good marketing tool to improve overall performance. It is not advisable for online video providers to promote several popular TV series on the same update day. Inter-period accumulation is a feasible forecasting tool to predict the future trend of the on-demand streaming amount. The buzz in public social communities
An intravoxel oriented flow model for diffusion-weighted imaging of the kidney.
Hilbert, Fabian; Bock, Maximilian; Neubauer, Henning; Veldhoen, Simon; Wech, Tobias; Bley, Thorsten Alexander; Köstler, Herbert
2016-10-01
By combining intravoxel incoherent motion (IVIM) and diffusion tensor imaging (DTI) we introduce a new diffusion model called intravoxel oriented flow (IVOF) that accounts for anisotropy of diffusion and the flow-related signal. An IVOF model using a simplified apparent flow fraction tensor (IVOFf ) is applied to diffusion-weighted imaging of human kidneys. The kidneys of 13 healthy volunteers were examined on a 3 T scanner. Diffusion-weighted images were acquired with six b values between 0 and 800 s/mm(2) and 30 diffusion directions. Diffusivity and flow fraction were calculated for different diffusion models. The Akaike information criterion was used to compare the model fit of the proposed IVOFf model to IVIM and DTI. In the majority of voxels the proposed IVOFf model with a simplified apparent flow fraction tensor performs better than IVIM and DTI. Mean diffusivity is significantly higher in DTI compared with models that account for the flow-related signal. The fractional anisotropy of diffusion is significantly reduced when flow fraction is considered to be anisotropic. Anisotropy of the apparent flow fraction tensor is significantly higher in the renal medulla than in the cortex region. The IVOFf model describes diffusion-weighted data in the human kidney more accurately than IVIM or DTI. The apparent flow fraction in the kidney proved to be anisotropic.
Mechanism of diffusive transport in molecular spider models
NASA Astrophysics Data System (ADS)
Semenov, Oleg; Olah, Mark J.; Stefanovic, Darko
2011-02-01
Recent advances in single-molecule chemistry have led to designs for artificial multipedal walkers that follow tracks of chemicals. We investigate the motion of a class of walkers, called molecular spiders, which consist of a rigid chemically inert body and several flexible enzymatic legs. The legs can reversibly bind to chemical substrates on a surface and through their enzymatic action convert them to products. The legs can also reversibly bind to products, but at a different rate. Antal and Krapivsky have proposed a model for molecular spider motion over regular one-dimensional lattices [T. Antal and P. L. Krapivsky, Phys. Rev. ENATUAS1539-375510.1103/PhysRevE.76.021121 76, 021121 (2007).]. In the model the legs hop from site to site under constraints imposed by connection to a common body. The first time a leg visits a site, the site is an uncleaved substrate, and the leg hops from this site only once it has cleaved it into a product. This cleavage happens at a rate r<1, slower than dissociation from a product site, r=1. The effect of cleavage is to slow down the hopping rate for legs that visit a site for the first time. Along with the constraints imposed on the legs, this leads to an effective bias in the direction of unvisited sites that decreases the average time needed to visit n sites. The overall motion, however, remains diffusive in the long time limit. We have reformulated the Antal-Krapivsky model as a continuous-time Markov process and simulated many traces of this process using kinetic Monte Carlo techniques. Our simulations show a previously unpredicted transient behavior wherein spiders with small r values move superdiffusively over significant distances and times. We explain this transient period of superdiffusive behavior by describing the spider process as switching between two metastates: a diffusive state D wherein the spider moves in an unbiased manner over previously visited sites, and a boundary state B wherein the spider is on the
Modeling geomagnetic storms on prompt and diffusive time scales
NASA Astrophysics Data System (ADS)
Li, Zhao
The discovery of the Van Allen radiation belts in the 1958 was the first major discovery of the Space Age. There are two belts of energetic particles. The inner belt is very stable, but the outer belt is extremely variable, especially during geomagnetic storms. As the energetic particles are hazardous to spacecraft, understanding the source of these particles and their dynamic behavior driven by solar activity has great practical importance. In this thesis, the effects of magnetic storms on the evolution of the electron radiation belts, in particular the outer zone, is studied using two types of numerical simulation: radial diffusion and magnetohydrodynamics (MHD) test-particle simulation. A radial diffusion code has been developed at Dartmouth, applying satellite measurements to model flux as an outer boundary condition, exploring several options for the diffusion coefficient and electron loss time. Electron phase space density is analyzed for July 2004 coronal mass ejection (CME) driven storms and March-April 2008 co-rotating interaction region (CIR) driven storms, and compared with Global Positioning System (GPS) satellite measurements within 5 degrees of the magnetic equator at L=4.16. A case study of a month-long interval in the Van Allen Probes satellite era, March 2013, confirms that electron phase space density is well described by radial diffusion for the whole month at low first invariant <400~MeV/G, but peaks in phase space density observed by the ECT instrument suite at higher first invariant are not reproduced by radial transport from a source at higher L. A 3D guiding center code with plasmasheet injection is used to simulate particle motion in time-dependent MHD fields calculated from the Lyon-Fedder-Mobarry global MHD code, as an extension of the Hudson et al. (2012) study of the Whole Heliosphere Interval of CIR-driven storms in March-April 2008. Direct comparison with measured fluxes at GOES show improved comparison with observations relative to
Analytical model of diffuse reflectance spectrum of skin tissue
Lisenko, S A; Kugeiko, M M; Firago, V A; Sobchuk, A N
2014-01-31
We have derived simple analytical expressions that enable highly accurate calculation of diffusely reflected light signals of skin in the spectral range from 450 to 800 nm at a distance from the region of delivery of exciting radiation. The expressions, taking into account the dependence of the detected signals on the refractive index, transport scattering coefficient, absorption coefficient and anisotropy factor of the medium, have been obtained in the approximation of a two-layer medium model (epidermis and dermis) for the same parameters of light scattering but different absorption coefficients of layers. Numerical experiments on the retrieval of the skin biophysical parameters from the diffuse reflectance spectra simulated by the Monte Carlo method show that commercially available fibre-optic spectrophotometers with a fixed distance between the radiation source and detector can reliably determine the concentration of bilirubin, oxy- and deoxyhaemoglobin in the dermis tissues and the tissue structure parameter characterising the size of its effective scatterers. We present the examples of quantitative analysis of the experimental data, confirming the correctness of estimates of biophysical parameters of skin using the obtained analytical expressions. (biophotonics)
Analytical model of diffuse reflectance spectrum of skin tissue
NASA Astrophysics Data System (ADS)
Lisenko, S. A.; Kugeiko, M. M.; Firago, V. A.; Sobchuk, A. N.
2014-01-01
We have derived simple analytical expressions that enable highly accurate calculation of diffusely reflected light signals of skin in the spectral range from 450 to 800 nm at a distance from the region of delivery of exciting radiation. The expressions, taking into account the dependence of the detected signals on the refractive index, transport scattering coefficient, absorption coefficient and anisotropy factor of the medium, have been obtained in the approximation of a two-layer medium model (epidermis and dermis) for the same parameters of light scattering but different absorption coefficients of layers. Numerical experiments on the retrieval of the skin biophysical parameters from the diffuse reflectance spectra simulated by the Monte Carlo method show that commercially available fibre-optic spectrophotometers with a fixed distance between the radiation source and detector can reliably determine the concentration of bilirubin, oxy- and deoxyhaemoglobin in the dermis tissues and the tissue structure parameter characterising the size of its effective scatterers. We present the examples of quantitative analysis of the experimental data, confirming the correctness of estimates of biophysical parameters of skin using the obtained analytical expressions.
NASA Astrophysics Data System (ADS)
Li, Yiming; Chiang, Su-Yun; Liou, Kuen-Ying
2007-11-01
In this paper, using the realistic market data of NAND flash memory in the past decade, we provide theoretical arguments and empirical evidence for how genetic algorithms (GA) can be used for efficient estimation of macro-level diffusion models. Under the comparison of two methods, we perform two parts; one is the estimation of growth of single generation of NAND flash memory and the other is the estimation of growth of multi-generation NAND flash memory. In the first part, we find the estimated ability of GA is as good as nonlinear least square (NLS), but GA can overcome initial guess problems that NLS couldn't. In the second part, we find the result of estimation by NLS method cannot converge. Thus, GA is superior to NLS when we perform the estimation of multi-generation flash memory. According to the preliminary results above, we could conclude that GA is suited for estimation of diffusion model than that of the NLS; in particular, for multi-generation NAND flash memory.
Weak solutions for a non-Newtonian diffuse interface model with different densities
NASA Astrophysics Data System (ADS)
Abels, Helmut; Breit, Dominic
2016-11-01
We consider weak solutions for a diffuse interface model of two non-Newtonian viscous, incompressible fluids of power-law type in the case of different densities in a bounded, sufficiently smooth domain. This leads to a coupled system of a nonhomogenouos generalized Navier-Stokes system and a Cahn-Hilliard equation. For the Cahn-Hilliard part a smooth free energy density and a constant, positive mobility is assumed. Using the {{L}∞} -truncation method we prove existence of weak solutions for a power-law exponent p>\\frac{2d+2}{d+2} , d = 2, 3.
Diffusion bonding and its application to manufacturing. [for joining of metal parts
NASA Technical Reports Server (NTRS)
Spurgeon, W. M.
1972-01-01
In its simplest form diffusion bonding is accomplished by placing clean metal surfaces together under a sufficient load and heating. The natural interatomic attractive force between atoms transforms the interface into a natural grain boundary. Therefore, in principle, the properties of the bond area are identical to those of the parent metal. Other advantages of diffusion bonding over conventional methods of bonding include freedom from residual stresses, excessive deformation, foreign metals, or changed crystal structures. Stainless steels, nickel-base superalloys, and aluminum alloys have all been successfully joined. Complex hardware, including integrated flueric devices, jet engine servovalves, and porous woven structures have been fabricated. The processing involved is discussed, along with such theoretical considerations as the role of metal surfaces, the formation of metal contact junctions, and the mechanisms of material transport in diffusion bonding.
NASA Astrophysics Data System (ADS)
Martelli, Fabrizio; Ninni, Paola Di; Zaccanti, Giovanni; Contini, Davide; Spinelli, Lorenzo; Torricelli, Alessandro; Cubeddu, Rinaldo; Wabnitz, Heidrun; Mazurenka, Mikhail; Macdonald, Rainer; Sassaroli, Angelo; Pifferi, Antonio
2014-07-01
We present the experimental implementation and validation of a phantom for diffuse optical imaging based on totally absorbing objects for which, in the previous paper [J. Biomed. Opt. 18(6), 066014, (2013)], we have provided the basic theory. Totally absorbing objects have been manufactured as black polyvinyl chloride (PVC) cylinders and the phantom is a water dilution of intralipid-20% as the diffusive medium and India ink as the absorber, filled into a black scattering cell made of PVC. By means of time-domain measurements and of Monte Carlo simulations, we have shown the reliability, the accuracy, and the robustness of such a phantom in mimicking typical absorbing perturbations of diffuse optical imaging. In particular, we show that such a phantom can be used to generate any absorption perturbation by changing the volume and position of the totally absorbing inclusion.
Reactor-Diffusion Models For Cartilage Pattern Formation
NASA Astrophysics Data System (ADS)
Glimm, Tilmann; Hentschel, H. G. E.
2004-03-01
In the early stages of the development of the embryonic chick limb, the sites of future skeletal elements are marked by a prepattern formed by condensations of precartilage cells. A number of different theories have been proposed as to what mechanism determines the characteristic size, shape and number of these condensations. Nevertheless, there is still little definite knowledge on this question. In this talk, we present a model of the limb based on recent experiments and additional hypotheses. In this model, it is a ``reactor-diffusion'' mechanism which gives rise to precartilage condensation. The model consists of a system of nonlinear partial differential equations which govern the spatiotemporal distribution of various types of mesenchymal cells and relevant biomolecules. These biomolecules include Fibroblast growth factors (FGFs), transforming growth factor-betas (TGF-βs), the extracellular matrix protein Fibronectin, as well as a laterally-acting inhibitor. We present the results of numerical simulations for the system of PDEs. Also addressed are preliminary results on how this PDE model can be tied in with more biologically realistic cellular automata based models.
A model for the diffuse attenuation coefficient of downwelling irradiance
NASA Astrophysics Data System (ADS)
Lee, Zhong-Ping; Du, Ke-Ping; Arnone, Robert
2005-02-01
The diffuse attenuation coefficient for downwelling irradiance (Kd) is an important parameter for ocean studies. For the vast ocean the only feasible means to get fine-scale measurements of Kd is by ocean color remote sensing. At present, values of Kd from remote sensing are estimated using empirical algorithms. Such an approach is insufficient to provide an understanding regarding the variation of Kd and contains large uncertainties in the derived values. In this study a semianalytical model for Kd is developed based on the radiative transfer equation, with values of the model parameters derived from Hydrolight simulations using the averaged particle phase function. The model is further tested with data simulated using significantly different particle phase functions, and the modeled Kd are found matching Hydrolight Kd very well (˜2% average error and ˜12% maximum error). Such a model provides an improved interpretation about the variation of Kd and a basis to more accurately determine Kd (especially using data from remote sensing).
Hall, Matt G; Bongers, Andre; Sved, Paul; Watson, Geoffrey; Bourne, Roger M
2015-04-01
Non-Gaussian diffusion dynamics was investigated in the two distinct water populations identified by a biexponential model of diffusion in prostate tissue. Diffusion-weighted MRI (DWI) signal attenuation was measured ex vivo in two formalin-fixed prostates at 9.4 T with diffusion times Δ = 10, 20 and 40 ms, and b values in the range 0.017-8.2 ms/µm(2) . A conventional biexponential model was compared with models in which either the lower diffusivity component or both of the components of the biexponential were stretched. Models were compared using Akaike's Information Criterion (AIC) and a leave-one-out (LOO) test of model prediction accuracy. The doubly stretched (SS) model had the highest LOO prediction accuracy and lowest AIC (highest information content) in the majority of voxels at Δ = 10 and 20 ms. The lower diffusivity stretching factor (α2 ) of the SS model was consistently lower (range ~0.3-0.9) than the higher diffusivity stretching factor (α1 , range ~0.7-1.1), indicating a high degree of diffusion heterogeneity in the lower diffusivity environment, and nearly Gaussian diffusion in the higher diffusivity environment. Stretched biexponential models demonstrate that, in prostate tissue, the two distinct water populations identified by the simple biexponential model individually exhibit non-Gaussian diffusion dynamics.
JPEG-2000 Part 10 Verification Model
Mniszewski, Susan; Rivenburgh, Reid; Brislawn, Chris
2003-03-04
VM10 is a research software implementation of the ISO/IEC JPEG-2000 Still Image Coding standard (ISO international Standard 15444). JPEG-2000 image coding involves subband codiing and compression of digital raster images to facilitate storage and transmission of such imagery. Images are decomposed into space/scale subbands using cascades of two-dimensional (tensor product) discrete wavelet transforms. The wavelet transforms can be either reversible (integer-to-integer) transforms or irreversible (integer-to-float). The subbands in each resolution level are quantized by uniform scalar quantization in the irreversible case. The resulting integer subbands in each resolution level are partitioned into spatially localized code blocks to facilitate localized entropy decoding. Code blocks are encoded and packaged into an embedded bitstream using binary arithmetic bitplane coding (the MQ Coder algorithm applied to hierarchical bitplane coding (the MQ coder algorithm applied to hierachical bitplane context modeling). The resultant compressed bitstream is configured for use with the JPIP interactive client-server protocol (JPEG-2000 part 9). VM10 is written in ANSI C++ using the Biltz++ array class library. To enable development of multidimensional image coding algorithms, VM10 is templated on the dimension of the array containers. It was developed with the GNU g++ compiler on both Linux (Red Hat) and Windows/cygwin platforms, although it should compile and run under other ANSI C++ compilers as well. Software design is highly modular and object-oriented in order to facilitate rapid development and frequent revision and experimentation. No attempt has been made to optimize the run-time performance of the code. The software performs both the encoding and decoding operations involved in JPEG-2000 image coding, as implemented in apps/compress/main.cpp and apps/expand/main.cpp. VM10 implements all of the JPEG-2000 baseline (Part 1, ISO 15444-1) and portions of the published
The small ice cap instability in diffusive climate models
NASA Technical Reports Server (NTRS)
North, G. R.
1984-01-01
Simple climate models which invoke diffusive heat transport and ice cap albedo feedback have equilibrium solutions with no stable ice cap smaller than a radius of about 20 deg on a great circle. Attention is presently given to a solution of this phenomenon which is physically appealing. The ice-free solution has a thermal minimum, and if the minimum temperature is just above the critical value for ice formation, then the artificial addition of a patch of ice leads to a widespread depression of the temperature below the critical freezing temperature. A second stable solution will then exist whose spatial extent is determined by the range of the influence function of a point sink of heat, due to the albedo shift in the patch.
The small ice cap instability in diffusive climate models
NASA Technical Reports Server (NTRS)
North, G. R.
1984-01-01
Simple climate models which invoke diffusive heat transport and ice cap albedo feedback have equilibrium solutions with no stable ice cap smaller than a radius of about 20 deg on a great circle. Attention is presently given to a solution of this phenomenon which is physically appealing. The ice-free solution has a thermal minimum, and if the minimum temperature is just above the critical value for ice formation, then the artificial addition of a patch of ice leads to a widespread depression of the temperature below the critical freezing temperature. A second stable solution will then exist whose spatial extent is determined by the range of the influence function of a point sink of heat, due to the albedo shift in the patch.
Random shearing direction models for isotropic turbulent diffusion
NASA Astrophysics Data System (ADS)
Majda, Andrew J.
1994-06-01
Recently, a rigorous renormalization theory for various scalar statistics has been developed for special modes of random advection diffusion involving random shear layer velocity fields with long-range spatiotemporal correlations. New random shearing direction models for isotropic turbulent diffusion are introduced here. In these models the velocity field has the spatial second-order statistics of an arbitrary prescribed stationary incompressible isotropic random field including long-range spatial correlations with infrared divergence, but the temporal correlations have finite range. The explicit theory of renormalization for the mean and second-order statistics is developed here. With ɛ the spectral parameter, for -∞<ɛ<4 and measuring the strength of the infrared divergence of the spatial spectrum, the scalar mean statistics rigorously exhibit a phase transition from mean-field behavior for ɛ<2 to anomalous behavior for ɛ with 2<ɛ<4 as conjectured earlier by Avellaneda and the author. The universal inertial range renormalization for the second-order scalar statistics exhibits a phase transition from a covariance with a Gaussian functional form for ɛ with ɛ<2 to an explicit family with a non-Gaussian covariance for ɛ with 2<ɛ<4. These non-Gaussian distributions have tails that are broader than Gaussian as ɛ varies with 2<ɛ<4 and behave for large values like exp(- C c | x|4-ɛ), with C c an explicit constant. Also, here the attractive general principle is formulated and proved that every steady, stationary, zero-mean, isotropic, incompressible Gaussian random velocity field is well approximated by a suitable superposition of random shear layers.
Stochastic fire-diffuse-fire model with realistic cluster dynamics
NASA Astrophysics Data System (ADS)
Calabrese, Ana; Fraiman, Daniel; Zysman, Daniel; Ponce Dawson, Silvina
2010-09-01
Living organisms use waves that propagate through excitable media to transport information. Ca2+ waves are a paradigmatic example of this type of processes. A large hierarchy of Ca2+ signals that range from localized release events to global waves has been observed in Xenopus laevis oocytes. In these cells, Ca2+ release occurs trough inositol 1,4,5-trisphosphate receptors (IP3Rs) which are organized in clusters of channels located on the membrane of the endoplasmic reticulum. In this article we construct a stochastic model for a cluster of IP3R ’s that replicates the experimental observations reported in [D. Fraiman , Biophys. J. 90, 3897 (2006)10.1529/biophysj.105.075911]. We then couple this phenomenological cluster model with a reaction-diffusion equation, so as to have a discrete stochastic model for calcium dynamics. The model we propose describes the transition regimes between isolated release and steadily propagating waves as the IP3 concentration is increased.
A reaction-diffusion model of cytosolic hydrogen peroxide.
Lim, Joseph B; Langford, Troy F; Huang, Beijing K; Deen, William M; Sikes, Hadley D
2016-01-01
As a signaling molecule in mammalian cells, hydrogen peroxide (H2O2) determines the thiol/disulfide oxidation state of several key proteins in the cytosol. Localization is a key concept in redox signaling; the concentrations of signaling molecules within the cell are expected to vary in time and in space in manner that is essential for function. However, as a simplification, all theoretical studies of intracellular hydrogen peroxide and many experimental studies to date have treated the cytosol as a well-mixed compartment. In this work, we incorporate our previously reported reduced kinetic model of the network of reactions that metabolize hydrogen peroxide in the cytosol into a model that explicitly treats diffusion along with reaction. We modeled a bolus addition experiment, solved the model analytically, and used the resulting equations to quantify the spatiotemporal variations in intracellular H2O2 that result from this kind of perturbation to the extracellular H2O2 concentration. We predict that micromolar bolus additions of H2O2 to suspensions of HeLa cells (0.8 × 10(9)cells/l) result in increases in the intracellular concentration that are localized near the membrane. These findings challenge the assumption that intracellular concentrations of H2O2 are increased uniformly throughout the cell during bolus addition experiments and provide a theoretical basis for differing phenotypic responses of cells to intracellular versus extracellular perturbations to H2O2 levels. Copyright © 2015 Elsevier Inc. All rights reserved.
A diffuse interface model of grain boundary faceting
NASA Astrophysics Data System (ADS)
Abdeljawad, F.; Medlin, D. L.; Zimmerman, J. A.; Hattar, K.; Foiles, S. M.
2016-06-01
Interfaces, free or internal, greatly influence the physical properties and stability of materials microstructures. Of particular interest are the processes that occur due to anisotropic interfacial properties. In the case of grain boundaries (GBs) in metals, several experimental observations revealed that an initially flat GB may facet into hill-and-valley structures with well defined planes and corners/edges connecting them. Herein, we present a diffuse interface model that is capable of accounting for strongly anisotropic GB properties and capturing the formation of hill-and-valley morphologies. The hallmark of our approach is the ability to independently examine the various factors affecting GB faceting and subsequent facet coarsening. More specifically, our formulation incorporates higher order expansions to account for the excess energy due to facet junctions and their non-local interactions. As a demonstration of the modeling capability, we consider the Σ5 <001 > tilt GB in body-centered-cubic iron, where faceting along the {210} and {310} planes was experimentally observed. Atomistic calculations were utilized to determine the inclination-dependent GB energy, which was then used as an input in our model. Linear stability analysis and simulation results highlight the role of junction energy and associated non-local interactions on the resulting facet length scales. Broadly speaking, our modeling approach provides a general framework to examine the microstructural stability of polycrystalline systems with highly anisotropic GBs.
NASA/MSFC multilayer diffusion models and computer programs, version 5
NASA Technical Reports Server (NTRS)
Dumbauld, R. K.; Bjorklund, J. R.
1975-01-01
The transport and diffusion models and algorithms developed for use by NASA in predicting concentrations and dosages downwind from normal and abnormal launches of rocket vehicles are described along with the associated computer programs for use in performing the calculations. Topics discussed include: the mathematical specifications and procedures used in the Preprocessor Program to calculate rocket exhaust cloud rise, cloud dimensions, and other input parameters to the transport and diffusion models; the revised mathematical specifications for the Multilayer Diffusion Models; users' instructions for implementing the Preprocessor and Multilayer Diffusion Models Programs; and worked example problems illustrating the use of the models and computer programs.
Protein folding dynamics: the diffusion-collision model and experimental data.
Karplus, M.; Weaver, D. L.
1994-01-01
The diffusion-collision model of protein folding is assessed. A description is given of the qualitative aspects and quantitative results of the diffusion-collision model and their relation to available experimental data. We consider alternative mechanisms for folding and point out their relationship to the diffusion-collision model. We show that the diffusion-collision model is supported by a growing body of experimental and theoretical evidence, and we outline future directions for developing the model and its applications. PMID:8003983
NASA Astrophysics Data System (ADS)
Simpson, Matthew J.; Baker, Ruth E.; McCue, Scott W.
2011-02-01
Continuum diffusion models are often used to represent the collective motion of cell populations. Most previous studies have simply used linear diffusion to represent collective cell spreading, while others found that degenerate nonlinear diffusion provides a better match to experimental cell density profiles. In the cell modeling literature there is no guidance available with regard to which approach is more appropriate for representing the spreading of cell populations. Furthermore, there is no knowledge of particular experimental measurements that can be made to distinguish between situations where these two models are appropriate. Here we provide a link between individual-based and continuum models using a multiscale approach in which we analyze the collective motion of a population of interacting agents in a generalized lattice-based exclusion process. For round agents that occupy a single lattice site, we find that the relevant continuum description of the system is a linear diffusion equation, whereas for elongated rod-shaped agents that occupy L adjacent lattice sites we find that the relevant continuum description is connected to the porous media equation (PME). The exponent in the nonlinear diffusivity function is related to the aspect ratio of the agents. Our work provides a physical connection between modeling collective cell spreading and the use of either the linear diffusion equation or the PME to represent cell density profiles. Results suggest that when using continuum models to represent cell population spreading, we should take care to account for variations in the cell aspect ratio because different aspect ratios lead to different continuum models.
Development of Spray on Bag for manufacturing of large composites parts: Diffusivity analysis
NASA Astrophysics Data System (ADS)
Dempah, Maxime Joseph
Bagging materials are utilized in many composites manufacturing processes. The selection is mainly driven by cost, temperature requirements, chemical compatibility and tear properties of the bag. The air barrier properties of the bag are assumed to be adequate or in many cases are not considered at all. However, the gas barrier property of a bag is the most critical parameter, as it can negatively affect the quality of the final laminate. The barrier property is a function of the bag material, uniformity, thickness and temperature. Improved barrier properties are needed for large parts, high pressure consolidated components and structures where air stays entrapped on the part surface. The air resistance property of the film is defined as permeability and is investigated in this thesis. A model was developed to evaluate the gas transport through the film and an experimental cell was implemented to characterize various commercial films. Understanding and characterizing the transport phenomena through the film allows optimization of the bagging material for various manufacturing processes. Spray-on-Bag is a scalable alternative bagging method compared to standard films. The approach allows in-situ fabrication of the bag on large and complex geometry structures where optimization of the bag properties can be varied on a local level. An experimental setup was developed and implemented using a six axis robot and an automated spraying system. Experiments were performed on a flat surface and specimens were characterized and compared to conventional films. Air barrier properties were within range of standard film approaches showing the potential to fabricate net shape bagging structures in an automated process.
Kinoshita, H.; Lo, G.Q.; Kwong, D.L. ); Novak, S. )
1993-01-01
Accurate modeling of the enhanced diffusion of boron during rapid thermal annealing has been accomplished by incorporating the effects of extended defect formation and annealing on enhanced diffusion into a multizone, semiempirical model. The multizone model divides the implant profile into three zones defining regions of different defects and diffusion enhancements. The model also contains the initial enhanced diffusion and the transient diffusion effects associated with the dissolution of defect clusters and the annealing of extended defects, respectively. The saturation time for transient-enhanced diffusion contains an exponential function of implant dose in order to model the increase in point defect generated with higher implant dose. As a result, the model accurately simulates the boron diffusion profile over a wide range of implant doses and also shows the immobile boron peak of precipitated dopants produced during high dose implantation.
The dynamics of multimodal integration: The averaging diffusion model.
Turner, Brandon M; Gao, Juan; Koenig, Scott; Palfy, Dylan; L McClelland, James
2017-03-08
We combine extant theories of evidence accumulation and multi-modal integration to develop an integrated framework for modeling multimodal integration as a process that unfolds in real time. Many studies have formulated sensory processing as a dynamic process where noisy samples of evidence are accumulated until a decision is made. However, these studies are often limited to a single sensory modality. Studies of multimodal stimulus integration have focused on how best to combine different sources of information to elicit a judgment. These studies are often limited to a single time point, typically after the integration process has occurred. We address these limitations by combining the two approaches. Experimentally, we present data that allow us to study the time course of evidence accumulation within each of the visual and auditory domains as well as in a bimodal condition. Theoretically, we develop a new Averaging Diffusion Model in which the decision variable is the mean rather than the sum of evidence samples and use it as a base for comparing three alternative models of multimodal integration, allowing us to assess the optimality of this integration. The outcome reveals rich individual differences in multimodal integration: while some subjects' data are consistent with adaptive optimal integration, reweighting sources of evidence as their relative reliability changes during evidence integration, others exhibit patterns inconsistent with optimality.
A reaction-diffusion model for long bones growth.
Garzón-Alvarado, D A; García-Aznar, J M; Doblaré, M
2009-10-01
Bone development is characterized by differentiation and growth of chondrocytes from the proliferation zone to the hypertrophying one. These two cellular processes are controlled by a complex signalling regulatory loop between different biochemical signals, whose production depends on the current cell density, constituting a coupled cell-chemical system. In this work, a mathematical model of the process of early bone growth is presented, extending and generalizing other earlier approaches on the same topic. A reaction-diffusion regulatory loop between two chemical factors: parathyroid hormone-related peptide (PTHrP) and Indian hedgehog (Ihh) is hypothesized, where PTHrP is activated by Ihh and inhibits Ihh production. Chondrocytes proliferation and hypertrophy are described by means of population equations being both regulated by the PTHrP and Ihh concentrations. In the initial stage of bone growth, these two cellular proceses are considered to be directionally dependent, modelling the well known column cell formation, characteristic of endochondral ossification. This coupled set of equations is solved within a finite element framework, getting an estimation of the chondrocytes spatial distribution, growth of the diaphysis and formation of the epiphysis of a long bone. The results obtained are qualitatively similar to the actual physiological ones and quantitatively close to some available experimental data. Finally, this extended approach allows finding important relations between the model parameters to get stability of the physiological process and getting additional insight on the spatial and directional distribution of cells and paracrine factors.
Localizing Sources of Brain Disease Progression with Network Diffusion Model.
Hu, Chenhui; Hua, Xue; Ying, Jun; Thompson, Paul M; Fakhri, Georges E; Li, Quanzheng
2016-10-01
Pinpointing the sources of dementia is crucial to the effective treatment of neurodegenerative diseases. In this paper, we propose a diffusion model with impulsive sources over the brain connectivity network to model the progression of brain atrophy. To reliably estimate the atrophy sources, we impose sparse regularization on the source distribution and solve the inverse problem with an efficient gradient descent method. We localize the possible origins of Alzheimer's disease (AD) based on a large set of repeated magnetic resonance imaging (MRI) scans in Alzheimer's Disease Neuroimaging Initiative (ADNI) database. The distribution of the sources averaged over the sample population is evaluated. We find that the dementia sources have different concentrations in the brain lobes for AD patients and mild cognitive impairment (MCI) subjects, indicating possible switch of the dementia driving mechanism. Moreover, we demonstrate that we can effectively predict changes of brain atrophy patterns with the proposed model. Our work could help understand the dynamics and origin of dementia, as well as monitor the progression of the diseases in an early stage.
NASA Astrophysics Data System (ADS)
Shilpakar, P.; Oldow, J. S.
2015-12-01
Morphological dating of fault scarps has the potential to provide a fast and cost-effective means of determining the spatial and temporal pattern of paleo-seismic events over broad regions. Scarp-morphology dating algorithms are based on diffusion degradation relations but have not been adequately calibrated for sensitivity or repeatability. Using Terrestrial Laser Scanner (TLS) images to characterize geomorphic surfaces at centimeter scale, we characterize fault scarps of known and differing ages ( 20 to 13,500 years) to evaluate the applicability of morphology-degradation models in estimating ages of fault scarps. We acquired TLS images of five Quaternary fault scarp surfaces formed in unconsolidated sediments in different parts of the western Basin and Range in western Nevada and southeastern California. Diffusion models assess the initial and final configuration of a scarp to yield the product of a diffusivity constant (K) and the scarp age (T). With known T we can solve for K and vice versa. Our sensitivity analysis of the diffusion models demonstrate that small variations in the measurable parameters such as maximum slope angle (θ), far field slope angle (α), and surface offset (d) can produce large variations in the calculated age of scarp formation. Even a 0.5° uncertainty in the value of θ or α will cause 10 to 20 percent variability in K, and a 25 cm uncertainty in d will make a 20 percent difference in calculated K. This uncertainty in K value will yield ± 3000 year variation in the estimated scarp age. Using 10 cm resolution digital elevation models of fault scarps acquired with TLS, we best fit profiles and digitally measure the geometric parameters. The ages of the scarps are known via historical records or through age brackets establish in trenching studies. Using the known ages and the modeled morphology, we compute K for the various scarps formed in similarly material and environments. Estimates of K range from 1.57 m2/kyr to 13.74 m2/kyr and
Modeling of particulate carbon and species formation in coflowing diffusion flames of ethylene
D'Anna, A.; Kent, J.H.
2006-01-01
A model of species and particulate formation in laminar diffusion flames is presented. The kinetic model is based on the chemistry of fuel oxidation and pyrolysis, the formation of aromatics and their growth into particle nuclei, particle growth by surface reactions, coagulation, and finally particle oxidation. A sectional model is used for the particle phase. The sectional method divides the particle mass range into classes of species each with a rate equation for surface growth, coagulation, and oxidation. An inception model links the gas-phase mechanism with the smallest particle section. Predictions are compared with experimental data in two laminar coflowing diffusion flames of ethylene for which experimental profiles of stable species, aromatic compounds, high-molecular-mass precursor species, and soot are available. The predictions show good agreement with data for total particulates, defined as the sum of soot plus nano-organic carbon particles. The model has a continuous size distribution and is able to address nanoparticles which comprise a significant part of the total particle loading. A conclusion from the sensitivity analysis is that the inception process, the molecular growth process by aromatic addition on particle nuclei, and surface addition of C{sub 2}H{sub 2} all play important roles which need to be studied in greater detail to predict the right size distribution and volume fraction of particulates formed in flames.
Random walks models with intermediate fractional diffusion asymptotics
NASA Astrophysics Data System (ADS)
Saichev, Alexander I.; Utkin, Sergei G.
2004-05-01
Random walk process was investigated with PDF of random time intervals similar to fractional exponential law on small times and to regular exponential law on long times. Generalized fractional Kolmogorov-Feller equation was derived for such kind of process. Asymptotics of its PDF in the long time limit and for intermediate times were found. They obey standard diffusion law or fractional diffusion law respectively. Exact solutions of mentioned equations were numerically calculated, demonstrating crossover of fractional diffusion law into the linear one.
Performance of a TKE diffusion scheme in ECMWF IFS Single Column Model
NASA Astrophysics Data System (ADS)
Svensson, Jacob; Bazile, Eric; Sandu, Irina; Svensson, Gunilla
2015-04-01
Numerical Weather Prediction models (NWP) as well as climate models are used for decision making on all levels in society and their performance and accuracy are of great importance for both economical and safety reasons. Today's extensive use of weather apps and websites that directly uses model output even more highlights the importance of realistic output parameters. The turbulent atmospheric boundary layer (ABL) includes many physical processes which occur on a subgrid scale and need to be parameterized. As the absolute major part of the biosphere is located in the ABL, it is of great importance that these subgrid processes are parametrized so that they give realistic values of e.g. temperature and wind on the levels close to the surface. GEWEX (Global Energy and Water Exchange Project) Atmospheric Boundary Layer Study (GABLS), has the overall objective to improve the understanding and the representation of the atmospheric boundary layers in climate models. The study has pointed out that there is a need for a better understanding and representation of stable atmospheric boundary layers (SBL). Therefore four test cases have been designed to highlight the performance of and differences between a number of climate models and NWP:s in SBL. In the experiments, most global NWP and climate models have shown to be too diffusive in stable conditions and thus give too weak temperature gradients, too strong momentum mixing and too weak ageostrophic Ekman flow. The reason for this is that the models need enhanced diffusion to create enough friction for the large scale weather systems, which otherwise would be too fast and too active. In the GABLS test cases, turbulence schemes that use Turbulent Kinetic Energy (TKE) have shown to be more skilful than schemes that only use stability and gradients. TKE as a prognostic variable allows for advection both vertically and horizontally and gives a "memory" from previous time steps. Therefore, e.g. the ECMWF-GABLS workshop in 2011
NASA Astrophysics Data System (ADS)
Debure, Mathieu; De Windt, Laurent; Frugier, Pierre; Gin, Stéphane
2013-11-01
The influence of diffusion of reactive species in aqueous solutions on the alteration rate of borosilicate glass of nuclear interest in the presence of magnesium carbonate (hydromagnesite: 4MgCO3·Mg(OH)2·4H2O) is investigated together with the ability of coupled chemistry/transport models to simulate the processes involved. Diffusion cells in which the solids are separated by an inert stainless steel sintered filter were used to establish parameters for direct comparison with batch experiments in which solids are intimately mixed. The chemistry of the solution and solid phases was monitored over time by various analytical techniques including ICP-AES, XRD, and SEM. The primary mechanism controlling the geochemical evolution of the system remains the consumption of silicon from the glass by precipitation of magnesium silicates. The solution chemistry and the dissolution and precipitation of solid phases are correctly described by 2D modeling with the GRAAL model implemented in the HYTEC reactive transport code. The spatial symmetry of the boron concentrations in both compartments of the cells results from dissolution coupled with simple diffusion, whereas the spatial asymmetry of the silicon and magnesium concentrations is due to strong coupling between dissolution, diffusion, and precipitation of secondary phases. A sensitivity analysis on the modeling of glass alteration shows that the choice of these phases and their thermodynamic constants have only a moderate impact whereas the thickness of the filter has a greater barrier effect.
Capone, Florinda; De Cataldis, Valentina; De Luca, Roberta
2015-11-01
A reaction-diffusion system modeling cholera epidemic in a non-homogeneously mixed population is introduced. The interaction between population and toxigenic Vibrio cholerae concentration in contaminated water has been taken into account. The existence of biologically meaningful equilibria is investigated together with their linear and nonlinear stability. Using the data collected during the Haiti cholera epidemic, a numerical simulation is performed.
A Simple Model of Nonlinear Diffusive Shock Acceleration
NASA Astrophysics Data System (ADS)
Berezhko, E. G.; Ellison, Donald C.
1999-11-01
We present a simple model of nonlinear diffusive shock acceleration (also called first-order Fermi shock acceleration) that determines the shock modification, spectrum, and efficiency of the process in the plane-wave, steady state approximation as a function of an arbitrary injection parameter, η. The model, which uses a three-power-law form for the accelerated particle spectrum and contains only simple algebraic equations, includes the essential elements of the full nonlinear model and has been tested against Monte Carlo and numerical kinetic shock models. We include both adiabatic and Alfvén wave heating of the upstream precursor. The simplicity and ease of calculation make this model useful for studying the basic properties of nonlinear shock acceleration, as well as providing results accurate enough for many astrophysical applications. It is shown that the shock properties depend upon the shock speed u0 with respect to a critical value u*0~ηp1/4max, which is a function of the injection rate η and maximum accelerated particle momentum pmax. For u0MA0, or by rtot~1.5M3/8A0 in the opposite case (MS0 is the sonic Mach number and MA0 is the Alfvén Mach number). If u0>u*0, the shock, although still strong, becomes almost unmodified and accelerated particle production decreases inversely proportional to u0.
Hybrid approaches for multiple-species stochastic reaction-diffusion models
NASA Astrophysics Data System (ADS)
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen
2015-10-01
Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.
Hybrid approaches for multiple-species stochastic reaction–diffusion models
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K.; Byrne, Helen
2015-01-01
Reaction–diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction–diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model. PMID:26478601
Hybrid approaches for multiple-species stochastic reaction-diffusion models.
Spill, Fabian; Guerrero, Pilar; Alarcon, Tomas; Maini, Philip K; Byrne, Helen
2015-10-15
Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction-diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model.
Diffusion Models of the Flanker Task: Discrete versus Gradual Attentional Selection
ERIC Educational Resources Information Center
White, Corey N.; Ratcliff, Roger; Starns, Jeffrey J.
2011-01-01
The present study tested diffusion models of processing in the flanker task, in which participants identify a target that is flanked by items that indicate the same (congruent) or opposite response (incongruent). Single- and dual-process flanker models were implemented in a diffusion-model framework and tested against data from experiments that…
Diffusion Models of the Flanker Task: Discrete versus Gradual Attentional Selection
ERIC Educational Resources Information Center
White, Corey N.; Ratcliff, Roger; Starns, Jeffrey J.
2011-01-01
The present study tested diffusion models of processing in the flanker task, in which participants identify a target that is flanked by items that indicate the same (congruent) or opposite response (incongruent). Single- and dual-process flanker models were implemented in a diffusion-model framework and tested against data from experiments that…
NASA Astrophysics Data System (ADS)
Wang, Hsin; Porter, Wallace D.; Böttner, Harald; König, Jan; Chen, Lidong; Bai, Shengqiang; Tritt, Terry M.; Mayolet, Alex; Senawiratne, Jayantha; Smith, Charlene; Harris, Fred; Gilbert, Patricia; Sharp, Jeff; Lo, Jason; Kleinke, Holger; Kiss, Laszlo
2013-06-01
For bulk thermoelectrics, improvement of the figure of merit ZT to above 2 from the current values of 1.0 to 1.5 would enhance their competitiveness with alternative technologies. In recent years, the most significant improvements in ZT have mainly been due to successful reduction of thermal conductivity. However, thermal conductivity is difficult to measure directly at high temperatures. Combined measurements of thermal diffusivity, specific heat, and mass density are a widely used alternative to direct measurement of thermal conductivity. In this work, thermal conductivity is shown to be the factor in the calculation of ZT with the greatest measurement uncertainty. The International Energy Agency (IEA) group, under the implementing agreement for Advanced Materials for Transportation (AMT), has conducted two international round-robins since 2009. This paper, part II of our report on the international round-robin testing of transport properties of bulk bismuth telluride, focuses on thermal diffusivity, specific heat, and thermal conductivity measurements.
Antideuteron fluxes from dark matter annihilation in diffusion models
Donato, F.; Fornengo, N.; Maurin, D.
2008-08-15
Antideuterons are among the most promising galactic cosmic-ray-related targets for dark matter indirect detection. Currently only upper limits exist on the flux, but the development of new experiments, such as GAPS and AMS-02, provides exciting perspectives for a positive measurement in the near future. In this paper, we present a novel and updated calculation of both the secondary and primary d fluxes. We employ a two-zone diffusion model which successfully reproduces cosmic-ray nuclear data and the observed antiproton flux. We review the nuclear and astrophysical uncertainties and provide an up to date secondary (i.e. background) antideuteron flux. The primary (i.e. signal) contribution is calculated for generic weakly interactive massive particles (WIMPs) annihilating in the galactic halo: we explicitly consider and quantify the various sources of uncertainty in the theoretical evaluations. Propagation uncertainties, as is the case of antiprotons, are sizeable. Nevertheless, antideuterons offer an exciting target for indirect dark matter detection for low and intermediate mass WIMP dark matter. We then show the reaching capabilities of the future experiments for neutralino dark matter in a variety of supersymmetric models.
A diffuse interface model of grain boundary faceting
NASA Astrophysics Data System (ADS)
Abdeljawad, Fadi; Medlin, Douglas; Zimmerman, Jonathan; Hattar, Khalid; Foiles, Stephen
Incorporating anisotropy into thermodynamic treatments of interfaces dates back to over a century ago. For a given orientation of two abutting grains in a pure metal, depressions in the grain boundary (GB) energy may exist as a function of GB inclination, defined by the plane normal. Therefore, an initially flat GB may facet resulting in a hill-and-valley structure. Herein, we present a diffuse interface model of GB faceting that is capable of capturing anisotropic GB energies and mobilities, and accounting for the excess energy due to facet junctions and their non-local interactions. The hallmark of our approach is the ability to independently examine the role of each of the interface properties on the faceting behavior. As a demonstration, we consider the Σ 5 < 001 > tilt GB in iron, where faceting along the { 310 } and { 210 } planes was experimentally observed. Linear stability analysis and numerical examples highlight the role of junction energy and associated non-local interactions on the resulting facet length scales. On the whole, our modeling approach provides a general framework to examine the spatio-temporal evolution of highly anisotropic GBs in polycrystalline metals. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.
Xu, Boyan; Gong, Gaolang; Fan, Yang; Wu, Bing; Gao, Jia-Hong
2017-10-01
Anisotropic diffusion in the nervous system is most commonly modeled by apparent diffusion tensor, which is based on regular diffusion theory. However, the departure of diffusion-induced signal attenuation from a mono-exponential form implies that there is anomalous diffusion. Recently, a novel diffusion NMR theory based on the fractional motion (FM) model, which is an anomalous diffusion model, has been proposed. While the FM model has been applied to both healthy subjects and tumor patients, its anisotropy in the nervous system remains elusive. In this study, this issue was addressed by measuring the FM-related parameters in 12 non-collinear directions. A metric to quantify the directional deviation was derived. Furthermore, the FM-related parameters were modeled as tensors and analyzed in analogy with the conventional diffusion tensor imaging (DTI). Experimental results, which were obtained for 15 healthy subjects at 3T, exhibited pronounced anisotropy of the FM-related parameters, although the effects were smaller than the apparent diffusion coefficient (ADC). The tensorial nature for α, which is the Noah exponent in the FM model, showed behavior similar to the ADC, especially the principal eigenvector for α aligned with the dominant white matter fiber directions. The Hurst exponent H in the FM model, however, showed no correlation with the major fiber directions. The anisotropy of the FM model may provide complementary information to DTI and may have potential for tractography and detecting brain abnormalities. Copyright © 2017 Elsevier Inc. All rights reserved.
Ndanou, S. Favrie, N. Gavrilyuk, S.
2015-08-15
We extend the model of diffuse solid–fluid interfaces developed earlier by authors of this paper to the case of arbitrary number of interacting hyperelastic solids. Plastic transformations of solids are taken into account through a Maxwell type model. The specific energy of each solid is given in separable form: it is the sum of a hydrodynamic part of the energy depending only on the density and the entropy, and an elastic part of the energy which is unaffected by the volume change. It allows us to naturally pass to the fluid description in the limit of vanishing shear modulus. In spite of a large number of governing equations, the model has a quite simple mathematical structure: it is a duplication of a single visco-elastic model. The model is well posed both mathematically and thermodynamically: it is hyperbolic and compatible with the second law of thermodynamics. The resulting model can be applied in the situations involving an arbitrary number of fluids and solids. In particular, we show the ability of the model to describe spallation and penetration phenomena occurring during high velocity impacts.
Subgrid models for mass and thermal diffusion in turbulent mixing
Sharp, David H; Lim, Hyunkyung; Li, Xiao - Lin; Gilmm, James G
2008-01-01
We are concerned with the chaotic flow fields of turbulent mixing. Chaotic flow is found in an extreme form in multiply shocked Richtmyer-Meshkov unstable flows. The goal of a converged simulation for this problem is twofold: to obtain converged solutions for macro solution features, such as the trajectories of the principal shock waves, mixing zone edges, and mean densities and velocities within each phase, and also for such micro solution features as the joint probability distributions of the temperature and species concentration. We introduce parameterized subgrid models of mass and thermal diffusion, to define large eddy simulations (LES) that replicate the micro features observed in the direct numerical simulation (DNS). The Schmidt numbers and Prandtl numbers are chosen to represent typical liquid, gas and plasma parameter values. Our main result is to explore the variation of the Schmidt, Prandtl and Reynolds numbers by three orders of magnitude, and the mesh by a factor of 8 per linear dimension (up to 3200 cells per dimension), to allow exploration of both DNS and LES regimes and verification of the simulations for both macro and micro observables. We find mesh convergence for key properties describing the molecular level of mixing, including chemical reaction rates between the distinct fluid species. We find results nearly independent of Reynolds number for Re 300, 6000, 600K . Methodologically, the results are also new. In common with the shock capturing community, we allow and maintain sharp solution gradients, and we enhance these gradients through use of front tracking. In common with the turbulence modeling community, we include subgrid scale models with no adjustable parameters for LES. To the authors' knowledge, these two methodologies have not been previously combined. In contrast to both of these methodologies, our use of Front Tracking, with DNS or LES resolution of the momentum equation at or near the Kolmogorov scale, but without resolving the
12 CFR Appendix A to Part 704 - Model Forms
Code of Federal Regulations, 2011 CFR
2011-01-01
... 12 Banks and Banking 6 2011-01-01 2011-01-01 false Model Forms A Appendix A to Part 704 Banks and... Pt. 704, App. A Appendix A to Part 704—Model Forms This appendix contains sample forms intended for... Prioritization and Model Forms Part I—Optional Capital Prioritization Notwithstanding any other provision in this...
Perceptual decision making: drift-diffusion model is equivalent to a Bayesian model
Bitzer, Sebastian; Park, Hame; Blankenburg, Felix; Kiebel, Stefan J.
2014-01-01
Behavioral data obtained with perceptual decision making experiments are typically analyzed with the drift-diffusion model. This parsimonious model accumulates noisy pieces of evidence toward a decision bound to explain the accuracy and reaction times of subjects. Recently, Bayesian models have been proposed to explain how the brain extracts information from noisy input as typically presented in perceptual decision making tasks. It has long been known that the drift-diffusion model is tightly linked with such functional Bayesian models but the precise relationship of the two mechanisms was never made explicit. Using a Bayesian model, we derived the equations which relate parameter values between these models. In practice we show that this equivalence is useful when fitting multi-subject data. We further show that the Bayesian model suggests different decision variables which all predict equal responses and discuss how these may be discriminated based on neural correlates of accumulated evidence. In addition, we discuss extensions to the Bayesian model which would be difficult to derive for the drift-diffusion model. We suggest that these and other extensions may be highly useful for deriving new experiments which test novel hypotheses. PMID:24616689
Simulating Radiotherapy Effect in High-Grade Glioma by Using Diffusive Modeling and Brain Atlases
Roniotis, Alexandros; Marias, Kostas; Sakkalis, Vangelis; Manikis, Georgios C.; Zervakis, Michalis
2012-01-01
Applying diffusive models for simulating the spatiotemporal change of concentration of tumour cells is a modern application of predictive oncology. Diffusive models are used for modelling glioblastoma, the most aggressive type of glioma. This paper presents the results of applying a linear quadratic model for simulating the effects of radiotherapy on an advanced diffusive glioma model. This diffusive model takes into consideration the heterogeneous velocity of glioma in gray and white matter and the anisotropic migration of tumor cells, which is facilitated along white fibers. This work uses normal brain atlases for extracting the proportions of white and gray matter and the diffusion tensors used for anisotropy. The paper also presents the results of applying this glioma model on real clinical datasets. PMID:23093856
Monte Carlo Modeling of Diffuse Scattering from Single Crystals: The Program ZMC
Goossens, D.J.; Heerdegen, A.P.; Chan, E.J.; Welberry, T.R.
2012-04-30
Diffuse scattering probes the local ordering in a crystal, whereas Bragg peaks are descriptive of the average long-range ordering. The population of local configurations can be explored by modeling the three-dimensional distribution of diffuse scattering. Local configurations are not constrained by the average crystallographic symmetry, so one way of modeling diffuse scattering is by modeling a disordered (short-range-ordered) structure and then calculating its diffuse scattering. The structure must contain enough unit cells to give a statistically valid model of the populations of local configurations, and so requirements for a program to model this ordering are very different from programs that model average crystal structures (used to fit the Bragg diffraction). ZMC is a program that has been developed to model diffuse scattering, particularly from molecular crystals. The strategies used to tackle the problem and the way in which they are implemented will be discussed.
Spatiotemporal Patterns Induced by Cross-Diffusion in a Three-Species Food Chain Model
NASA Astrophysics Data System (ADS)
Ma, Zhan-Ping; Li, Wan-Tong; Wang, Yu-Xia
This paper focuses on a three-species Lotka-Volterra food chain model with cross-diffusion under homogeneous Neumann boundary conditions. The known results indicate that no spatiotemporal patterns happen in the corresponding reaction-diffusion system. When some cross-diffusion terms are introduced in the system, the existence of nonconstant positive steady-states as well as the Hopf bifurcation is studied. Our result shows that cross-diffusion plays a crucial role in the formation of spatiotemporal patterns, that is, it can create not only stationary patterns but also spatially inhomogeneous periodic oscillatory patterns, which is a strong contrast to the case without cross-diffusion.
Model Complexity in Diffusion Modeling: Benefits of Making the Model More Parsimonious
Lerche, Veronika; Voss, Andreas
2016-01-01
The diffusion model (Ratcliff, 1978) takes into account the reaction time distributions of both correct and erroneous responses from binary decision tasks. This high degree of information usage allows the estimation of different parameters mapping cognitive components such as speed of information accumulation or decision bias. For three of the four main parameters (drift rate, starting point, and non-decision time) trial-to-trial variability is allowed. We investigated the influence of these variability parameters both drawing on simulation studies and on data from an empirical test-retest study using different optimization criteria and different trial numbers. Our results suggest that less complex models (fixing intertrial variabilities of the drift rate and the starting point at zero) can improve the estimation of the psychologically most interesting parameters (drift rate, threshold separation, starting point, and non-decision time). PMID:27679585
NASA Astrophysics Data System (ADS)
Verdecchia, K.; Diop, M.; St. Lawrence, K.
2015-03-01
Diffuse correlation spectroscopy (DCS) is a non-invasive optical technique capable of monitoring tissue perfusion changes, particularly in the brain. The normalized temporal intensity autocorrelation function generated by DCS is typically characterized by assuming that the movement of erythrocytes can be modeled as a Brownian diffusion-like process instead of the expected random flow model. Carp et al. [Biomedical Optics Express, 2011] proposed a hybrid model, referred to as the hydrodynamic diffusion model, to capture both the random ballistic and diffusive nature of erythrocyte motion. The purpose of this study was to compare how well the Brownian diffusion and the hydrodynamic diffusion models characterized DCS data acquired directly on the brain, avoiding the confounding effects of scalp and skull. Data were acquired from seven pigs during normocapnia (39.9 +/- 0.7 mmHg) and hypocapnia (22.1 +/- 1.6 mmHg) with the DCS fibers placed 7 mm apart, directly on the cerebral cortex. The hydrodynamic diffusion model was found to provide a consistently better fit to the autocorrelation functions compared to the Brownian diffusion model and was less sensitive to the chosen start and end time points used in the fitting. However, the decrease in cerebral blood flow from normocapnia to hypocapnia determined was similar for the two models (-42.6 +/- 8.6 % for the Brownian model and -42.2 +/- 10.2 % for the hydrodynamic model), suggesting that the latter is reasonable for monitoring flow changes.
Modeling boundary measurements of scattered light using the corrected diffusion approximation
Lehtikangas, Ossi; Tarvainen, Tanja; Kim, Arnold D.
2012-01-01
We study the modeling and simulation of steady-state measurements of light scattered by a turbid medium taken at the boundary. In particular, we implement the recently introduced corrected diffusion approximation in two spatial dimensions to model these boundary measurements. This implementation uses expansions in plane wave solutions to compute boundary conditions and the additive boundary layer correction, and a finite element method to solve the diffusion equation. We show that this corrected diffusion approximation models boundary measurements substantially better than the standard diffusion approximation in comparison to numerical solutions of the radiative transport equation. PMID:22435102
Modeling of Diffusion Based Correlations Between Heart Rate Modulations and Respiration Pattern
2001-10-25
1 of 4 MODELING OF DIFFUSION BASED CORRELATIONS BETWEEN HEART RATE MODULATIONS AND RESPIRATION PATTERN R.Langer,(1) Y.Smorzik,(2) S.Akselrod,(1...generations of the bronchial tree. The second stage describes the oxygen diffusion process from the pulmonary gas in the alveoli into the pulmonary...patterns (FRC, TV, rate). Keywords – Modeling, Diffusion , Heart Rate fluctuations I. INTRODUCTION Under a whole-body management perception, the
Reaction time in ankle movements: a diffusion model analysis
Michmizos, Konstantinos P.; Krebs, Hermano Igo
2015-01-01
Reaction time (RT) is one of the most commonly used measures of neurological function and dysfunction. Despite the extensive studies on it, no study has ever examined the RT in the ankle. Twenty-two subjects were recruited to perform simple, 2- and 4-choice RT tasks by visually guiding a cursor inside a rectangular target with their ankle. RT did not change with spatial accuracy constraints imposed by different target widths in the direction of the movement. RT increased as a linear function of potential target stimuli, as would be predicted by Hick–Hyman law. Although the slopes of the regressions were similar, the intercept in dorsal–plantar (DP) direction was significantly smaller than the intercept in inversion–eversion (IE) direction. To explain this difference, we used a hierarchical Bayesian estimation of the Ratcliff's (Psychol Rev 85:59, 1978) diffusion model parameters and divided processing time into cognitive components. The model gave a good account of RTs, their distribution and accuracy values, and hence provided a testimony that the non-decision processing time (overlap of posterior distributions between DP and IE < 0.045), the boundary separation (overlap of the posterior distributions < 0.1) and the evidence accumulation rate (overlap of the posterior distributions < 0.01) components of the RT accounted for the intercept difference between DP and IE. The model also proposed that there was no systematic change in non-decision processing time or drift rate when spatial accuracy constraints were altered. The results were in agreement with the memory drum hypothesis and could be further justified neurophysiologically by the larger innervation of the muscles controlling DP movements. This study might contribute to assessing deficits in sensorimotor control of the ankle and enlighten a possible target for correction in the framework of our on-going effort to develop robotic therapeutic interventions to the ankle of children with cerebral palsy
Developing A Laser Shockwave Model For Characterizing Diffusion Bonded Interfaces
James A. Smith; Jeffrey M. Lacy; Barry H. Rabin
2014-07-01
12. Other advances in QNDE and related topics: Preferred Session Laser-ultrasonics Developing A Laser Shockwave Model For Characterizing Diffusion Bonded Interfaces 41st Annual Review of Progress in Quantitative Nondestructive Evaluation Conference QNDE Conference July 20-25, 2014 Boise Centre 850 West Front Street Boise, Idaho 83702 James A. Smith, Jeffrey M. Lacy, Barry H. Rabin, Idaho National Laboratory, Idaho Falls, ID ABSTRACT: The US National Nuclear Security Agency has a Global Threat Reduction Initiative (GTRI) which is assigned with reducing the worldwide use of high-enriched uranium (HEU). A salient component of that initiative is the conversion of research reactors from HEU to low enriched uranium (LEU) fuels. An innovative fuel is being developed to replace HEU. The new LEU fuel is based on a monolithic fuel made from a U-Mo alloy foil encapsulated in Al-6061 cladding. In order to complete the fuel qualification process, the laser shock technique is being developed to characterize the clad-clad and fuel-clad interface strengths in fresh and irradiated fuel plates. The Laser Shockwave Technique (LST) is being investigated to characterize interface strength in fuel plates. LST is a non-contact method that uses lasers for the generation and detection of large amplitude acoustic waves to characterize interfaces in nuclear fuel plates. However the deposition of laser energy into the containment layer on specimen’s surface is intractably complex. The shock wave energy is inferred from the velocity on the backside and the depth of the impression left on the surface from the high pressure plasma pulse created by the shock laser. To help quantify the stresses and strengths at the interface, a finite element model is being developed and validated by comparing numerical and experimental results for back face velocities and front face depressions with experimental results. This paper will report on initial efforts to develop a finite element model for laser
Zhang, Guangwen; Wang, Shuangshuang; Wen, Didi; Zhang, Jing; Wei, Xiaocheng; Ma, Wanling; Zhao, Weiwei; Wang, Mian; Wu, Guosheng; Zhang, Jinsong
2016-01-01
Water molecular diffusion in vivo tissue is much more complicated. We aimed to compare non-Gaussian diffusion models of diffusion-weighted imaging (DWI) including intra-voxel incoherent motion (IVIM), stretched-exponential model (SEM) and Gaussian diffusion model at 3.0 T MRI in patients with rectal cancer, and to determine the optimal model for investigating the water diffusion properties and characterization of rectal carcinoma. Fifty-nine consecutive patients with pathologically confirmed rectal adenocarcinoma underwent DWI with 16 b-values at a 3.0 T MRI system. DWI signals were fitted to the mono-exponential and non-Gaussian diffusion models (IVIM-mono, IVIM-bi and SEM) on primary tumor and adjacent normal rectal tissue. Parameters of standard apparent diffusion coefficient (ADC), slow- and fast-ADC, fraction of fast ADC (f), α value and distributed diffusion coefficient (DDC) were generated and compared between the tumor and normal tissues. The SEM exhibited the best fitting results of actual DWI signal in rectal cancer and the normal rectal wall (R2 = 0.998, 0.999 respectively). The DDC achieved relatively high area under the curve (AUC = 0.980) in differentiating tumor from normal rectal wall. Non-Gaussian diffusion models could assess tissue properties more accurately than the ADC derived Gaussian diffusion model. SEM may be used as a potential optimal model for characterization of rectal cancer. PMID:27934928
Phantoms for diffuse optical imaging based on totally absorbing objects, part 1: Basic concepts.
Martelli, Fabrizio; Pifferi, Antonio; Contini, Davide; Spinelli, Lorenzo; Torricelli, Alessandro; Wabnitz, Heidrun; Macdonald, Rainer; Sassaroli, Angelo; Zaccanti, Giovanni
2013-06-01
The design of inhomogeneous phantoms for diffuse optical imaging purposes using totally absorbing objects embedded in a diffusive medium is proposed and validated. From time-resolved and continuous-wave Monte Carlo simulations, it is shown that a given or desired perturbation strength caused by a realistic absorbing inhomogeneity of a certain absorption and volume can be approximately mimicked by a small totally absorbing object of a so-called equivalent black volume (equivalence relation). This concept can be useful in two ways. First, it can be exploited to design realistic inhomogeneous phantoms with different perturbation strengths simply using a set of black objects with different volumes. Further, it permits one to grade physiological or pathological changes on a reproducible scale of perturbation strengths given as equivalent black volumes, thus facilitating the performance assessment of clinical instruments. A set of plots and interpolating functions to derive the equivalent black volume corresponding to a given absorption change is provided. The application of the equivalent black volume concept for grading different optical perturbations is demonstrated for some examples.
NASA Astrophysics Data System (ADS)
Poornesh, K. K.; Cho, C. D.; Lee, G. B.; Tak, Y. S.
In PEM fuel cell, gas-diffusion electrode (GDE) plays very significant role in force transmission from bipolar plate to the membrane. This paper investigates the effects of geometrical heterogeneities of gas-diffusion electrode layer (gas-diffusion layer (GDL) and catalyst layer (CL)) on mechanical damage evolution and propagation. We present a structural integrity principle of membrane electrode assembly (MEA) based on the interlayer stress transfer capacity and corresponding cell layer material response. Commonly observable damages such as rupture of hydrophobic coating and breakage of carbon fiber in gas-diffusion layer are attributed to the ductile to brittle phase transition within a single carbon fiber. Effect of material inhomogeneity on change in modulus, hardness, contact stiffness, and electrical contact resistance is also discussed. Fracture statistics of carbon fiber and variations in flexural strength of GDL are studied. The damage propagation in CL is perceived to be influenced by the type of gradation and the vicinity from which crack originates. Cohesive zone model has been proposed based on the traction-separation law to investigate the damage propagation throughout the two interfaces (carbon fiber/CL and CL/membrane).
An electrodynamics-based model for ion diffusion in microbial polysaccharides.
Liu, Chongxuan; Zachara, John M; Felmy, Andrew; Gorby, Yuri
2004-10-10
An electrodynamics-based model was formulated for simulation of ion diffusion in microbial polysaccharides. The fixed charges and electrostatic double layers that may associate with microbial polysaccharides and their effects on ion diffusion were explicitly built into the model. The model extends a common multicomponent ion diffusion formulation that is based on irreversible thermodynamics under a zero ionic charge flux condition, which is only applicable to the regions without fixed charges and electrostatic double layers. An efficient numerical procedure was presented to solve the differential equations in the model. The model well described key features of experimental observations of ion diffusion in negatively charged microbial polysaccharides including accelerated diffusive transport of cations, exclusion of anions, and increased rate of cation transport with increasing negative charge density. The simulated diffusive fluxes of cations and anions were consistent with a cation exchange diffusion concept in negatively charged polysaccharides at the interface of plant roots and soils; and the developed model allows to mathematically study such diffusion phenomena. An illustrative example was also provided to simulate dynamic behavior of ionic current during ion diffusion within a charged bacterial cell wall polysaccharide and the effects of the ionic current on the compression or expansion of the bacterial electrostatic double layer at the interface of the cell wall and bulk solution.
1983-03-01
UNCLASSIFIED N G SZYMCZAK ET AL. MAR 83 BN-i@82 F/G 12/1 NL I hhhhhhh EhhhhhhhhhhhE mhhhhomhhlhhhEIEEIEEEEEIlUso o.4 Q.8 L-A -J1 IIIII1 L MICROCOPY...AN ANALYSIS OF A FINITE ELEMENT METHOD FOR CONVECTION-DIFFUSION PROBLEMS PART II: A POSTERIORI ERROR ESTIMATES AND ADAPTIVITY by W. G. Szymczak Y 6a...ESTIMATES AND ADAPTIVITY 6. PERFORMING OR. REPORT NMBER 7. AUTNOR(e) S. CONTRACT OR GRANT NUM11CR’ s) W. G. Szymczak and I. Babu~ka ONR N00014-77-0623 S
Film rupture in the diffuse interface model coupled to hydrodynamics.
Thiele, U; Velarde, M G; Neuffer, K; Pomeau, Y
2001-09-01
The process of dewetting of a thin liquid film is usually described using a long-wave approximation yielding a single evolution equation for the film thickness. This equation incorporates an additional pressure term-the disjoining pressure-accounting for the molecular forces. Recently a disjoining pressure was derived coupling hydrodynamics to the diffuse interface model [L. M. Pismen and Y. Pomeau, Phys. Rev. E 62, 2480 (2000)]. Using the resulting evolution equation as a generic example for the evolution of unstable thin films, we examine the thickness ranges for linear instability and metastability for flat films, the families of stationary periodic and localized solutions, and their linear stability. The results are compared to simulations of the nonlinear time evolution. From this we conclude that, within the linearly unstable thickness range, there exists a well defined subrange where finite perturbations are crucial for the time evolution and the resulting structures. In the remainder of the linearly unstable thickness range the resulting structures are controlled by the fastest flat film mode assumed up to now for the entire linearly unstable thickness range. Finally, the implications for other forms of disjoining pressure in dewetting and for spinodal decomposition are discussed.
Y genetic data support the Neolithic demic diffusion model.
Chikhi, Lounes; Nichols, Richard A; Barbujani, Guido; Beaumont, Mark A
2002-08-20
There still is no general agreement on the origins of the European gene pool, even though Europe has been more thoroughly investigated than any other continent. In particular, there is continuing controversy about the relative contributions of European Palaeolithic hunter-gatherers and of migrant Near Eastern Neolithic farmers, who brought agriculture to Europe. Here, we apply a statistical framework that we have developed to obtain direct estimates of the contribution of these two groups at the time they met. We analyze a large dataset of 22 binary markers from the non-recombining region of the Y chromosome (NRY), by using a genealogical likelihood-based approach. The results reveal a significantly larger genetic contribution from Neolithic farmers than did previous indirect approaches based on the distribution of haplotypes selected by using post hoc criteria. We detect a significant decrease in admixture across the entire range between the Near East and Western Europe. We also argue that local hunter-gatherers contributed less than 30% in the original settlements. This finding leads us to reject a predominantly cultural transmission of agriculture. Instead, we argue that the demic diffusion model introduced by Ammerman and Cavalli-Sforza [Ammerman, A. J. & Cavalli-Sforza, L. L. (1984) The Neolithic Transition and the Genetics of Populations in Europe (Princeton Univ. Press, Princeton)] captures the major features of this dramatic episode in European prehistory.
A Model for Diffusion and Immobilization of Lithium in SiOC Nanocomposite Anodes
NASA Astrophysics Data System (ADS)
Stein, Peter; Vrankovic, Dragoljub; Graczyk-Zajac, Magdalena; Riedel, Ralf; Xu, Bai-Xiang
2017-09-01
In order to simulate the diffusion of Li ions in SiOC nanocomposites, we developed a reaction-diffusion model for multiphase materials. This model extends existing models for single-phase diffusion through consideration of the ion transport across material interfaces. In each phase, this model regards mobile and immobilized ions together with the irreversible trapping process. The behavior of material interfaces is incorporated using a Butler-Volmer reaction kinetics model. The model is verified using a simple two-phase benchmark on a square domain. Simulations of the coupled diffusion in a random microstructure show a stalling effect, whereby the immobilization process effectively stops the diffusion of mobile ions during the first stages of intercalation.
NASA Astrophysics Data System (ADS)
Mekkaoui, Imen; Moulin, Kevin; Croisille, Pierre; Pousin, Jerome; Viallon, Magalie
2016-08-01
Cardiac motion presents a major challenge in diffusion weighted MRI, often leading to large signal losses that necessitate repeated measurements. The diffusion process in the myocardium is difficult to investigate because of the unqualified sensitivity of diffusion measurements to cardiac motion. A rigorous mathematical formalism is introduced to quantify the effect of tissue motion in diffusion imaging. The presented mathematical model, based on the Bloch-Torrey equations, takes into account deformations according to the laws of continuum mechanics. Approximating this mathematical model by using finite elements method, numerical simulations can predict the sensitivity of the diffusion signal to cardiac motion. Different diffusion encoding schemes are considered and the diffusion weighted MR signals, computed numerically, are compared to available results in literature. Our numerical model can identify the existence of two time points in the cardiac cycle, at which the diffusion is unaffected by myocardial strain and cardiac motion. Of course, these time points depend on the type of diffusion encoding scheme. Our numerical results also show that the motion sensitivity of the diffusion sequence can be reduced by using either spin echo technique with acceleration motion compensation diffusion gradients or stimulated echo acquisition mode with unipolar and bipolar diffusion gradients.
Mekkaoui, Imen; Moulin, Kevin; Croisille, Pierre; Pousin, Jerome; Viallon, Magalie
2016-08-07
Cardiac motion presents a major challenge in diffusion weighted MRI, often leading to large signal losses that necessitate repeated measurements. The diffusion process in the myocardium is difficult to investigate because of the unqualified sensitivity of diffusion measurements to cardiac motion. A rigorous mathematical formalism is introduced to quantify the effect of tissue motion in diffusion imaging. The presented mathematical model, based on the Bloch-Torrey equations, takes into account deformations according to the laws of continuum mechanics. Approximating this mathematical model by using finite elements method, numerical simulations can predict the sensitivity of the diffusion signal to cardiac motion. Different diffusion encoding schemes are considered and the diffusion weighted MR signals, computed numerically, are compared to available results in literature. Our numerical model can identify the existence of two time points in the cardiac cycle, at which the diffusion is unaffected by myocardial strain and cardiac motion. Of course, these time points depend on the type of diffusion encoding scheme. Our numerical results also show that the motion sensitivity of the diffusion sequence can be reduced by using either spin echo technique with acceleration motion compensation diffusion gradients or stimulated echo acquisition mode with unipolar and bipolar diffusion gradients.
NASA Technical Reports Server (NTRS)
Allgood, Daniel C.; Graham, Jason S.; Ahuja, Vineet; Hosangadi, Ashvin
2008-01-01
Simulation technology can play an important role in rocket engine test facility design and development by assessing risks, providing analysis of dynamic pressure and thermal loads, identifying failure modes and predicting anomalous behavior of critical systems. Advanced numerical tools assume greater significance in supporting testing and design of high altitude testing facilities and plume induced testing environments of high thrust engines because of the greater inter-dependence and synergy in the functioning of the different sub-systems. This is especially true for facilities such as the proposed A-3 facility at NASA SSC because of a challenging operating envelope linked to variable throttle conditions at relatively low chamber pressures. Facility designs in this case will require a complex network of diffuser ducts, steam ejector trains, fast operating valves, cooling water systems and flow diverters that need to be characterized for steady state performance. In this paper, we will demonstrate with the use of CFD analyses s advanced capability to evaluate supersonic diffuser and steam ejector performance in a sub-scale A-3 facility at NASA Stennis Space Center (SSC) where extensive testing was performed. Furthermore, the focus in this paper relates to modeling of critical sub-systems and components used in facilities such as the A-3 facility. The work here will address deficiencies in empirical models and current CFD analyses that are used for design of supersonic diffusers/turning vanes/ejectors as well as analyses for confined plumes and venting processes. The primary areas that will be addressed are: (1) supersonic diffuser performance including analyses of thermal loads (2) accurate shock capturing in the diffuser duct; (3) effect of turning duct on the performance of the facility (4) prediction of mass flow rates and performance classification for steam ejectors (5) comparisons with test data from sub-scale diffuser testing and assessment of confidence
NASA Technical Reports Server (NTRS)
Allgood, Daniel C.; Graham, Jason S.; Ahuja, Vineet; Hosangadi, Ashvin
2010-01-01
Simulation technology can play an important role in rocket engine test facility design and development by assessing risks, providing analysis of dynamic pressure and thermal loads, identifying failure modes and predicting anomalous behavior of critical systems. Advanced numerical tools assume greater significance in supporting testing and design of high altitude testing facilities and plume induced testing environments of high thrust engines because of the greater inter-dependence and synergy in the functioning of the different sub-systems. This is especially true for facilities such as the proposed A-3 facility at NASA SSC because of a challenging operating envelope linked to variable throttle conditions at relatively low chamber pressures. Facility designs in this case will require a complex network of diffuser ducts, steam ejector trains, fast operating valves, cooling water systems and flow diverters that need to be characterized for steady state performance. In this paper, we will demonstrate with the use of CFD analyses s advanced capability to evaluate supersonic diffuser and steam ejector performance in a sub-scale A-3 facility at NASA Stennis Space Center (SSC) where extensive testing was performed. Furthermore, the focus in this paper relates to modeling of critical sub-systems and components used in facilities such as the A-3 facility. The work here will address deficiencies in empirical models and current CFD analyses that are used for design of supersonic diffusers/turning vanes/ejectors as well as analyses for confined plumes and venting processes. The primary areas that will be addressed are: (1) supersonic diffuser performance including analyses of thermal loads (2) accurate shock capturing in the diffuser duct; (3) effect of turning duct on the performance of the facility (4) prediction of mass flow rates and performance classification for steam ejectors (5) comparisons with test data from sub-scale diffuser testing and assessment of confidence
Baup, S; Wolbert, D; Laplanche, A
2002-10-01
Three pesticides (atrazine, bromoxynil and diuron) and two granular activated carbons are involved in equilibrium and kinetic adsorption experiments. Equilibrium is represented by Freundlich isotherm law and kinetic is described by the Homogeneous Surface Diffusion Model, based on external mass transfer and intraparticle surface diffusion. Equilibrium and long-term experiments are conducted to compare Powdered Activated Carbon and Granular Activated Carbon. These first investigations show that crushing GAC into PAC improves the accessibility of the adsorption sites without increasing the number of these sites. In a second part, kinetics experiments are carried out using a Differential Column Batch Reactor. Thanks to this experimental device, the external mass transfer coefficient k(f) is calculated from empirical correlation and the effect of external mass transfer on adsorption is likely to be minimized. In order to obtain the intraparticle surface diffusion coefficient D. for these pesticides, comparisons between experimental kinetic data and simulations are conducted and the best agreement leads to the Ds coefficient. This procedure appears to be an efficient way to acquire surface diffusion coefficients for the adsorption of pesticides onto GAC. Finally it points out the role of surface diffusivity in the adsorption rate. As a matter of fact, even if the amount of the target-compound that could be potentially adsorbed is really important, its surface diffusion coefficient may be small, so that its adsorption may not have enough contact time to be totally achieved.
A Numerical Model for Coupling of Neutron Diffusion and Thermomechanics in Fast Burst Reactors
Samet Y. Kadioglu; Dana A. Knoll; Cassiano De Oliveira
2008-11-01
We develop a numerical model for coupling of neutron diffusion adn termomechanics in order to stimulate transient behavior of a fast burst reactor. The problem involves solving a set of non-linear different equations which approximate neutron diffusion, temperature change, and material behavior. With this equation set we will model the transition from a supercritical to subcritical state and possible mechanical vibration.
Boundedness in a chemotaxis-haptotaxis model with nonlinear diffusion
NASA Astrophysics Data System (ADS)
Li, Yan; Lankeit, Johannes
2016-05-01
This article deals with an initial-boundary value problem for the coupled chemotaxis-haptotaxis system with nonlinear diffusion under homogeneous Neumann boundary conditions in a bounded smooth domain Ω \\subset {{{R}}n} , n = 2, 3, 4, where χ,ξ and μ are given nonnegative parameters. The diffusivity D(u) is assumed to satisfy D(u)≥slant δ {{u}m-1} for all u > 0 with some δ >0 . It is proved that for sufficiently regular initial data global bounded solutions exist whenever m>2-\\frac{2}{n} . For the case of non-degenerate diffusion (i.e. D(0) > 0) the solutions are classical; for the case of possibly degenerate diffusion (D(0)≥slant 0 ), the existence of bounded weak solutions is shown.
NASA Astrophysics Data System (ADS)
Ge, J.; Everett, M. E.; Weiss, C. J.
2012-12-01
A 2.5D finite difference (FD) frequency-domain modeling algorithm based on the theory of fractional diffusion of electromagnetic (EM) fields generated by a loop source lying above a fractured geological medium is addressed in this paper. The presence of fractures in the subsurface, usually containing highly conductive pore fluids, gives rise to spatially hierarchical flow paths of induced EM eddy currents. The diffusion of EM eddy currents in such formations is anomalous, generalizing the classical Gaussian process described by the conventional Maxwell equations. Based on the continuous time random walk (CTRW) theory, the diffusion of EM eddy currents in a rough medium is governed by the fractional Maxwell equations. Here, we model the EM response of a 2D subsurface containing fractured zones, with a 3D loop source, which results the so-called 2.5D model geometry. The governing equation in the frequency domain is converted using Fourier transform into k domain along the strike direction (along which the model conductivity doesn't vary). The resulting equation system is solved by the multifrontal massively parallel solver (MUMPS). The data obtained is then converted back to spatial domain and the time domain. We find excellent agreement between the FD and analytic solutions for a rough halfspace model. Then FD solutions are calculated for a 2D fault zone model with variable conductivity and roughness. We compare the results with responses from several classical models and explore the relationship between the roughness and the spatial density of the fracture distribution.
16 CFR Appendix A to Part 313 - Model Privacy Form
Code of Federal Regulations, 2014 CFR
2014-01-01
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12 CFR Appendix A to Part 40 - Model Privacy Form
Code of Federal Regulations, 2013 CFR
2013-01-01
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16 CFR Appendix A to Part 313 - Model Privacy Form
Code of Federal Regulations, 2012 CFR
2012-01-01
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16 CFR Appendix A to Part 313 - Model Privacy Form
Code of Federal Regulations, 2011 CFR
2011-01-01
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12 CFR Appendix A to Part 573 - Model Privacy Form
Code of Federal Regulations, 2011 CFR
2011-01-01
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12 CFR Appendix A to Part 40 - Model Privacy Form
Code of Federal Regulations, 2012 CFR
2012-01-01
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12 CFR Appendix A to Part 573 - Model Privacy Form
Code of Federal Regulations, 2013 CFR
2013-01-01
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12 CFR Appendix A to Part 573 - Model Privacy Form
Code of Federal Regulations, 2012 CFR
2012-01-01
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12 CFR Appendix A to Part 573 - Model Privacy Form
Code of Federal Regulations, 2014 CFR
2014-01-01
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12 CFR Appendix A to Part 40 - Model Privacy Form
Code of Federal Regulations, 2011 CFR
2011-01-01
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Code of Federal Regulations, 2013 CFR
2013-01-01
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Modeling Simple Driving Tasks with a One-Boundary Diffusion Model
Ratcliff, Roger; Strayer, David
2014-01-01
A one-boundary diffusion model was applied to the data from two experiments in which subjects were performing a simple simulated driving task. In the first experiment, the same subjects were tested on two driving tasks using a PC-based driving simulator and the psychomotor vigilance test (PVT). The diffusion model fit the response time (RT) distributions for each task and individual subject well. Model parameters were found to correlate across tasks which suggests common component processes were being tapped in the three tasks. The model was also fit to a distracted driving experiment of Cooper and Strayer (2008). Results showed that distraction altered performance by affecting the rate of evidence accumulation (drift rate) and/or increasing the boundary settings. This provides an interpretation of cognitive distraction whereby conversing on a cell phone diverts attention from the normal accumulation of information in the driving environment. PMID:24297620
Modeling simple driving tasks with a one-boundary diffusion model.
Ratcliff, Roger; Strayer, David
2014-06-01
A one-boundary diffusion model was applied to the data from two experiments in which subjects were performing a simple simulated driving task. In the first experiment, the same subjects were tested on two driving tasks using a PC-based driving simulator and the psychomotor vigilance test. The diffusion model fit the response time distributions for each task and individual subject well. Model parameters were found to correlate across tasks, which suggests that common component processes were being tapped in the three tasks. The model was also fit to a distracted driving experiment of Cooper and Strayer (Human Factors, 50, 893-902, 2008). Results showed that distraction altered performance by affecting the rate of evidence accumulation (drift rate) and/or increasing the boundary settings. This provides an interpretation of cognitive distraction whereby conversing on a cell phone diverts attention from the normal accumulation of information in the driving environment.
NASA Astrophysics Data System (ADS)
Wang, Xiping; Guo, Yan; Li, Baoguo; Wang, Xiyong; Ma, Yuntao
2006-07-01
Diffuse photosynthetically active radiation (DPAR) is important during overcast days and for plant parts shaded from the direct beam radiation. Simulation of DPAR interception by individual plant parts of a canopy, separately from direct beam photosynthetically active radiation (PAR), may give important insights into plant ecology. This paper presents a model to simulate the interception of DPAR in plant canopies. A sub-model of a virtual maize canopy was reconstructed. Plant surfaces were represented as small triangular facets positioned according to three-dimensionally (3D) digitized data collected in the field. Then a second sub-model to simulate the 3D DPAR distribution in the canopy was developed by dividing the sky hemisphere into a grid of fine cells that allowed for the anisotropic distribution of DPAR over the sky hemisphere. This model, DSHP (Dividing Sky Hemisphere with Projecting), simulates which DSH (Divided Sky Hemisphere) cells are directly visible from a facet in the virtual canopy, i.e. not obscured by other facets. The DPAR reaching the center of a facet was calculated by summing the amounts of DPAR present in every DSH cell. The distribution of DPAR in a canopy was obtained from the calculated DPARs intercepted by all facets in the canopy. This DSHP model was validated against DPAR measurements made in an actual maize ( Zea mays L.) canopy over selected days during the early filling stage. The simulated and measured DPAR at different canopy depths showed a good agreement with a R 2 equaling 0.78 ( n=120).
NASA Astrophysics Data System (ADS)
Dharmawan, Komang
2017-03-01
It has been claimed in many literatures that the prices of some agriculture commodities tend to follow mean reversion. However, when dealing with the prices of agriculture commodities, is mean-reversion realistic enough without incorporating seasonality and jump diffusion? This research tries to answer the question. The combination between mean-reversion feature, jump and seasonal components are applied to model the behavior of agriculture commodity prices. A jump and seasonal components are added to the standard mean-reverting process in order to reproduce the spiky or jump behaviors. This model has been well applied on simulating the electricity prices but it has not been applied to investigate the behavior of agriculture commodity prices yet. This paper discusses the performance of the model when it is used to price European call options. First, the deterministic seasonality part is calibrated using the least square method. The second stage is to calibrate the stochastic part based on historical prices. The parameters are calibrated by discretizing the model. Hence, the discretized model allows us to perform Monte Carlo simulation on the commodity price under real-word probability. The analysis is conducted using 2 future price of Crude Palm Oil and Coffee Bean on standard payoff functions, a Basket, a Spread, Best of Call, and Worst of Call Options.
[A study of brain inner tissue water molecule self-diffusion model based on Monte Carlo simulation].
Wu, Zhanxiong; Zhu, Shanan; Bin, He
2010-06-01
The study of water molecule self-diffusion process is of importance not only for getting anatomical information of brain inner tissue, but also for shedding light on the diffusion process of some medicine in brain tissue. In this paper, we summarized the self-diffusion model of water molecule in brain inner tissue, and calculated the self-diffusion coefficient based on Monte Carlo simulation under different conditions. The comparison between this result and that of Latour model showed that the two self-diffusion coefficients were getting closer when the diffusion time became longer, and that the Latour model was a long time-depended self-diffusion model.
The development of a through-diffusion model with a parent-daughter decay chain.
Chen, Chin-Lung; Wang, Tsing-Hai; Lee, Ching-Hor; Teng, Shi-Ping
2012-09-01
A valid performance assessment of radioactive waste repositories strongly depends on the reliability of nuclide transport parameters, including distribution and diffusion coefficients. To reduce the waste produced and time spent conducting diffusion experiments, a robust model is required to accurately interpret the experiment results. Therefore, we developed a through-diffusion model with parent-daughter nuclide decay chain. We validated our model through comparisons with the Moridis model (Moridis, 1999) and Bharat model (Bharat et al., 2009), assessing our model and these two models using the distribution of parent nuclide concentrations. This strongly supports the rationality and functionality of extending our proposed model to daughter nuclides. In this study, we derived analytical solutions for the parent nuclides of the through-diffusion experiment using the multicompartment (MC) model. We also propose a simplified formula for estimating the apparent diffusion coefficient of parent nuclides based on the analytical solutions. Through numerical experiments, we verified the feasibility of the formula. Our models are useful for determining the apparent diffusion coefficient of daughter nuclides when conducting through-diffusion experiments with parent-daughter nuclide decay chains. Additionally, the proposed models offer the advantages of saving time and reducing experimental waste. Copyright © 2012 Elsevier B.V. All rights reserved.
Diffusion-controlled reactions modeling in Geant4-DNA
NASA Astrophysics Data System (ADS)
Karamitros, M.; Luan, S.; Bernal, M. A.; Allison, J.; Baldacchino, G.; Davidkova, M.; Francis, Z.; Friedland, W.; Ivantchenko, V.; Ivantchenko, A.; Mantero, A.; Nieminem, P.; Santin, G.; Tran, H. N.; Stepan, V.; Incerti, S.
2014-10-01
Context Under irradiation, a biological system undergoes a cascade of chemical reactions that can lead to an alteration of its normal operation. There are different types of radiation and many competing reactions. As a result the kinetics of chemical species is extremely complex. The simulation becomes then a powerful tool which, by describing the basic principles of chemical reactions, can reveal the dynamics of the macroscopic system. To understand the dynamics of biological systems under radiation, since the 80s there have been on-going efforts carried out by several research groups to establish a mechanistic model that consists in describing all the physical, chemical and biological phenomena following the irradiation of single cells. This approach is generally divided into a succession of stages that follow each other in time: (1) the physical stage, where the ionizing particles interact directly with the biological material; (2) the physico-chemical stage, where the targeted molecules release their energy by dissociating, creating new chemical species; (3) the chemical stage, where the new chemical species interact with each other or with the biomolecules; (4) the biological stage, where the repairing mechanisms of the cell come into play. This article focuses on the modeling of the chemical stage. Method This article presents a general method of speeding-up chemical reaction simulations in fluids based on the Smoluchowski equation and Monte-Carlo methods, where all molecules are explicitly simulated and the solvent is treated as a continuum. The model describes diffusion-controlled reactions. This method has been implemented in Geant4-DNA. The keys to the new algorithm include: (1) the combination of a method to compute time steps dynamically with a Brownian bridge process to account for chemical reactions, which avoids costly fixed time step simulations; (2) a k-d tree data structure for quickly locating, for a given molecule, its closest reactants. The
Diffusion-controlled reactions modeling in Geant4-DNA
Karamitros, M.; Luan, S.; Bernal, M.A.; Allison, J.; Baldacchino, G.; Davidkova, M.; Francis, Z.; Friedland, W.; Ivantchenko, V.; Ivantchenko, A.; Mantero, A.; Nieminem, P.; Santin, G.; Tran, H.N.; Stepan, V.; Incerti, S.
2014-10-01
Context Under irradiation, a biological system undergoes a cascade of chemical reactions that can lead to an alteration of its normal operation. There are different types of radiation and many competing reactions. As a result the kinetics of chemical species is extremely complex. The simulation becomes then a powerful tool which, by describing the basic principles of chemical reactions, can reveal the dynamics of the macroscopic system. To understand the dynamics of biological systems under radiation, since the 80s there have been on-going efforts carried out by several research groups to establish a mechanistic model that consists in describing all the physical, chemical and biological phenomena following the irradiation of single cells. This approach is generally divided into a succession of stages that follow each other in time: (1) the physical stage, where the ionizing particles interact directly with the biological material; (2) the physico-chemical stage, where the targeted molecules release their energy by dissociating, creating new chemical species; (3) the chemical stage, where the new chemical species interact with each other or with the biomolecules; (4) the biological stage, where the repairing mechanisms of the cell come into play. This article focuses on the modeling of the chemical stage. Method This article presents a general method of speeding-up chemical reaction simulations in fluids based on the Smoluchowski equation and Monte-Carlo methods, where all molecules are explicitly simulated and the solvent is treated as a continuum. The model describes diffusion-controlled reactions. This method has been implemented in Geant4-DNA. The keys to the new algorithm include: (1) the combination of a method to compute time steps dynamically with a Brownian bridge process to account for chemical reactions, which avoids costly fixed time step simulations; (2) a k–d tree data structure for quickly locating, for a given molecule, its closest reactants. The
Color diffusion model for active contours - an application to skin lesion segmentation.
Ivanovici, Mihai; Stoica, Diana
2012-01-01
Most of the existing diffusion models are defined for gray-scale images. We propose a diffusion model for color images to be used as external energy for active contours. Our diffusion model is based on the first-order moment of the correlation integral expressed using ΔE distances in the CIE Lab color space. We use a multi-scale approach for active contours, the diffusion being independently computed at various scales. We validate the model on synthetic images, including multi-fractal color textures, as well as medical images representing melanoma. We conclude that the proposed diffusion model is valid for use in skin lesion segmentation in color images using active contours.
NASA Astrophysics Data System (ADS)
Naglič, Peter; Vidovič, Luka; Milanič, Matija; Randeberg, Lise L.; Majaron, Boris
2014-03-01
Light propagation in highly scattering biological tissues is often treated in the so-called diffusion approximation (DA). Although the analytical solutions derived within the DA are known to be inaccurate near tissue boundaries and absorbing layers, their use in quantitative analysis of diffuse reflectance spectra (DRS) is quite common. We analyze the artifacts in assessed tissue properties which occur in fitting of numerically simulated DRS with the DA solutions for a three-layer skin model. In addition, we introduce an original procedure which significantly improves the accuracy of such an inverse analysis of DRS. This procedure involves a single comparison run of a Monte Carlo (MC) numerical model, yet avoids the need to implement and run an inverse MC. This approach is tested also in analysis of experimental DRS from human skin.
NASA Astrophysics Data System (ADS)
Aminfar, Habib; Mohammadpourfard, Mousa; Khajeh, Kosar
2017-03-01
It is well-known that the Low Density Lipoprotein (LDL) can accumulate and penetrate into the arterial wall. Here, we have investigated the diffusion rate of macromolecules across the porous layer of blood vessel under the effects of magnetic force. By using a finite volume technique, it was found that magnetic field makes alterations in diffusion rate of LDLs, also surface concentration of macromolecules on the walls. As well, the influence of different value of Re and Sc number in the presence of a magnetic field have shown as nondimensional concentration profiles. Magnetic field considered as a body force, porous layer simulated by using Darcy's law and the blood regarded as nano fluid which was examined as a single phase model.
Quantum-corrected drift-diffusion models for transport in semiconductor devices
De Falco, Carlo; Gatti, Emilio; Lacaita, Andrea L.; Sacco, Riccardo . E-mail: riccardo.sacco@mate.polimi.it
2005-04-10
In this paper, we propose a unified framework for Quantum-corrected drift-diffusion (QCDD) models in nanoscale semiconductor device simulation. QCDD models are presented as a suitable generalization of the classical drift-diffusion (DD) system, each particular model being identified by the constitutive relation for the quantum-correction to the electric potential. We examine two special, and relevant, examples of QCDD models; the first one is the modified DD model named Schroedinger-Poisson-drift-diffusion, and the second one is the quantum-drift-diffusion (QDD) model. For the decoupled solution of the two models, we introduce a functional iteration technique that extends the classical Gummel algorithm widely used in the iterative solution of the DD system. We discuss the finite element discretization of the various differential subsystems, with special emphasis on their stability properties, and illustrate the performance of the proposed algorithms and models on the numerical simulation of nanoscale devices in two spatial dimensions.
Stalled-Flow and Head-Loss Model for Diffuser Pumps
NASA Technical Reports Server (NTRS)
Meng, S. Y.
1984-01-01
Modeling procedure approximates inlet transition zone (blade leading edge to blade throat) of diffuser pump as two-dimensional cascade, properties of which are well known. Model applied to stators as well as rotors. Procedure much faster than previous methods.
Nonexistence of nonconstant steady-state solutions in a triangular cross-diffusion model
NASA Astrophysics Data System (ADS)
Lou, Yuan; Tao, Youshan; Winkler, Michael
2017-05-01
In this paper we study the Shigesada-Kawasaki-Teramoto model for two competing species with triangular cross-diffusion. We determine explicit parameter ranges within which the model exclusively possesses constant steady state solutions.
Ohashi, Hidenori; Tamaki, Takanori; Yamaguchi, Takeo
2011-12-29
Molecular collisions, which are the microscopic origin of molecular diffusive motion, are affected by both the molecular surface area and the distance between molecules. Their product can be regarded as the free space around a penetrant molecule defined as the "shell-like free volume" and can be taken as a characteristic of molecular collisions. On the basis of this notion, a new diffusion theory has been developed. The model can predict molecular diffusivity in polymeric systems using only well-defined single-component parameters of molecular volume, molecular surface area, free volume, and pre-exponential factors. By consideration of the physical description of the model, the actual body moved and which neighbor molecules are collided with are the volume and the surface area of the penetrant molecular core. In the present study, a semiempirical quantum chemical calculation was used to calculate both of these parameters. The model and the newly developed parameters offer fairly good predictive ability. © 2011 American Chemical Society
Model for radon diffusion through the lunar regolith.
NASA Technical Reports Server (NTRS)
Friesen, L. J.; Heymann, D.
1972-01-01
Description of a model for radon diffusion through the lunar regolith in which the atom migrates by random walk. The regolith is represented by a system of randomly oriented baffles in which the mean distance which the atom travels between two collisions takes on the role of a mean free path. The effective mean time between two collisions depends on two entities: the actual mean time-of-flight and the mean sticking time on grain surfaces for one collision. The latter depends strongly on the temperature and the heat of adsorption of radon on regolith materials. Both the mean free path as well as the heat of adsorption are either poorly known or unknown for the lunar regolith; hence these quantities are treated as free parameters. Because of the greatly different mean lifetimes against radioactive decay of Rn219, Rn220, and Rn222, the regolith acts as a powerful 'filter' for these species. Rn222 escape is significant (32%) even for a mean free path of 1 micron, a heat of adsorption of 7.0 kcal/mole and a regolith depth of 4 m. Calculations of radon escape from a 4 m thick regolith, using mean free paths of 1, 10, and 80 microns and heats of adsorption of 4.0, 5.2, and 7.0 kcal/mole show that the Rn222/Rn220 escape ratio can be as small as 7.7 and as large as, or larger than 47. The small value of 7.7 is of particular interest, because it is nearly equal to the escape ratio inferred by Turkevich et al. (1970) from their Surveyor 5 results.
Model for radon diffusion through the lunar regolith.
NASA Technical Reports Server (NTRS)
Friesen, L. J.; Heymann, D.
1972-01-01
Description of a model for radon diffusion through the lunar regolith in which the atom migrates by random walk. The regolith is represented by a system of randomly oriented baffles in which the mean distance which the atom travels between two collisions takes on the role of a mean free path. The effective mean time between two collisions depends on two entities: the actual mean time-of-flight and the mean sticking time on grain surfaces for one collision. The latter depends strongly on the temperature and the heat of adsorption of radon on regolith materials. Both the mean free path as well as the heat of adsorption are either poorly known or unknown for the lunar regolith; hence these quantities are treated as free parameters. Because of the greatly different mean lifetimes against radioactive decay of Rn219, Rn220, and Rn222, the regolith acts as a powerful 'filter' for these species. Rn222 escape is significant (32%) even for a mean free path of 1 micron, a heat of adsorption of 7.0 kcal/mole and a regolith depth of 4 m. Calculations of radon escape from a 4 m thick regolith, using mean free paths of 1, 10, and 80 microns and heats of adsorption of 4.0, 5.2, and 7.0 kcal/mole show that the Rn222/Rn220 escape ratio can be as small as 7.7 and as large as, or larger than 47. The small value of 7.7 is of particular interest, because it is nearly equal to the escape ratio inferred by Turkevich et al. (1970) from their Surveyor 5 results.
Two-Part and Related Regression Models for Longitudinal Data.
Farewell, V T; Long, D L; Tom, B D M; Yiu, S; Su, L
2017-03-01
Statistical models that involve a two-part mixture distribution are applicable in a variety of situations. Frequently, the two parts are a model for the binary response variable and a model for the outcome variable that is conditioned on the binary response. Two common examples are zero-inflated or hurdle models for count data and two-part models for semicontinuous data. Recently, there has been particular interest in the use of these models for the analysis of repeated measures of an outcome variable over time. The aim of this review is to consider motivations for the use of such models in this context and to highlight the central issues that arise with their use. We examine two-part models for semicontinuous and zero-heavy count data, and we also consider models for count data with a two-part random effects distribution.
NASA Astrophysics Data System (ADS)
Huber, Christian; Cassata, William S.; Renne, Paul R.
2011-04-01
Thermochronometry based on radiogenic noble gases is critically dependent upon accurate knowledge of the kinetics of diffusion. With few exceptions, complex natural crystals are represented by ideal geometries such as infinite sheets, infinite cylinders, or spheres, and diffusivity is assumed to be isotropic. However, the physical boundaries of crystals generally do not conform to ideal geometries and diffusion within some crystals is known to be anisotropic. Our failure to incorporate such complexities into diffusive models leads to inaccuracies in both thermal histories and diffusion parameters calculated from fractional release data. To address these shortcomings we developed a code based on the lattice Boltzmann (LB) method to model diffusion from complex 3D geometries having isotropic, temperature-independent anisotropic, and temperature-dependent anisotropic diffusivity. In this paper we outline the theoretical basis for the LB code and highlight several advantages of this model relative to more traditional finite difference approaches. The LB code, along with existing analytical solutions for diffusion from simple geometries, is used to investigate the affect of intrinsic crystallographic features (e.g., crystal topology and diffusion anisotropy) on calculated diffusion parameters and a novel method for approximating thermal histories from crystals with complex topologies and diffusive anisotropy is presented.
An Electrodynamics-Based Model for Ion Diffusion in Microbial Polysaccharides
Liu, Chongxuan; Zachara, John M.; Felmy, Andrew R.; Gorby, Yuri A.
2004-08-03
An electrodynamics-based model was formulated for simulation of ion diffusion in microbial polysaccharides with fixed charges and electrostatic double layers. The model extends a common multicomponent ion diffusion model that is based on irreversible thermodynamics under a zero ionic charge flux condition, which is only applicable to the regions without fixed charges and electrostatic double layers. An efficient numerical procedure was presented to solve the differential equations in the model. The model well described key features of experimental observations of ion diffusion in negatively charged microbial polysaccharides including accelerated diffusive transport of cations, exclusion of anions, and increased rate of cation transport with increasing negative charge density. The simulated diffusive fluxes of cations and anions were consistent with a classic exchange diffusion concept in negatively charged polysaccharides at the interface of plant roots and soils; and the developed model allows to mathematically study such diffusion phenomena. Numerical simulations also showed that ion diffusive transport within a bacterial cell wall polysaccharide may induce an ionic current that compresses or expands the bacterial electrostatic double layer at the interface of the cell wall and bulk solution.
Bass-SIR model for diffusion of new products in social networks
NASA Astrophysics Data System (ADS)
Fibich, Gadi
2016-09-01
We consider the diffusion of new products in social networks, where consumers who adopt the product can later "recover" and stop influencing others to adopt the product. We show that the diffusion is not described by the susceptible-infected-recovered (SIR) model, but rather by a new model, the Bass-SIR model, which combines the Bass model for diffusion of new products with the SIR model for epidemics. The phase transition of consumers from nonadopters to adopters is described by a nonstandard Kolmogorov-Johnson-Mehl-Avrami model, in which clusters growth is limited by adopters' recovery. Therefore, diffusion in the Bass-SIR model only depends on the local structure of the social network, but not on the average distance between consumers. Consequently, unlike the SIR model, a small-worlds structure has a negligible effect on the diffusion. Moreover, unlike the SIR model, there is no threshold value above which the diffusion will peter out. Surprisingly, diffusion on scale-free networks is nearly identical to that on Cartesian ones.
Bass-SIR model for diffusion of new products in social networks.
Fibich, Gadi
2016-09-01
We consider the diffusion of new products in social networks, where consumers who adopt the product can later "recover" and stop influencing others to adopt the product. We show that the diffusion is not described by the susceptible-infected-recovered (SIR) model, but rather by a new model, the Bass-SIR model, which combines the Bass model for diffusion of new products with the SIR model for epidemics. The phase transition of consumers from nonadopters to adopters is described by a nonstandard Kolmogorov-Johnson-Mehl-Avrami model, in which clusters growth is limited by adopters' recovery. Therefore, diffusion in the Bass-SIR model only depends on the local structure of the social network, but not on the average distance between consumers. Consequently, unlike the SIR model, a small-worlds structure has a negligible effect on the diffusion. Moreover, unlike the SIR model, there is no threshold value above which the diffusion will peter out. Surprisingly, diffusion on scale-free networks is nearly identical to that on Cartesian ones.
NASA Astrophysics Data System (ADS)
Rothfischer, Ramona; Grosenick, Dirk; Macdonald, Rainer
2015-07-01
We discuss the determination of optical properties of thick scattering media from measurements of time-resolved transmittance by diffusion theory using Monte Carlo simulations as a gold standard to model photon migration. Our theoretical and experimental investigations reveal differences between calculated distributions of times of flight (DTOFs) of photons from both models which result in an overestimation of the absorption and the reduced scattering coefficient by diffusion theory which becomes larger for small scattering coefficients. By introducing a temporal shift in the DTOFs obtained with the diffusion model as additional fit parameter, the deviation in the absorption coefficient can be compensated almost completely. If the scattering medium is additionally covered by transparent layers (e.g. glass plates) the deviation between the DTOFs from both models is even larger which mainly effects the determination of the reduced scattering coefficient by diffusion theory. A temporal shift improves the accuracy of the optical properties derived by diffusion theory in this case as well.
A model for self-diffusion of guanidinium-based ionic liquids: a molecular simulation study.
Klähn, Marco; Seduraman, Abirami; Wu, Ping
2008-11-06
We propose a novel self-diffusion model for ionic liquids on an atomic level of detail. The model is derived from molecular dynamics simulations of guanidinium-based ionic liquids (GILs) as a model case. The simulations are based on an empirical molecular mechanical force field, which has been developed in our preceding work, and it relies on the charge distribution in the actual liquid. The simulated GILs consist of acyclic and cyclic cations that were paired with nitrate and perchlorate anions. Self-diffusion coefficients are calculated at different temperatures from which diffusive activation energies between 32-40 kJ/mol are derived. Vaporization enthalpies between 174-212 kJ/mol are calculated, and their strong connection with diffusive activation energies is demonstrated. An observed formation of cavities in GILs of up to 6.5% of the total volume does not facilitate self-diffusion. Instead, the diffusion of ions is found to be determined primarily by interactions with their immediate environment via electrostatic attraction between cation hydrogen and anion oxygen atoms. The calculated average time between single diffusive transitions varies between 58-107 ps and determines the speed of diffusion, in contrast to diffusive displacement distances, which were found to be similar in all simulated GILs. All simulations indicate that ions diffuse by using a brachiation type of movement: a diffusive transition is initiated by cleaving close contacts to a coordinated counterion, after which the ion diffuses only about 2 A until new close contacts are formed with another counterion in its vicinity. The proposed diffusion model links all calculated energetic and dynamic properties of GILs consistently and explains their molecular origin. The validity of the model is confirmed by providing an explanation for the variation of measured ratios of self-diffusion coefficients of cations and paired anions over a wide range of values, encompassing various ionic liquid classes
Climate stability for a Sellers-type model. [atmospheric diffusive energy balance model
NASA Technical Reports Server (NTRS)
Ghil, M.
1976-01-01
We study a diffusive energy-balance climate model governed by a nonlinear parabolic partial differential equation. Three positive steady-state solutions of this equation are found; they correspond to three possible climates of our planet: an interglacial (nearly identical to the present climate), a glacial, and a completely ice-covered earth. We consider also models similar to the main one studied, and determine the number of their steady states. All the models have albedo continuously varying with latitude and temperature, and entirely diffusive horizontal heat transfer. The diffusion is taken to be nonlinear as well as linear. We investigate the stability under small perturbations of the main model's climates. A stability criterion is derived, and its application shows that the 'present climate' and the 'deep freeze' are stable, whereas the model's glacial is unstable. A variational principle is introduced to confirm the results of this stability analysis. For a sufficient decrease in solar radiation (about 2%) the glacial and interglacial solutions disappear, leaving the ice-covered earth as the only possible climate.
Climate stability for a Sellers-type model. [atmospheric diffusive energy balance model
NASA Technical Reports Server (NTRS)
Ghil, M.
1976-01-01
We study a diffusive energy-balance climate model governed by a nonlinear parabolic partial differential equation. Three positive steady-state solutions of this equation are found; they correspond to three possible climates of our planet: an interglacial (nearly identical to the present climate), a glacial, and a completely ice-covered earth. We consider also models similar to the main one studied, and determine the number of their steady states. All the models have albedo continuously varying with latitude and temperature, and entirely diffusive horizontal heat transfer. The diffusion is taken to be nonlinear as well as linear. We investigate the stability under small perturbations of the main model's climates. A stability criterion is derived, and its application shows that the 'present climate' and the 'deep freeze' are stable, whereas the model's glacial is unstable. A variational principle is introduced to confirm the results of this stability analysis. For a sufficient decrease in solar radiation (about 2%) the glacial and interglacial solutions disappear, leaving the ice-covered earth as the only possible climate.
Lateral diffusion in inhomogeneous membranes. Model membranes containing cholesterol.
Owicki, J C; McConnell, H M
1980-01-01
The problem of lateral diffusion in inhomogeneous membranes is illustrated by a theoretical calculation of the lateral diffusion of a fluorescent lipid probe in binary mixtures of phosphatidylcholine and cholesterol under conditions of temperature and composition such that this lipid mixture consists of alternating parallel domains of fluid and solid lipid, having separations that are small compared with the distance scale employed in photobleaching experiments. The theoretical calculations clearly illustrate how inhomogeneities in membrane composition affecting the lateral motion of membrane components on a small (10-100 nm) distance scale can give complex diffusive responses in experiments such as fluorescence photobleaching that employ comparatively macroscopic distances (10-100 micrometers) for the measurement of diffusive recovery. The theoretical calculations exhibit the unusual dependence of the apparent lateral diffusion coefficient of a fluorescent lipid probe on lipid composition in binary mixtures of cholesterol and phosphatidylcholines as reported by Rubenstein et al. (1979, Proc. Natl. Acad. Sci. U.S.A., 76:15-18). PMID:6894875
Modeling the flow in diffuse interface methods of solidification
NASA Astrophysics Data System (ADS)
Subhedar, A.; Steinbach, I.; Varnik, F.
2015-08-01
Fluid dynamical equations in the presence of a diffuse solid-liquid interface are investigated via a volume averaging approach. The resulting equations exhibit the same structure as the standard Navier-Stokes equation for a Newtonian fluid with a constant viscosity, the effect of the solid phase fraction appearing in the drag force only. This considerably simplifies the use of the lattice Boltzmann method as a fluid dynamics solver in solidification simulations. Galilean invariance is also satisfied within this approach. Further, we investigate deviations between the diffuse and sharp interface flow profiles via both quasiexact numerical integration and lattice Boltzmann simulations. It emerges from these studies that the freedom in choosing the solid-liquid coupling parameter h provides a flexible way of optimizing the diffuse interface-flow simulations. Once h is adapted for a given spatial resolution, the simulated flow profiles reach an accuracy comparable to quasiexact numerical simulations.
Utrillas, María P; Marín, María J; Esteve, Anna R; Estellés, Victor; Tena, Fernando; Cañada, Javier; Martínez-Lozano, José A
2009-01-01
Values of measured and modeled diffuse UV erythemal irradiance (UVER) for all sky conditions are compared on planes inclined at 40 degrees and oriented north, south, east and west. The models used for simulating diffuse UVER are of the geometric-type, mainly the Isotropic, Klucher, Hay, Muneer, Reindl and Schauberger models. To analyze the precision of the models, some statistical estimators were used such as root mean square deviation, mean absolute deviation and mean bias deviation. It was seen that all the analyzed models reproduce adequately the diffuse UVER on the south-facing plane, with greater discrepancies for the other inclined planes. When the models are applied to cloud-free conditions, the errors obtained are higher because the anisotropy of the sky dome acquires more importance and the models do not provide the estimation of diffuse UVER accurately.
NASA Astrophysics Data System (ADS)
Wu, Yixiang; Zou, Xingfu
2016-10-01
Mass action and standard incidence are two major infection mechanisms in modelling spread of infectious diseases. Spatial heterogeneity plays an important role in spread of infectious diseases, and hence, motivates and advocates diffusive models for disease dynamics. By analyzing a diffusive SIS model with the standard incidence infection mechanism, some recent works [2,12] have investigated the asymptotical profiles of the endemic steady state for large and small diffusion rates, and the results show that controlling the diffusion rate of the susceptible individuals can help eradicate the infection, while controlling the diffusion rate of the infectious individuals cannot. This paper aims to reveal the difference between the two infection mechanisms in a spatially heterogeneous environment. To this end, we consider a diffusive SIS model of the same structure but with the mass action infection adopted, and explore the asymptotic profiles of the endemic steady state for small and large diffusion rates. It turns out that the new model poses some new challenges due to the nonlocal term in the equilibrium problem and the unboundedness of the nonlinear term. Our results on this new model reveal some fundamental differences between the two transmission mechanisms in such spatial models, which may provide some implications on disease modelling and controls.
12 CFR Appendix B to Part 202 - Model Application Forms
Code of Federal Regulations, 2014 CFR
2014-01-01
... 12 Banks and Banking 2 2014-01-01 2014-01-01 false Model Application Forms B Appendix B to Part... CREDIT OPPORTUNITY ACT (REGULATION B) Pt. 202, App. B Appendix B to Part 202—Model Application Forms 1... appear on the creditor's form. 3. If a creditor uses an appropriate Appendix B model form, or modifies...
12 CFR Appendix B to Part 202 - Model Application Forms
Code of Federal Regulations, 2010 CFR
2010-01-01
... 12 Banks and Banking 2 2010-01-01 2010-01-01 false Model Application Forms B Appendix B to Part 202 Banks and Banking FEDERAL RESERVE SYSTEM BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM EQUAL CREDIT OPPORTUNITY ACT (REGULATION B) Pt. 202, App. B Appendix B to Part 202—Model Application Forms 1. This appendix contains five model...
12 CFR Appendix B to Part 1002 - Model Application Forms
Code of Federal Regulations, 2013 CFR
2013-01-01
... 12 Banks and Banking 8 2013-01-01 2013-01-01 false Model Application Forms B Appendix B to Part... B) Pt. 1002, App. B Appendix B to Part 1002—Model Application Forms 1. This appendix contains five... form. 3. If a creditor uses an appropriate appendix B model form, or modifies a form in accordance...
12 CFR Appendix B to Part 202 - Model Application Forms
Code of Federal Regulations, 2012 CFR
2012-01-01
... 12 Banks and Banking 2 2012-01-01 2012-01-01 false Model Application Forms B Appendix B to Part... CREDIT OPPORTUNITY ACT (REGULATION B) Pt. 202, App. B Appendix B to Part 202—Model Application Forms 1... appear on the creditor's form. 3. If a creditor uses an appropriate Appendix B model form, or modifies...
12 CFR Appendix B to Part 202 - Model Application Forms
Code of Federal Regulations, 2013 CFR
2013-01-01
... 12 Banks and Banking 2 2013-01-01 2013-01-01 false Model Application Forms B Appendix B to Part... CREDIT OPPORTUNITY ACT (REGULATION B) Pt. 202, App. B Appendix B to Part 202—Model Application Forms 1... appear on the creditor's form. 3. If a creditor uses an appropriate appendix B model form, or modifies...
12 CFR Appendix B to Part 202 - Model Application Forms
Code of Federal Regulations, 2011 CFR
2011-01-01
... 12 Banks and Banking 2 2011-01-01 2011-01-01 false Model Application Forms B Appendix B to Part... CREDIT OPPORTUNITY ACT (REGULATION B) Pt. 202, App. B Appendix B to Part 202—Model Application Forms 1... appear on the creditor's form. 3. If a creditor uses an appropriate Appendix B model form, or modifies...
12 CFR Appendix B to Part 1002 - Model Application Forms
Code of Federal Regulations, 2012 CFR
2012-01-01
... 12 Banks and Banking 8 2012-01-01 2012-01-01 false Model Application Forms B Appendix B to Part... B) Pt. 1002, App. B Appendix B to Part 1002—Model Application Forms 1. This Appendix contains five... form. 3. If a creditor uses an appropriate Appendix B model form, or modifies a form in accordance...
12 CFR Appendix B to Part 1002 - Model Application Forms
Code of Federal Regulations, 2014 CFR
2014-01-01
... 12 Banks and Banking 8 2014-01-01 2014-01-01 false Model Application Forms B Appendix B to Part... B) Pt. 1002, App. B Appendix B to Part 1002—Model Application Forms 1. This appendix contains five... form. 3. If a creditor uses an appropriate appendix B model form, or modifies a form in accordance...
12 CFR Appendix A to Part 213 - Model Forms
Code of Federal Regulations, 2011 CFR
2011-01-01
... 12 Banks and Banking 2 2011-01-01 2011-01-01 false Model Forms A Appendix A to Part 213 Banks and Banking FEDERAL RESERVE SYSTEM BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM CONSUMER LEASING (REGULATION M) Pt. 213, App. A Appendix A to Part 213—Model Forms A-1Model Open-End or Finance Vehicle Lease...
REVIEW OF INDOOR EMISSION SOURCE MODELS: PART 2. PARAMETER ESTIMATION
This review consists of two sections. Part I provides an overview of 46 indoor emission source models. Part 2 (this paper) focuses on parameter estimation, a topic that is critical to modelers but has never been systematically discussed. A perfectly valid model may not be a usefu...
12 CFR Appendix A to Part 716 - Model Privacy Form
Code of Federal Regulations, 2012 CFR
2012-01-01
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12 CFR Appendix A to Part 332 - Model Privacy Form
Code of Federal Regulations, 2011 CFR
2011-01-01
... model form. (1) Joint accountholder. Only institutions that provide their joint accountholders the... 12 Banks and Banking 4 2011-01-01 2011-01-01 false Model Privacy Form A Appendix A to Part 332... PRIVACY OF CONSUMER FINANCIAL INFORMATION Pt. 332, App. A Appendix A to Part 332—Model Privacy Form A....
12 CFR Appendix A to Part 216 - Model Privacy Form
Code of Federal Regulations, 2014 CFR
2014-01-01
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12 CFR Appendix A to Part 332 - Model Privacy Form
Code of Federal Regulations, 2012 CFR
2012-01-01
... model form. (1) Joint accountholder. Only institutions that provide their joint accountholders the... 12 Banks and Banking 5 2012-01-01 2012-01-01 false Model Privacy Form A Appendix A to Part 332... PRIVACY OF CONSUMER FINANCIAL INFORMATION Pt. 332, App. A Appendix A to Part 332—Model Privacy Form A....
12 CFR Appendix A to Part 716 - Model Privacy Form
Code of Federal Regulations, 2013 CFR
2013-01-01
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12 CFR Appendix A to Part 216 - Model Privacy Form
Code of Federal Regulations, 2010 CFR
2010-01-01
... model form. (1) Joint accountholder. Only institutions that provide their joint accountholders the... 12 Banks and Banking 2 2010-01-01 2010-01-01 false Model Privacy Form A Appendix A to Part 216... CONSUMER FINANCIAL INFORMATION (REGULATION P) Pt. 216, App. A Appendix A to Part 216—Model Privacy Form...
12 CFR Appendix A to Part 216 - Model Privacy Form
Code of Federal Regulations, 2013 CFR
2013-01-01
... model form. (1) Joint accountholder. Only institutions that provide their joint accountholders the... 12 Banks and Banking 2 2013-01-01 2013-01-01 false Model Privacy Form A Appendix A to Part 216... CONSUMER FINANCIAL INFORMATION (REGULATION P) Pt. 216, App. A Appendix A to Part 216—Model Privacy Form...
12 CFR Appendix A to Part 216 - Model Privacy Form
Code of Federal Regulations, 2011 CFR
2011-01-01
... model form. (1) Joint accountholder. Only institutions that provide their joint accountholders the... 12 Banks and Banking 2 2011-01-01 2011-01-01 false Model Privacy Form A Appendix A to Part 216... CONSUMER FINANCIAL INFORMATION (REGULATION P) Pt. 216, App. A Appendix A to Part 216—Model Privacy Form...
12 CFR Appendix A to Part 716 - Model Privacy Form
Code of Federal Regulations, 2011 CFR
2011-01-01
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Bennett, Kevin M; Schmainda, Kathleen M; Bennett, Raoqiong Tong; Rowe, Daniel B; Lu, Hanbing; Hyde, James S
2003-10-01
Experience with diffusion-weighted imaging (DWI) shows that signal attenuation is consistent with a multicompartmental theory of water diffusion in the brain. The source of this so-called nonexponential behavior is a topic of debate, because the cerebral cortex contains considerable microscopic heterogeneity and is therefore difficult to model. To account for this heterogeneity and understand its implications for current models of diffusion, a stretched-exponential function was developed to describe diffusion-related signal decay as a continuous distribution of sources decaying at different rates, with no assumptions made about the number of participating sources. DWI experiments were performed using a spin-echo diffusion-weighted pulse sequence with b-values of 500-6500 s/mm(2) in six rats. Signal attenuation curves were fit to a stretched-exponential function, and 20% of the voxels were better fit to the stretched-exponential model than to a biexponential model, even though the latter model had one more adjustable parameter. Based on the calculated intravoxel heterogeneity measure, the cerebral cortex contains considerable heterogeneity in diffusion. The use of a distributed diffusion coefficient (DDC) is suggested to measure mean intravoxel diffusion rates in the presence of such heterogeneity.
Diffusion Dynamics and Creative Destruction in a Simple Classical Model
2015-01-01
ABSTRACT The article explores the impact of the diffusion of new methods of production on output and employment growth and income distribution within a Classical one‐sector framework. Disequilibrium paths are studied analytically and in terms of simulations. Diffusion by differential growth affects aggregate dynamics through several channels. The analysis reveals the non‐steady nature of economic change and shows that the adaptation pattern depends both on the innovation's factor‐saving bias and on the extent of the bias, which determines the strength of the selection pressure on non‐innovators. The typology of different cases developed shows various aspects of Schumpeter's concept of creative destruction. PMID:27642192
A fractional Fokker-Planck model for anomalous diffusion
Anderson, Johan; Kim, Eun-jin; Moradi, Sara
2014-12-15
In this paper, we present a study of anomalous diffusion using a Fokker-Planck description with fractional velocity derivatives. The distribution functions are found using numerical means for varying degree of fractionality of the stable Lévy distribution. The statistical properties of the distribution functions are assessed by a generalized normalized expectation measure and entropy in terms of Tsallis statistical mechanics. We find that the ratio of the generalized entropy and expectation is increasing with decreasing fractionality towards the well known so-called sub-diffusive domain, indicating a self-organising behavior.
12 CFR Appendix to Part 1016 - Model Privacy Form
Code of Federal Regulations, 2013 CFR
2013-01-01
... 12 Banks and Banking 8 2013-01-01 2013-01-01 false Model Privacy Form Appendix to Part 1016 Banks... (REGULATION P) Pt. 1016, App. Appendix to Part 1016—Model Privacy Form A. The Model Privacy Form ER21DE11.058.... How the Model Privacy Form Is Used (a) The model form may be used, at the option of a...
12 CFR Appendix to Part 1016 - Model Privacy Form
Code of Federal Regulations, 2012 CFR
2012-01-01
... 12 Banks and Banking 8 2012-01-01 2012-01-01 false Model Privacy Form Appendix to Part 1016 Banks... (REGULATION P) Pt. 1016, App. Appendix to Part 1016—Model Privacy Form A. The Model Privacy Form ER21DE11.058.... How the Model Privacy Form Is Used (a) The model form may be used, at the option of a...
Kee, Kerk F; Sparks, Lisa; Struppa, Daniele C; Mannucci, Mirco A; Damiano, Alberto
2016-01-01
By integrating the simplicial model of social aggregation with existing research on opinion leadership and diffusion networks, this article introduces the constructs of simplicial diffusers (mathematically defined as nodes embedded in simplexes; a simplex is a socially bonded cluster) and simplicial diffusing sets (mathematically defined as minimal covers of a simplicial complex; a simplicial complex is a social aggregation in which socially bonded clusters are embedded) to propose a strategic approach for information diffusion of cancer screenings as a health intervention on Facebook for community cancer prevention and control. This approach is novel in its incorporation of interpersonally bonded clusters, culturally distinct subgroups, and different united social entities that coexist within a larger community into a computational simulation to select sets of simplicial diffusers with the highest degree of information diffusion for health intervention dissemination. The unique contributions of the article also include seven propositions and five algorithmic steps for computationally modeling the simplicial model with Facebook data.
Modeling of the magnetic free energy of self-diffusion in bcc Fe
NASA Astrophysics Data System (ADS)
Sandberg, N.; Chang, Z.; Messina, L.; Olsson, P.; Korzhavyi, P.
2015-11-01
A first-principles based approach to calculating self-diffusion rates in bcc Fe is discussed with particular focus on the magnetic free energy associated with diffusion activation. First, the enthalpies and entropies of vacancy formation and migration in ferromagnetic bcc Fe are calculated from standard density functional theory methods in combination with transition state theory. Next, the shift in diffusion activation energy when going from the ferromagnetic to the paramagnetic state is estimated by averaging over random spin states. Classical and quantum mechanical Monte Carlo simulations within the Heisenberg model are used to study the effect of spin disordering on the vacancy formation and migration free energy. Finally, a quasiempirical model of the magnetic contribution to the diffusion activation free energy is applied in order to connect the current first-principles results to experimental data. The importance of the zero-point magnon energy in modeling of diffusion in bcc Fe is stressed.
Scrape-off layer modeling with kinetic or diffusion description of charge-exchange atoms
NASA Astrophysics Data System (ADS)
Tokar, M. Z.
2016-12-01
Hydrogen isotope atoms, generated by charge-exchange (c-x) of neutral particles recycling from the first wall of a fusion reactor, are described either kinetically or in a diffusion approximation. In a one-dimensional (1-D) geometry, kinetic calculations are accelerated enormously by applying an approximate pass method for the assessment of integrals in the velocity space. This permits to perform an exhaustive comparison of calculations done with both approaches. The diffusion approximation is deduced directly from the velocity distribution function of c-x atoms in the limit of charge-exchanges with ions occurring much more frequently than ionization by electrons. The profiles across the flux surfaces of the plasma parameters averaged along the main part of the scrape-off layer (SOL), beyond the X-point and divertor regions, are calculated from the one-dimensional equations where parallel flows of charged particles and energy towards the divertor are taken into account as additional loss terms. It is demonstrated that the heat losses can be firmly estimated from the SOL averaged parameters only; for the particle loss the conditions in the divertor are of importance and the sensitivity of the results to the so-called "divertor impact factor" is investigated. The coupled 1-D models for neutral and charged species, with c-x atoms described either kinetically or in the diffusion approximation, are applied to assess the SOL conditions in a fusion reactor, with the input parameters from the European DEMO project. It is shown that the diffusion approximation provides practically the same profiles across the flux surfaces for the plasma density, electron, and ion temperatures, as those obtained with the kinetic description for c-x atoms. The main difference between the two approaches is observed in the characteristics of these species themselves. In particular, their energy flux onto the wall is underestimated in calculations with the diffusion approximation by 20 % - 30
Solar box-cooker: Part 1-modeling
Thulasi Das, T.C. ); Karmakar, S. ); Rao, D.P. )
1994-03-01
Thermal models for the solar box-cookers loaded with one, two, or four vessels have been presented. The method of Taha and Eldighidy has been utilized to estimate the enhanced solar irradiance on the cooker due to the flat reflector fitted to the cooker. The coupling of the Taha and Eldighidy method with the thermal models yielded the models for the box-cookers. A great many transfer coefficients and view factors are required as the model inputs. The methods for their estimation are given. Analysis of the transfer processes, computer simulation of the cooker, and experimental data on some of the coefficients, which are peculiar to the cooker and not available in the literature are presented in the companion paper.
Microplastics elutriation system. Part A: Numerical modeling.
Kedzierski, Mikaël; Le Tilly, Véronique; Bourseau, Patrick; Bellegou, Hervé; César, Guy; Sire, Olivier; Bruzaud, Stéphane
2017-06-30
The elutriation process has shown its efficiency to extract microplastics from sand and began to spread in the scientific community. This extraction technic requires knowing with accuracy the extraction velocities of particles. This study aims to test whether numerical modeling could help to calculate these velocities. From hydrodynamic equations, a numerical model has been developed and the outputs are compared to experimental extraction data. The results show, for the calculated velocities, the experimental plastic extraction yields will be higher than 90% for <10% of sand contamination. The model also allows determining that, with the actual protocol, the maximum plastic density which can be extracted is about 1450kg·m(-3) whereas the detrimental resuspension, which may occur during the column filling step, is highlighted. From model calculations, it arises that changes in the column dimensioning and the protocol operations need to be considered. Copyright © 2017 Elsevier Ltd. All rights reserved.
An entropic quantum drift-diffusion model for electron transport in resonant tunneling diodes
Degond, Pierre; Gallego, Samy . E-mail: gallego@mip.ups-tlse.fr; Mehats, Florian
2007-01-20
We present an entropic quantum drift-diffusion model (eQDD) and show how it can be derived on a bounded domain as the diffusive approximation of the Quantum Liouville equation with a quantum BGK operator. Some links between this model and other existing models are exhibited, especially with the density gradient (DG) model and the Schroedinger-Poisson drift-diffusion model (SPDD). Then a finite difference scheme is proposed to discretize the eQDD model coupled to the Poisson equation and we show how this scheme can be slightly modified to discretize the other models. Numerical results show that the properties listed for the eQDD model are checked, as well as the model captures important features concerning the modeling of a resonant tunneling diode. To finish, some comparisons between the models stated above are realized.
Employing a Modified Diffuser Momentum Model to Simulate Ventilation of the Orion CEV
NASA Technical Reports Server (NTRS)
Straus, John; Lewis, John F.
2011-01-01
The Ansys CFX CFD modeling tool was used to support the design efforts of the ventilation system for the Orion CEV. CFD modeling was used to establish the flow field within the cabin for several supply configurations. A mesh and turbulence model sensitivity study was performed before the design studies. Results were post-processed for comparison with performance requirements. Most configurations employed straight vaned diffusers to direct and throw the flow. To manage the size of the models, the diffuser vanes were not resolved. Instead, a momentum model was employed to account for the effect of the diffusers. The momentum model was tested against a separate, vane-resolved side study. Results are presented for a single diffuser configuration for a low supply flow case.
Deposition, diffusion, and aggregation of atoms on surfaces: A model for nanostructure growth
NASA Astrophysics Data System (ADS)
Jensen, Pablo; Barabási, Albert-László; Larralde, Hernán; Havlin, Shlomo; Stanley, H. E.
1994-11-01
We propose a model that describes the diffusion-controlled aggregation exhibited by particles as they are deposited on a surface. The model, which incorporates deposition, particle and cluster diffusion, and aggregation, is inspired by recent thin-film-deposition experiments. We find that as randomly deposited particles diffuse and aggregate they configure themselves into a wide variety of fractal structures characterized by a length scale L1. We introduce an exponent γ that tunes the way the diffusion coefficient changes with cluster size: if the values of γ are very large, only single particles can move, if they are smaller, all clusters can move. The introduction of cluster diffusion dramatically affects the dynamics of film growth. We compare our results with those of several recent experiments on two-dimensional nanostructures formed by diffusion-controlled aggregation on surfaces, and we propose several experimental tests of the model. We also investigate the spanning properties of this model and find another characteristic length scale L2 (L2>>L1) above which the system behaves as a bond percolation network of the fractal structures each of length scale L1. Below L2, the system shows similarities with diffusion-limited aggregation. We find that L1 scales as the ratio of the diffusion constant over the particle flux to the power 1/4, whereas L2 scales with another exponent close to 0.9.
NASA Astrophysics Data System (ADS)
Liang, Yingjie; Ye, Allen Q.; Chen, Wen; Gatto, Rodolfo G.; Colon-Perez, Luis; Mareci, Thomas H.; Magin, Richard L.
2016-10-01
Non-Gaussian (anomalous) diffusion is wide spread in biological tissues where its effects modulate chemical reactions and membrane transport. When viewed using magnetic resonance imaging (MRI), anomalous diffusion is characterized by a persistent or 'long tail' behavior in the decay of the diffusion signal. Recent MRI studies have used the fractional derivative to describe diffusion dynamics in normal and post-mortem tissue by connecting the order of the derivative with changes in tissue composition, structure and complexity. In this study we consider an alternative approach by introducing fractal time and space derivatives into Fick's second law of diffusion. This provides a more natural way to link sub-voxel tissue composition with the observed MRI diffusion signal decay following the application of a diffusion-sensitive pulse sequence. Unlike previous studies using fractional order derivatives, here the fractal derivative order is directly connected to the Hausdorff fractal dimension of the diffusion trajectory. The result is a simpler, computationally faster, and more direct way to incorporate tissue complexity and microstructure into the diffusional dynamics. Furthermore, the results are readily expressed in terms of spectral entropy, which provides a quantitative measure of the overall complexity of the heterogeneous and multi-scale structure of biological tissues. As an example, we apply this new model for the characterization of diffusion in fixed samples of the mouse brain. These results are compared with those obtained using the mono-exponential, the stretched exponential, the fractional derivative, and the diffusion kurtosis models. Overall, we find that the order of the fractal time derivative, the diffusion coefficient, and the spectral entropy are potential biomarkers to differentiate between the microstructure of white and gray matter. In addition, we note that the fractal derivative model has practical advantages over the existing models from the
Model-based reconstruction of undersampled diffusion tensor k-space data.
Welsh, Christopher L; Dibella, Edward V R; Adluru, Ganesh; Hsu, Edward W
2013-08-01
The practical utility of diffusion tensor imaging, especially for 3D high-resolution spin warp experiments of ex vivo specimens, has been hampered by long acquisition times. To accelerate the acquisition, a compressed sensing framework that uses a model-based formulation to reconstruct diffusion tensor fields from undersampled k-space data was presented and evaluated. Accuracies in brain specimen white matter fiber orientation, fractional anisotropy, and mean diffusivity mapping were compared with alternative methods achievable using the same scan time via reduced image resolution, fewer diffusion encoding directions, standard compressed sensing, or asymmetrical sampling reconstruction. The efficiency of the proposed approach was also compared with fully sampled cases across a range of the number of diffusion encoding directions. In general, the proposed approach was found to reduce the image blurring and noise and to provide more accurate fiber orientation, fractional anisotropy, and mean diffusivity measurements compared with the alternative methods. Moreover, depending on the degree of undersampling used and the diffusion tensor imaging parameter examined, the measurement accuracy of the proposed scheme was equivalent to fully sampled diffusion tensor imaging datasets that consist of 33-67% more encoding directions and require proportionally longer scan times. The findings show model-based compressed sensing to be promising for improving the resolution, accuracy, or scan time of diffusion tensor imaging. © 2012 Wiley Periodicals, Inc.
Solving the advection-diffusion equations in biological contexts using the cellular Potts model
NASA Astrophysics Data System (ADS)
Dan, Debasis; Mueller, Chris; Chen, Kun; Glazier, James A.
2005-10-01
The cellular Potts model (CPM) is a robust, cell-level methodology for simulation of biological tissues and morphogenesis. Both tissue physiology and morphogenesis depend on diffusion of chemical morphogens in the extra-cellular fluid or matrix (ECM). Standard diffusion solvers applied to the cellular potts model use finite difference methods on the underlying CPM lattice. However, these methods produce a diffusing field tied to the underlying lattice, which is inaccurate in many biological situations in which cell or ECM movement causes advection rapid compared to diffusion. Finite difference schemes suffer numerical instabilities solving the resulting advection-diffusion equations. To circumvent these problems we simulate advection diffusion within the framework of the CPM using off-lattice finite-difference methods. We define a set of generalized fluid particles which detach advection and diffusion from the lattice. Diffusion occurs between neighboring fluid particles by local averaging rules which approximate the Laplacian. Directed spin flips in the CPM handle the advective movement of the fluid particles. A constraint on relative velocities in the fluid explicitly accounts for fluid viscosity. We use the CPM to solve various diffusion examples including multiple instantaneous sources, continuous sources, moving sources, and different boundary geometries and conditions to validate our approximation against analytical and established numerical solutions. We also verify the CPM results for Poiseuille flow and Taylor-Aris dispersion.
Modeling of band-3 protein diffusion in the normal and defective red blood cell membrane.
Li, He; Zhang, Yihao; Ha, Vi; Lykotrafitis, George
2016-04-21
We employ a two-component red blood cell (RBC) membrane model to simulate lateral diffusion of band-3 proteins in the normal RBC and in the RBC with defective membrane proteins. The defects reduce the connectivity between the lipid bilayer and the membrane skeleton (vertical connectivity), or the connectivity of the membrane skeleton itself (horizontal connectivity), and are associated with the blood disorders of hereditary spherocytosis (HS) and hereditary elliptocytosis (HE) respectively. Initially, we demonstrate that the cytoskeleton limits band-3 lateral mobility by measuring the band-3 macroscopic diffusion coefficients in the normal RBC membrane and in a lipid bilayer without the cytoskeleton. Then, we study band-3 diffusion in the defective RBC membrane and quantify the relation between band-3 diffusion coefficients and percentage of protein defects in HE RBCs. In addition, we illustrate that at low spectrin network connectivity (horizontal connectivity) band-3 subdiffusion can be approximated as anomalous diffusion, while at high horizontal connectivity band-3 diffusion is characterized as confined diffusion. Our simulations show that the band-3 anomalous diffusion exponent depends on the percentage of protein defects in the membrane cytoskeleton. We also confirm that the introduction of attraction between the lipid bilayer and the spectrin network reduces band-3 diffusion, but we show that this reduction is lower than predicted by the percolation theory. Furthermore, we predict that the attractive force between the spectrin filament and the lipid bilayer is at least 20 times smaller than the binding forces at band-3 and glycophorin C, the two major membrane binding sites. Finally, we explore diffusion of band-3 particles in the RBC membrane with defects related to vertical connectivity. We demonstrate that in this case band-3 diffusion can be approximated as confined diffusion for all attraction levels between the spectrin network and the lipid bilayer
Diffusion within the Cytoplasm: A Mesoscale Model of Interacting Macromolecules
Trovato, Fabio; Tozzini, Valentina
2014-01-01
Recent experiments carried out in the dense cytoplasm of living cells have highlighted the importance of proteome composition and nonspecific intermolecular interactions in regulating macromolecule diffusion and organization. Despite this, the dependence of diffusion-interaction on physicochemical properties such as the degree of poly-dispersity and the balance between steric repulsion and nonspecific attraction among macromolecules was not systematically addressed. In this work, we study the problem of diffusion-interaction in the bacterial cytoplasm, combining theory and experimental data to build a minimal coarse-grained representation of the cytoplasm, which also includes, for the first time to our knowledge, the nucleoid. With stochastic molecular-dynamics simulations of a virtual cytoplasm we are able to track the single biomolecule motion, sizing from 3 to 80 nm, on submillisecond-long trajectories. We demonstrate that the size dependence of diffusion coefficients, anomalous exponents, and the effective viscosity experienced by biomolecules in the cytoplasm is fine-tuned by the intermolecular interactions. Accounting only for excluded volume in these potentials gives a weaker size-dependence than that expected from experimental data. On the contrary, adding nonspecific attraction in the range of 1–10 thermal energy units produces a stronger variation of the transport properties at growing biopolymer sizes. Normal and anomalous diffusive regimes emerge straightforwardly from the combination of high macromolecular concentration, poly-dispersity, stochasticity, and weak nonspecific interactions. As a result, small biopolymers experience a viscous cytoplasm, while the motion of big ones is jammed because the entanglements produced by the network of interactions and the entropic effects caused by poly-dispersity are stronger. PMID:25468337
Diffusion within the cytoplasm: a mesoscale model of interacting macromolecules.
Trovato, Fabio; Tozzini, Valentina
2014-12-02
Recent experiments carried out in the dense cytoplasm of living cells have highlighted the importance of proteome composition and nonspecific intermolecular interactions in regulating macromolecule diffusion and organization. Despite this, the dependence of diffusion-interaction on physicochemical properties such as the degree of poly-dispersity and the balance between steric repulsion and nonspecific attraction among macromolecules was not systematically addressed. In this work, we study the problem of diffusion-interaction in the bacterial cytoplasm, combining theory and experimental data to build a minimal coarse-grained representation of the cytoplasm, which also includes, for the first time to our knowledge, the nucleoid. With stochastic molecular-dynamics simulations of a virtual cytoplasm we are able to track the single biomolecule motion, sizing from 3 to 80 nm, on submillisecond-long trajectories. We demonstrate that the size dependence of diffusion coefficients, anomalous exponents, and the effective viscosity experienced by biomolecules in the cytoplasm is fine-tuned by the intermolecular interactions. Accounting only for excluded volume in these potentials gives a weaker size-dependence than that expected from experimental data. On the contrary, adding nonspecific attraction in the range of 1-10 thermal energy units produces a stronger variation of the transport properties at growing biopolymer sizes. Normal and anomalous diffusive regimes emerge straightforwardly from the combination of high macromolecular concentration, poly-dispersity, stochasticity, and weak nonspecific interactions. As a result, small biopolymers experience a viscous cytoplasm, while the motion of big ones is jammed because the entanglements produced by the network of interactions and the entropic effects caused by poly-dispersity are stronger. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.
Model assessment of protective barriers: Part 3
Fayer, M.J.; Rockhold, M.L.; Holford, D.J.
1992-02-01
Radioactive waste exists at the US Department of Energy's (DOE's) Hanford Site in a variety of locations, including subsurface grout and tank farms, solid waste burial grounds, and contaminated soil sites. Some of these waste sites may need to be isolated from percolating water to minimize the potential for transport of the waste to the ground water, which eventually discharges to the Columbia River. Multilayer protective barriers have been proposed as a means of limiting the flow of water through the waste sites (DOE 1987). A multiyear research program (managed jointly by Pacific Northwest Laboratory (PNL) and Westinghouse Hanford Company for the DOE) is aimed at assessing the performance of these barriers. One aspect of this program involves the use of computer models to predict barrier performance. Three modeling studies have already been conducted and a test plan was produced. The simulation work reported here was conducted by PNL and extends the previous modeling work. The purpose of this report are to understand phenomena that have been observed in the field and to provide information that can be used to improve hydrologic modeling of the protective barrier. An improved modeling capability results in better estimates of barrier performance. Better estimates can be used to improve the design of barriers and the assessment of their long-term performance.
Diffusion on a hypersphere: application to the Wright-Fisher model
NASA Astrophysics Data System (ADS)
Maruyama, Kishiko; Itoh, Yoshiaki
2016-04-01
The eigenfunction expansion by Gegenbauer polynomials for the diffusion on a hypersphere is transformed into the diffusion for the Wright-Fisher model with a particular mutation rate. We use the Ito calculus considering stochastic differential equations. The expansion gives a simple interpretation of the Griffiths eigenfunction expansion for the Wright-Fisher model. Our representation is useful to simulate the Wright-Fisher model as well as Brownian motion on a hypersphere.
NASA Astrophysics Data System (ADS)
Boyer, D.; Romo-Cruz, J. C. R.
2014-10-01
Motivated by studies on the recurrent properties of animal and human mobility, we introduce a path-dependent random-walk model with long-range memory for which not only the mean-square displacement (MSD) but also the propagator can be obtained exactly in the asymptotic limit. The model consists of a random walker on a lattice, which, at a constant rate, stochastically relocates at a site occupied at some earlier time. This time in the past is chosen randomly according to a memory kernel, whose temporal decay can be varied via an exponent parameter. In the weakly non-Markovian regime, memory reduces the diffusion coefficient from the bare value. When the mean backward jump in time diverges, the diffusion coefficient vanishes and a transition to an anomalous subdiffusive regime occurs. Paradoxically, at the transition, the process is an anticorrelated Lévy flight. Although in the subdiffusive regime the model exhibits some features of the continuous time random walk with infinite mean waiting time, it belongs to another universality class. If memory is very long-ranged, a second transition takes place to a regime characterized by a logarithmic growth of the MSD with time. In this case the process is asymptotically Gaussian and effectively described as a scaled Brownian motion with a diffusion coefficient decaying as 1 /t .
Goossens, D. J.
2015-01-01
Diffuse scattering from a crystal contains valuable information about the two-body correlations (related to the nanoscale order) in the material. Despite years of development, the detailed analysis of single crystal diffuse scattering (SCDS) has yet to become part of the everyday toolbox of the structural scientist. Recent decades have seen the pair distribution function approach to diffuse scattering (in fact, total scattering) from powders become a relatively routine tool. However, analysing the detailed, complex, and often highly anisotropic three-dimensional distribution of SCDS remains valuable yet rare because there is no routine method for undertaking the analysis. At present, analysis requiresmore » significant investment of time to develop specialist expertise, which means that the analysis of diffuse scattering, which has much to offer, is not incorporated thorough studies of many compounds even though it has the potential to be a very useful adjunct to existing techniques. This article endeavours to outline in some detail how the diffuse scattering from a molecular crystal can be modelled relatively quickly and largely using existing software tools. It is hoped this will provide a template for other studies. To enable this, the entire simulation is included as deposited material.« less
Goossens, D. J.
2015-01-01
Diffuse scattering from a crystal contains valuable information about the two-body correlations (related to the nanoscale order) in the material. Despite years of development, the detailed analysis of single crystal diffuse scattering (SCDS) has yet to become part of the everyday toolbox of the structural scientist. Recent decades have seen the pair distribution function approach to diffuse scattering (in fact, total scattering) from powders become a relatively routine tool. However, analysing the detailed, complex, and often highly anisotropic three-dimensional distribution of SCDS remains valuable yet rare because there is no routine method for undertaking the analysis. At present, analysis requires significant investment of time to develop specialist expertise, which means that the analysis of diffuse scattering, which has much to offer, is not incorporated thorough studies of many compounds even though it has the potential to be a very useful adjunct to existing techniques. This article endeavours to outline in some detail how the diffuse scattering from a molecular crystal can be modelled relatively quickly and largely using existing software tools. It is hoped this will provide a template for other studies. To enable this, the entire simulation is included as deposited material.
Modeling of titanium diffusion into LiNbO3 using a depth-dependent diffusion coefficient
NASA Astrophysics Data System (ADS)
Fontaine, M.; Delâge, A.; Landheer, D.
1986-10-01
A theoretical description of the diffusion of a thin film of titanium (Ti) into a lithium niobate (LiNbO3) crystal is reported. A variable depth diffusion coefficient is used to explain the prominent lateral surface diffusion generally observed in the fabrication of Ti-diffused optical waveguides on non-Z-cut LiNbO3. A finite integral transform technique is used to solve the diffusion equation described by Fick's law. Since the enhanced lateral diffusion is usually ascribed to anisotropic diffusion, we compare our calculations with those obtained using different diffusion coefficients for each diffusion direction. The approach with a variable depth diffusion coefficient can explain the enhancement of lateral diffusion and the peak of Ti concentration close to the surface observed experimentally.
Hann-Ming Henry Juang; Ching-Teng Lee; Yongxin Zhang; Yucheng Song; Ming-Chin Wu; Yi-Leng Chen; Kevin Kodama; Shyh-Chin Chen
2005-01-01
The National Centers for Environmental Prediction regional spectral model and mesoscale spectral model (NCEP RSM/MSM) use a spectral computation on perturbation. The perturbation is defined as a deviation between RSM/MSM forecast value and their outer model or analysis value on model sigma-coordinate surfaces. The horizontal diffusion used in the models applies...
Modelling the Mach bands illusion by means of a diffusion model.
Geier, Janos; Hudák, Mariann
2014-01-01
First, we criticize the validity of the principle of lateral inhibition. Second, on the basis of illusory phenomena and stabilized retinal images, we point out that the retina does not code the absolute luminance; the retina forwards a relative luminance sketch towards higher levels of the visual system. However, at the level of conscious processing the perceptual counterpart of absolute luminance, brightness, is available. Therefore, it is reasonable to assume that a reconstruction process is carried out by the visual system, which recovers the inner representation that corresponds to the retinal light distribution from the coded relative luminance sketch. We provide an illustrative description of a computational model of this reconstruction process. The basis of the reconstruction is a mathematically provable theorem, according to which if image P is produced from image I by Laplacian filtering, and then P is used as the sources and sinks of a homogeneous linear diffusion process, then the equilibrium of the diffusion will be identical to the original image I. We have illustrated this by a one-dimensional heat diffusion example, and by a series of test tubes connected to each other, also in one dimension. Brightness illusions are considered as a side effect of this diffusion-based reconstruction process. If the diffusion process deviates from the principle of homogeneous linearity, then the result of the reconstruction will deviate from the original image I. We showed a concrete illustration of this with regards to the Mach bands illusion: here we violated the principle of homogeneous linearity by means of inserting a small vertical tube serving as a serial resistance between each test tube and the horizontal connecting tube. This violation resulted in a change of water level in the source and the sink test tubes corresponding to the Mach bands illusion.
NASA Astrophysics Data System (ADS)
Tarlow, S.; Lev, E.; Zappa, C. J.; Karson, J.; Wysocki, B.
2011-12-01
Observation and investigation of surface cooling rates of active lava flows can help constrain thermal parameters necessary for creating of more precise lava flow models. To understand how the lava cools, temperature data was collected using an infrared video camera. We explored three models of the release of heat from lava stream; one based on heat conduction, another based on crust thickness and radiation, and a third model based on radiative cooling and variable crust thickness. The lava flow, part of the Syracuse University Lava Project (http://lavaproject.syr.edu), was made by pouring molten basalt at 1300 Celsius from a furnace into a narrow trench of sand. Hanging roughly 2 m over the trench, the infrared camera, records the lava's surface temperature for the duration of the flow. We determine the average surface temperature of the lava flow at a fixed location downstream as the mean of the lateral cross section of each frame of the IR imagery. From the recorded IR frames, we calculate the mean cross-channel temperature for each downstream distance. We then examine how this mean temperature evolves over time, and plot cooling curves for selected down-stream positions. We then compared the observed cooling behavior to that predicted by three cooling models: a conductive cooling model, a radiative cooling model with constant crust thickness, and a radiative cooling model with variable crust thickness. All three models are solutions to the one-dimensional heat equation. To create the best fit for the conductive model, we constrained thermal diffusivity and to create the best fit for the radiative model, we constrained crust thickness. From the comparison of our data to the models we can conclude that the lava flow's cooling is primarily driven by radiation.
Nie, Qi-Yang; Maurer, Mara; Müller, Hermann J; Conci, Markus
2016-05-01
Illusory Kanizsa figures demonstrate that a perceptually completed whole is more than the sum of its composite parts. In the current study, we explored part/whole relationships in object completion using the configural superiority effect (CSE) with illusory figures (Pomerantz & Portillo, 2011). In particular, we investigated to which extent the CSE is modulated by closure in target and distractor configurations. Our results demonstrated a typical CSE, with detection of a configural whole being more efficient than the detection of a corresponding part-level target. Moreover, the CSE was more pronounced when grouped objects were presented in distractors rather than in the target. A follow-up experiment systematically manipulated closure in whole target or, respectively, distractor configurations. The results revealed the effect of closure to be again stronger in distractor, rather than in target configurations, suggesting that closure primarily affects the inhibition of distractors, and to a lesser extent the selection of the target. In addition, a drift-diffusion model analysis of our data revealed that efficient distractor inhibition expedites the rate of evidence accumulation, with closure in distractors particularly speeding the drift toward the decision boundary. In sum, our findings demonstrate that the CSE in Kanizsa figures derives primarily from the inhibition of closed distractor objects, rather than being driven by a conspicuous target configuration. Altogether, these results support a fundamental role of inhibition in driving configural superiority effects in visual search.
Integrating O/S models during conceptual design, part 2
NASA Technical Reports Server (NTRS)
Ebeling, Charles E.
1994-01-01
This report documents the procedures for utilizing and maintaining the Reliability & Maintainability Model (RAM) developed by the University of Dayton for the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) under NASA research grant NAG-1-1327. The purpose of the grant is to provide support to NASA in establishing operational and support parameters and costs of proposed space systems. As part of this research objective, the model described here was developed. Additional documentation concerning the development of this model may be found in Part 1 of this report. This is the 2nd part of a 3 part technical report.
12 CFR Appendix A to Part 213 - Model Forms
Code of Federal Regulations, 2010 CFR
2010-01-01
... 12 Banks and Banking 2 2010-01-01 2010-01-01 false Model Forms A Appendix A to Part 213 Banks and Banking FEDERAL RESERVE SYSTEM BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM CONSUMER LEASING (REGULATION M) Pt. 213, App. A Appendix A to Part 213—Model Forms A-1Model Open-End or Finance Vehicle Lease Disclosures A-2Model Closed-End or...
Bifurcation and Turing patterns of reaction-diffusion activator-inhibitor model
NASA Astrophysics Data System (ADS)
Wu, Ranchao; Zhou, Yue; Shao, Yan; Chen, Liping
2017-09-01
Gierer-Meinhardt system is one of prototypical pattern formation models. Turing instability could induce various patterns in this system. Hopf bifurcation analysis and its direction are performed on such diffusive model in this paper, by employing normal form and center manifold reduction. The effects of diffusion on the stability of equilibrium point and the bifurcated limit cycle from Hopf bifurcation are investigated. It is found that under some conditions, diffusion-driven instability, i.e, Turing instability, about the equilibrium point and the bifurcated limit cycle will happen, which are stable without diffusion. Those diffusion-driven instabilities will lead to the occurrence of spatially nonhomogeneous solutions. As a result, some patterns, like stripe and spike solutions, will form. The explicit criteria about the stability and instability of the equilibrium point and the limit cycle in the system are derived, which could be readily applied. Further, numerical simulations are presented to illustrate theoretical analysis.
Turing pattern dynamics and adaptive discretization for a super-diffusive Lotka-Volterra model.
Bendahmane, Mostafa; Ruiz-Baier, Ricardo; Tian, Canrong
2016-05-01
In this paper we analyze the effects of introducing the fractional-in-space operator into a Lotka-Volterra competitive model describing population super-diffusion. First, we study how cross super-diffusion influences the formation of spatial patterns: a linear stability analysis is carried out, showing that cross super-diffusion triggers Turing instabilities, whereas classical (self) super-diffusion does not. In addition we perform a weakly nonlinear analysis yielding a system of amplitude equations, whose study shows the stability of Turing steady states. A second goal of this contribution is to propose a fully adaptive multiresolution finite volume method that employs shifted Grünwald gradient approximations, and which is tailored for a larger class of systems involving fractional diffusion operators. The scheme is aimed at efficient dynamic mesh adaptation and substantial savings in computational burden. A numerical simulation of the model was performed near the instability boundaries, confirming the behavior predicted by our analysis.
Diffusive flux in a model of stochastically gated oxygen transport in insect respiration
NASA Astrophysics Data System (ADS)
Berezhkovskii, Alexander M.; Shvartsman, Stanislav Y.
2016-05-01
Oxygen delivery to insect tissues is controlled by transport through a branched tubular network that is connected to the atmosphere by valve-like gates, known as spiracles. In certain physiological regimes, the spiracles appear to be randomly switching between open and closed states. Quantitative analysis of this regime leads a reaction-diffusion problem with stochastically switching boundary condition. We derive an expression for the diffusive flux at long times in this problem. Our approach starts with the derivation of the passage probability for a single particle that diffuses between a stochastically gated boundary, which models the opening and closing spiracle, and the perfectly absorbing boundary, which models oxygen absorption by the tissue. This passage probability is then used to derive an expression giving the diffusive flux as a function of the geometric parameters of the tube and characteristic time scales of diffusion and gate dynamics.
Radiative diffusivity factors in cirrus and stratocumulus clouds: Application to two-stream models
NASA Technical Reports Server (NTRS)
Stephens, Graeme L.; Flatau, P. J.; Tsay, S.-C.; Hein, Paul F.
1990-01-01
A diffusion-like description of radiative transfer in clouds and the free atmosphere is often used. The two stream model is probably the best known example of such a description. The main idea behind the approach is that only the first few moments of radiance are needed to describe the radiative field correctly. Integration smooths details of the angular distribution of specific intensity and it is assumed that the closure parameters of the theory (diffusivity factors) are only weakly dependent on the distribution. The diffusivity factors are investigated using the results obtained from both Stratocumulus and Cirrus phases of FIRE experiment. A new theoretical framework is described in which two (upwards and downwards) diffusivity factors are used and a detailed multistream model is used to provide further insight about both the diffusivity factors and their dependence on scattering properties of clouds.
Hierarchical Bass model: a product diffusion model considering a diversity of sensitivity to fashion
NASA Astrophysics Data System (ADS)
Tashiro, Tohru
2016-11-01
We propose a new product diffusion model including the number of how many adopters or advertisements a non-adopter met until he/she adopts the product, where (non-)adopters mean people (not) possessing it. By this effect not considered in the Bass model, we can depict a diversity of sensitivity to fashion. As an application, we utilize the model to fit the iPod and the iPhone unit sales data, and so the better agreement is obtained than the Bass model for the iPod data. We also present a new method to estimate the number of advertisements in a society from fitting parameters of the Bass model and this new model.
Comparison of kinetic and dynamical models of DNA-protein interaction and facilitated diffusion.
Florescu, Ana-Maria; Joyeux, Marc
2010-09-16
It has long been asserted that proteins such as transcription factors may locate their target in DNA sequences at rates that surpass by several orders of magnitude the three-dimensional diffusion limit thanks to facilitated diffusion, that is, the combination of one-dimensional (sliding along the DNA) and three-dimensional diffusion. This claim has been supported throughout the years by several mass action kinetic models, while the dynamical model we proposed recently (J. Chem. Phys. 2009, 130, 015103) suggests that acceleration of targeting due to facilitated diffusion cannot be large. In order to solve this apparent contradiction, we performed additional simulations to compare the results obtained with our model to those obtained with the kinetic model of Klenin et al. (Phys. Rev. Lett. 2006, 96, 018104). We show in this paper that the two models actually support each other and agree in predicting a low efficiency for facilitated diffusion. Extrapolation of these results to real systems even indicates that facilitated diffusion necessarily slows down the targeting process compared to three-dimensional diffusion.
Xu, X; Sumption, M D
2016-01-12
In this work we explore the compositions of non-stoichiometric intermediate phases formed by diffusion reactions: a mathematical framework is developed and tested against the specific case of Nb3Sn superconductors. In the first part, the governing equations for the bulk diffusion and inter-phase interface reactions during the growth of a compound are derived, numerical solutions to which give both the composition profile and growth rate of the compound layer. The analytic solutions are obtained with certain approximations made. In the second part, we explain an effect that the composition characteristics of compounds can be quite different depending on whether it is the bulk diffusion or grain boundary diffusion that dominates in the compounds, and that "frozen" bulk diffusion leads to unique composition characteristics that the bulk composition of a compound layer remains unchanged after its initial formation instead of varying with the diffusion reaction system; here the model is modified for the case of grain boundary diffusion. Finally, we apply this model to the Nb3Sn superconductors and propose approaches to control their compositions.
Xu, X.; Sumption, M. D.
2016-01-12
In this work we explore the compositions of non-stoichiometric intermediate phases formed by diffusion reactions: a mathematical framework is developed and tested against the specific case of Nb_{3}Sn superconductors. In the first part, the governing equations for the bulk diffusion and interphase interface reactions during the growth of a compound are derived, numerical solutions to which give both the composition profile and growth rate of the compound layer. The analytic solutions are obtained with certain approximations made. In the second part, we explain an effect that the composition characteristics of compounds can be quite different depending on whether it is the bulk diffusion or grain boundary diffusion that dominates in the compounds, and that “frozen” bulk diffusion leads to unique composition characteristics that the bulk composition of a compound layer remains unchanged after its initial formation instead of varying with the diffusion reaction system; here the model is modified for the case of grain boundary diffusion. Lastly, we apply this model to the Nb_{3}Sn superconductors and propose approaches to control their compositions.
Xu, X.; Sumption, M. D.
2016-01-12
In this work we explore the compositions of non-stoichiometric intermediate phases formed by diffusion reactions: a mathematical framework is developed and tested against the specific case of Nb3Sn superconductors. In the first part, the governing equations for the bulk diffusion and interphase interface reactions during the growth of a compound are derived, numerical solutions to which give both the composition profile and growth rate of the compound layer. The analytic solutions are obtained with certain approximations made. In the second part, we explain an effect that the composition characteristics of compounds can be quite different depending on whether it ismore » the bulk diffusion or grain boundary diffusion that dominates in the compounds, and that “frozen” bulk diffusion leads to unique composition characteristics that the bulk composition of a compound layer remains unchanged after its initial formation instead of varying with the diffusion reaction system; here the model is modified for the case of grain boundary diffusion. Lastly, we apply this model to the Nb3Sn superconductors and propose approaches to control their compositions.« less
Optimal prediction for moment models: crescendo diffusion and reordered equations
NASA Astrophysics Data System (ADS)
Seibold, Benjamin; Frank, Martin
2009-12-01
A direct numerical solution of the radiative transfer equation or any kinetic equation is typically expensive, since the radiative intensity depends on time, space and direction. An expansion in the direction variables yields an equivalent system of infinitely many moments. A fundamental problem is how to truncate the system. Various closures have been presented in the literature. We want to generally study the moment closure within the framework of optimal prediction, a strategy to approximate the mean solution of a large system by a smaller system, for radiation moment systems. We apply this strategy to radiative transfer and show that several closures can be re-derived within this framework, such as P N , diffusion, and diffusion correction closures. In addition, the formalism gives rise to new parabolic systems, the reordered P N equations, that are similar to the simplified P N equations. Furthermore, we propose a modification to existing closures. Although simple and with no extra cost, this newly derived crescendo diffusion yields better approximations in numerical tests.
Effective diffusivity in the middle atmosphere based on general circulation model winds
NASA Astrophysics Data System (ADS)
Kostrykin, S. V.; Schmitz, G.
2006-01-01
The mixing of a passive tracer in the stratosphere and lower mesosphere is studied on the basis of the effective diffusivity, which is obtained in the framework of the tracer-based coordinate system. This characteristic is proportional to the average diffusion flux over Lagrangian contours and inversely proportional to the mean tracer gradient. The tracer distribution used in the calculation of the effective diffusivity is obtained after integration of the advection-diffusion equation using general circulation model winds and a new numerical advection scheme with small numerical diffusivity. Using some theoretical and experimental arguments, it is shown that the interpretation of the seasonal variability of the effective diffusivity field cannot be done on the basis of the momentary wind field alone, but some flow history should be taken into account. The climatology of the effective diffusivity for different months is presented up to the lower mesosphere and compared with previous studies. In the stratosphere some new features of the effective diffusivity distribution are obtained. For example, there is a local maximum of the effective diffusivity at midlatitudes of the Northern Hemisphere of the summer middle stratosphere. The effective diffusivity fields in the lower mesosphere show a strong increase of the mean effective diffusivity from the upper stratosphere to the lower mesosphere and the existence of a complex latitudinal structure of the effective diffusivity at mesospheric heights. In the lower mesosphere there is a marked interannual variability during the Southern Hemisphere easterly wind development. A possible explanation for the obtained structure is discussed on the basis of in situ Rossby wave generation and Rossby-wave-breaking effects.
Cellular automata models for diffusion of information and highway traffic flow
NASA Astrophysics Data System (ADS)
Fuks, Henryk
In the first part of this work we study a family of deterministic models for highway traffic flow which generalize cellular automaton rule 184. This family is parameterized by the speed limit m and another parameter k that represents degree of 'anticipatory driving'. We compare two driving strategies with identical maximum throughput: 'conservative' driving with high speed limit and 'anticipatory' driving with low speed limit. Those two strategies are evaluated in terms of accident probability. We also discuss fundamental diagrams of generalized traffic rules and examine limitations of maximum achievable throughput. Possible modifications of the model are considered. For rule 184, we present exact calculations of the order parameter in a transition from the moving phase to the jammed phase using the method of preimage counting, and use this result to construct a solution to the density classification problem. In the second part we propose a probabilistic cellular automaton model for the spread of innovations, rumors, news, etc., in a social system. We start from simple deterministic models, for which exact expressions for the density of adopters are derived. For a more realistic model, based on probabilistic cellular automata, we study the influence of a range of interaction R on the shape of the adoption curve. When the probability of adoption is proportional to the local density of adopters, and individuals can drop the innovation with some probability p, the system exhibits a second order phase transition. Critical line separating regions of parameter space in which asymptotic density of adopters is positive from the region where it is equal to zero converges toward the mean-field line when the range of the interaction increases. In a region between R=1 critical line and the mean-field line asymptotic density of adopters depends on R, becoming zero if R is too small (smaller than some critical value). This result demonstrates the importance of connectivity in
Measuring and modeling diffuse scattering in protein X-ray crystallography
Van Benschoten, Andrew H.; Liu, Lin; Gonzalez, Ana; Brewster, Aaron S.; Sauter, Nicholas K.; Fraser, James S.; Wall, Michael E.
2016-03-28
X-ray diffraction has the potential to provide rich information about the structural dynamics of macromolecules. To realize this potential, both Bragg scattering, which is currently used to derive macromolecular structures, and diffuse scattering, which reports on correlations in charge density variations, must be measured. Until now, measurement of diffuse scattering from protein crystals has been scarce because of the extra effort of collecting diffuse data. Here, we present 3D measurements of diffuse intensity collected from crystals of the enzymes cyclophilin A and trypsin. The measurements were obtained from the same X-ray diffraction images as the Bragg data, using best practices for standard data collection. To model the underlying dynamics in a practical way that could be used during structure refinement, we tested translation–libration–screw (TLS), liquid-like motions (LLM), and coarse-grained normal-modes (NM) models of protein motions. The LLM model provides a global picture of motions and was refined against the diffuse data, whereas the TLS and NM models provide more detailed and distinct descriptions of atom displacements, and only used information from the Bragg data. Whereas different TLS groupings yielded similar Bragg intensities, they yielded different diffuse intensities, none of which agreed well with the data. In contrast, both the LLM and NM models agreed substantially with the diffuse data. In conclusion, these results demonstrate a realistic path to increase the number of diffuse datasets available to the wider biosciences community and indicate that dynamics-inspired NM structural models can simultaneously agree with both Bragg and diffuse scattering.
Measuring and modeling diffuse scattering in protein X-ray crystallography
Van Benschoten, Andrew H.; Liu, Lin; Gonzalez, Ana; ...
2016-03-28
X-ray diffraction has the potential to provide rich information about the structural dynamics of macromolecules. To realize this potential, both Bragg scattering, which is currently used to derive macromolecular structures, and diffuse scattering, which reports on correlations in charge density variations, must be measured. Until now, measurement of diffuse scattering from protein crystals has been scarce because of the extra effort of collecting diffuse data. Here, we present 3D measurements of diffuse intensity collected from crystals of the enzymes cyclophilin A and trypsin. The measurements were obtained from the same X-ray diffraction images as the Bragg data, using best practicesmore » for standard data collection. To model the underlying dynamics in a practical way that could be used during structure refinement, we tested translation–libration–screw (TLS), liquid-like motions (LLM), and coarse-grained normal-modes (NM) models of protein motions. The LLM model provides a global picture of motions and was refined against the diffuse data, whereas the TLS and NM models provide more detailed and distinct descriptions of atom displacements, and only used information from the Bragg data. Whereas different TLS groupings yielded similar Bragg intensities, they yielded different diffuse intensities, none of which agreed well with the data. In contrast, both the LLM and NM models agreed substantially with the diffuse data. In conclusion, these results demonstrate a realistic path to increase the number of diffuse datasets available to the wider biosciences community and indicate that dynamics-inspired NM structural models can simultaneously agree with both Bragg and diffuse scattering.« less
A Functional Model for Teaching Osmosis-Diffusion to Biology Students
ERIC Educational Resources Information Center
Olsen, Richard W.; Petry, Douglas E.
1976-01-01
Described is a maternal-fetal model, operated by the student, to teach osmosis-diffusion to biology students. Included are materials needed, assembly instructions, and student operating procedures. (SL)
A Functional Model for Teaching Osmosis-Diffusion to Biology Students
ERIC Educational Resources Information Center
Olsen, Richard W.; Petry, Douglas E.
1976-01-01
Described is a maternal-fetal model, operated by the student, to teach osmosis-diffusion to biology students. Included are materials needed, assembly instructions, and student operating procedures. (SL)
Wang, Zhiwu; Hamilton-Brehm, Scott; Lochner, Adriane; Elkins, James G; Morrell-Falvey, Jennifer L
2011-01-01
Abstract: The morphological and structural properties of microbial biofilms are influenced by internal substrate diffusion and utilization processes. In the case of microbial hydrolysis of plant cell walls, only thin and uniform biofilm structures are typically formed by cellulolytic microorganisms. In this study, we develop a hydrolysate diffusion and utilization model system to examine factors influencing cellulolytic biofilm formation. Model simulations using Caldicellulosiruptor obsidiansis as a representative organism, reveal that the growth of the cellulolytic biofilm is limited by hydrolysate utilization but not diffusion. As a consequence, the cellulolytic biofilm has a uniform growth rate, and there is a hydrolysate surplus that diffuses through the cellulolytic biofilm into the bulk solution where it is consumed by planktonic cells. Predictions based on the model were tested in a cellulose fermentation study and the results are consistent with the model and previously reported experimental data. The factors determining the rate-limiting step of biofilm growth are also analyzed.
Turing instability and travelling waves in diffusive plankton models with delayed nutrient recycling
NASA Astrophysics Data System (ADS)
Ruan, S.
1998-09-01
In this paper we propose a reaction-diffusion system with two distributed delays to stimulate the growth of plankton communities in the lakes/oceans in which the plankton feeds on a limiting nutrient supplied at a constant rate. The limiting nutrient is partially recycled after the death of the organisms and a distributed delay is used to model nutrient recycling. The second delay is involved in the growth response of the plankton to nutrient uptake. We first show that there are oscillations (Hopf bifurcations) in the delay model induced by the second delay. Then we study Turing (diffusion-driven) instability of the reaction-diffusion system with delay. Finally, it is shown that if the delay model has a stable periodic solution, then the corresponding reaction-diffusion model with delay has a family of travelling waves.
Woo, Jiyoung; Chen, Hsinchun
2016-01-01
As social media has become more prevalent, its influence on business, politics, and society has become significant. Due to easy access and interaction between large numbers of users, information diffuses in an epidemic style on the web. Understanding the mechanisms of information diffusion through these new publication methods is important for political and marketing purposes. Among social media, web forums, where people in online communities disseminate and receive information, provide a good environment for examining information diffusion. In this paper, we model topic diffusion in web forums using the epidemiology model, the susceptible-infected-recovered (SIR) model, frequently used in previous research to analyze both disease outbreaks and knowledge diffusion. The model was evaluated on a large longitudinal dataset from the web forum of a major retail company and from a general political discussion forum. The fitting results showed that the SIR model is a plausible model to describe the diffusion process of a topic. This research shows that epidemic models can expand their application areas to topic discussion on the web, particularly social media such as web forums.
Modeling of tower relief dynamics: Part 1
Cassata, J.R.; Dasgupta, S.; Gandhi, S.L. )
1993-10-01
In an environmentally responsible, safe and health-conscious design, a relief system must contain all relieving gases or vapors. The system must include treatment of these gases or vapors in a flare, scrubber or other appropriate device prior to discharge to the atmosphere. The benefit of a dynamic simulation is most significant in designing these systems. Dynamic modeling provides accurate answers to key questions which must be addressed. It identifies the design-setting relief scenario for any possible upset such as loss of reflux, power failure, loss of cooling water, fire, etc. It accurately quantifies the maximum relief rate and time dependency of the relief rates. This permits a safe relief system design that is not overly conservative.
Wang, T K; Wan, M Y; Ko, F H; Tseng, C L
2001-05-01
The radioactive tracer technique was applied to investigate the out-diffusion of the transition metals (Cu, Fe and Co) from deep ultraviolet (DUV) photoresist into underlying substrate. Two important process parameters, viz., baking temperatures and substrate types (i.e., bare silicon, polysilicon, silicon oxide and silicon nitride), were evaluated. Results indicate that the out-diffusion of Co is insignificant, irrespective of the substrate type and baking temperature. The out-diffusion of Cu is significant for substrates of bare silicon and polysilicon but not for silicon oxide and nitride; for Fe, the story is reversed. The substrate type appears to strongly affect the diffusion, while the baking temperature does not. Also, the effect of solvent evaporation was found to play an important role in impurity diffusion. Using the method of numerical analysis, a diffusion profile was depicted in this work to describe the out-diffusion of metallic impurities from photoresist layer under various baking conditions. In addition, the effectiveness of various wet-cleaning recipes in removing metallic impurities such as Cu, Fe and Co was also studied using the radioactive tracer technique. Among the six cleaning solutions studied, SC2 and SPM are the most effective in impurity removal. An out-diffusion cleaning model was first proposed to describe the cleaning process. A new cleaning coefficient, h(T), was suggested to explain the cleaning effect. The cleaning model could explain the tracer results.
A novel tensor distribution model for the diffusion-weighted MR signal✩
Jian, Bing; Vemuri, Baba C.; Özarslan, Evren; Carney, Paul R.; Mareci, Thomas H.
2008-01-01
Diffusion MRI is a non-invasive imaging technique that allows the measurement of water molecule diffusion through tissue in vivo. The directional features of water diffusion allow one to infer the connectivity patterns prevalent in tissue and possibly track changes in this connectivity over time for various clinical applications. In this paper, we present a novel statistical model for diffusion-weighted MR signal attenuation which postulates that the water molecule diffusion can be characterized by a continuous mixture of diffusion tensors. An interesting observation is that this continuous mixture and the MR signal attenuation are related through the Laplace transform of a probability distribution over symmetric positive definite matrices. We then show that when the mixing distribution is a Wishart distribution, the resulting closed form of the Laplace transform leads to a Rigaut-type asymptotic fractal expression, which has been phenomenologically used in the past to explain the MR signal decay but never with a rigorous mathematical justification until now. Our model not only includes the traditional diffusion tensor model as a special instance in the limiting case, but also can be adjusted to describe complex tissue structure involving multiple fiber populations. Using this new model in conjunction with a spherical deconvolution approach, we present an efficient scheme for estimating the water molecule displacement probability functions on a voxel-by-voxel basis. Experimental results on both simulations and real data are presented to demonstrate the robustness and accuracy of the proposed algorithms. PMID:17570683
Diffusion of PAH in potato and carrot slices and application for a potato model.
Trapp, Stefan; Cammarano, Anita; Capri, Ettore; Reichenberg, Fredrik; Mayer, Philipp
2007-05-01
A method for quantifying the effect of medium composition on the diffusive mass transfer of hydrophobic organic chemicals through thin layers was applied to plant tissue. The method employs two silicone disks, one serving as source and one as sink for a series of PAHs diffusing through thin layers of water, potato tissue, and carrot tissue. Naphthalene, phenanthrene, anthracene, and fluoranthene served as model substances. Their transfer from source to sink disk was measured by HPLC to determine a velocity rate constant proportional to the diffusive conductivity. The diffusive flux through the plant tissue was modeled using Fick's first law of diffusion. Both the experimental results and the model suggest that mass transfer through plant tissue occurs predominantly through pore water and that, therefore, the mass transfer ratio between plant tissue and water is independent of the hydrophobicity of the chemical. The findings of this study provide a convenient method to estimate the diffusion of nonvolatile organic chemicals through various plant materials. The application to a radial diffusion model suggests that "growth dilution" rendersthe concentration of highly hydrophobic chemicals in potatoes below their equilibrium partitioning level. This is in agreement with field results for the bioconcentration of PAHs in potatoes.