The attentional drift-diffusion model extends to simple purchasing decisions.

PubMed

Krajbich, Ian; Lu, Dingchao; Camerer, Colin; Rangel, Antonio

2012-01-01

How do we make simple purchasing decisions (e.g., whether or not to buy a product at a given price)? Previous work has shown that the attentional drift-diffusion model (aDDM) can provide accurate quantitative descriptions of the psychometric data for binary and trinary value-based choices, and of how the choice process is guided by visual attention. Here we extend the aDDM to the case of purchasing decisions, and test it using an eye-tracking experiment. We find that the model also provides a reasonably accurate quantitative description of the relationship between choice, reaction time, and visual fixations using parameters that are very similar to those that best fit the previous data. The only critical difference is that the choice biases induced by the fixations are about half as big in purchasing decisions as in binary choices. This suggests that a similar computational process is used to make binary choices, trinary choices, and simple purchasing decisions.

The Attentional Drift-Diffusion Model Extends to Simple Purchasing Decisions

PubMed Central

Krajbich, Ian; Lu, Dingchao; Camerer, Colin; Rangel, Antonio

2012-01-01

How do we make simple purchasing decisions (e.g., whether or not to buy a product at a given price)? Previous work has shown that the attentional drift-diffusion model (aDDM) can provide accurate quantitative descriptions of the psychometric data for binary and trinary value-based choices, and of how the choice process is guided by visual attention. Here we extend the aDDM to the case of purchasing decisions, and test it using an eye-tracking experiment. We find that the model also provides a reasonably accurate quantitative description of the relationship between choice, reaction time, and visual fixations using parameters that are very similar to those that best fit the previous data. The only critical difference is that the choice biases induced by the fixations are about half as big in purchasing decisions as in binary choices. This suggests that a similar computational process is used to make binary choices, trinary choices, and simple purchasing decisions. PMID:22707945

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.

Diffusion models of the flanker task: Discrete versus gradual attentional selection

PubMed Central

White, Corey N.; Ratcliff, Roger; Starns, Jeffrey S.

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 manipulated response bias, speed/accuracy tradeoffs, attentional focus, and stimulus configuration. There was strong mimcry among the models, and each captured the main trends in the data for the standard conditions. However, when more complex conditions were used, a single-process spotlight model captured qualitative and quantitative patterns that the dual-process models could not. Since the single-process model provided the best balance of fit quality and parsimony, the results indicate that processing in the simple versions of the flanker task is better described by gradual rather than discrete narrowing of attention. PMID:21964663

Redundant correlation effect on personalized recommendation

NASA Astrophysics Data System (ADS)

Qiu, Tian; Han, Teng-Yue; Zhong, Li-Xin; Zhang, Zi-Ke; Chen, Guang

2014-02-01

The high-order redundant correlation effect is investigated for a hybrid algorithm of heat conduction and mass diffusion (HHM), through both heat conduction biased (HCB) and mass diffusion biased (MDB) correlation redundancy elimination processes. The HCB and MDB algorithms do not introduce any additional tunable parameters, but keep the simple character of the original HHM. Based on two empirical datasets, the Netflix and MovieLens, the HCB and MDB are found to show better recommendation accuracy for both the overall objects and the cold objects than the HHM algorithm. Our work suggests that properly eliminating the high-order redundant correlations can provide a simple and effective approach to accurate recommendation.

Correcting for diffusion in carbon-14 dating of ground water

USGS Publications Warehouse

Sanford, W.E.

1997-01-01

It has generally been recognized that molecular diffusion can be a significant process affecting the transport of carbon-14 in the subsurface when occurring either from a permeable aquifer into a confining layer or from a fracture into a rock matrix. An analytical solution that is valid for steady-state radionuclide transport through fractured rock is shown to be applicable to many multilayered aquifer systems. By plotting the ratio of the rate of diffusion to the rate of decay of carbon-14 over the length scales representative of several common hydrogeologic settings, it is demonstrated that diffusion of carbon-14 should often be not only a significant process, but a dominant one relative to decay. An age-correction formula is developed and applied to the Bangkok Basin of Thailand, where a mean carbon-14-based age of 21,000 years was adjusted to 11,000 years to account for diffusion. This formula and its graphical representation should prove useful for many studies, for they can be used first to estimate the potential role of diffusion and then to make a simple first-order age correction if necessary.It has generally been recognized that molecular diffusion can be a significant process affecting the transport of carbon-14 in the subsurface when occurring either from a permeable aquifer into a confining layer or from a fracture into a rock matrix. An analytical solution that is valid for steady-state radionuclide transport through fractured rock is shown to be applicable to many multilayered aquifer systems. By plotting the ratio of the rate of diffusion to the rate of decay of carbon-14 over the length scales representative of several common hydrogeologic settings, it is demonstrated that diffusion of carbon-14 should often be not only a significant process, but a dominant one relative to decay. An age-correction formula is developed and applied to the Bangkok Basin of Thailand, where a mean carbon-14-based age of 21,000 years was adjusted to 11,000 years to account for diffusion. This formula and its graphical representation should prove useful for many studies, for they can be used first to estimate the potential role of diffusion and then to make a simple first-order age correction if necessary.

Rotationally invariant clustering of diffusion MRI data using spherical harmonics

NASA Astrophysics Data System (ADS)

Liptrot, Matthew; Lauze, François

2016-03-01

We present a simple approach to the voxelwise classification of brain tissue acquired with diffusion weighted MRI (DWI). The approach leverages the power of spherical harmonics to summarise the diffusion information, sampled at many points over a sphere, using only a handful of coefficients. We use simple features that are invariant to the rotation of the highly orientational diffusion data. This provides a way to directly classify voxels whose diffusion characteristics are similar yet whose primary diffusion orientations differ. Subsequent application of machine-learning to the spherical harmonic coefficients therefore may permit classification of DWI voxels according to their inferred underlying fibre properties, whilst ignoring the specifics of orientation. After smoothing apparent diffusion coefficients volumes, we apply a spherical harmonic transform, which models the multi-directional diffusion data as a collection of spherical basis functions. We use the derived coefficients as voxelwise feature vectors for classification. Using a simple Gaussian mixture model, we examined the classification performance for a range of sub-classes (3-20). The results were compared against existing alternatives for tissue classification e.g. fractional anisotropy (FA) or the standard model used by Camino.1 The approach was implemented on both two publicly-available datasets: an ex-vivo pig brain and in-vivo human brain from the Human Connectome Project (HCP). We have demonstrated how a robust classification of DWI data can be performed without the need for a model reconstruction step. This avoids the potential confounds and uncertainty that such models may impose, and has the benefit of being computable directly from the DWI volumes. As such, the method could prove useful in subsequent pre-processing stages, such as model fitting, where it could inform about individual voxel complexities and improve model parameter choice.

CCR scientists tease out mechanisms of immune cell communication | Center for Cancer Research

Cancer.gov

Researchers from the Cancer and Inflammation Program at the Center for Cancer Research and the Ben-Gurion University of the Negev in Israel have discovered that the simple processes of molecular diffusion and absorption control the spread of cytokines through dense body tissues. The simple control mechanisms enable the immune response to tailor itself to the nature and

Diffusion processes in tumors: A nuclear medicine approach

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

Amaya, Helman, E-mail: haamayae@unal.edu.co

The number of counts used in nuclear medicine imaging techniques, only provides physical information about the desintegration of the nucleus present in the the radiotracer molecules that were uptaken in a particular anatomical region, but that information is not a real metabolic information. For this reason a mathematical method was used to find a correlation between number of counts and {sup 18}F-FDG mass concentration. This correlation allows a better interpretation of the results obtained in the study of diffusive processes in an agar phantom, and based on it, an image from the PETCETIX DICOM sample image set from OsiriX-viewer softwaremore » was processed. PET-CT gradient magnitude and Laplacian images could show direct information on diffusive processes for radiopharmaceuticals that enter into the cells by simple diffusion. In the case of the radiopharmaceutical {sup 18}F-FDG is necessary to include pharmacokinetic models, to make a correct interpretation of the gradient magnitude and Laplacian of counts images.« less

Dynamics of non-Markovian exclusion processes

NASA Astrophysics Data System (ADS)

Khoromskaia, Diana; Harris, Rosemary J.; Grosskinsky, Stefan

2014-12-01

Driven diffusive systems are often used as simple discrete models of collective transport phenomena in physics, biology or social sciences. Restricting attention to one-dimensional geometries, the asymmetric simple exclusion process (ASEP) plays a paradigmatic role to describe noise-activated driven motion of entities subject to an excluded volume interaction and many variants have been studied in recent years. While in the standard ASEP the noise is Poissonian and the process is therefore Markovian, in many applications the statistics of the activating noise has a non-standard distribution with possible memory effects resulting from internal degrees of freedom or external sources. This leads to temporal correlations and can significantly affect the shape of the current-density relation as has been studied recently for a number of scenarios. In this paper we report a general framework to derive the fundamental diagram of ASEPs driven by non-Poissonian noise by using effectively only two simple quantities, viz., the mean residual lifetime of the jump distribution and a suitably defined temporal correlation length. We corroborate our results by detailed numerical studies for various noise statistics under periodic boundary conditions and discuss how our approach can be applied to more general driven diffusive systems.

Analytical approximations for spatial stochastic gene expression in single cells and tissues

PubMed Central

Smith, Stephen; Cianci, Claudia; Grima, Ramon

2016-01-01

Gene expression occurs in an environment in which both stochastic and diffusive effects are significant. Spatial stochastic simulations are computationally expensive compared with their deterministic counterparts, and hence little is currently known of the significance of intrinsic noise in a spatial setting. Starting from the reaction–diffusion master equation (RDME) describing stochastic reaction–diffusion processes, we here derive expressions for the approximate steady-state mean concentrations which are explicit functions of the dimensionality of space, rate constants and diffusion coefficients. The expressions have a simple closed form when the system consists of one effective species. These formulae show that, even for spatially homogeneous systems, mean concentrations can depend on diffusion coefficients: this contradicts the predictions of deterministic reaction–diffusion processes, thus highlighting the importance of intrinsic noise. We confirm our theory by comparison with stochastic simulations, using the RDME and Brownian dynamics, of two models of stochastic and spatial gene expression in single cells and tissues. PMID:27146686

High angular resolution diffusion imaging with stimulated echoes: compensation and correction in experiment design and analysis.

PubMed

Lundell, Henrik; Alexander, Daniel C; Dyrby, Tim B

2014-08-01

Stimulated echo acquisition mode (STEAM) diffusion MRI can be advantageous over pulsed-gradient spin-echo (PGSE) for diffusion times that are long compared with T2 . It therefore has potential for biomedical diffusion imaging applications at 7T and above where T2 is short. However, gradient pulses other than the diffusion gradients in the STEAM sequence contribute much greater diffusion weighting than in PGSE and lead to a disrupted experimental design. Here, we introduce a simple compensation to the STEAM acquisition that avoids the orientational bias and disrupted experiment design that these gradient pulses can otherwise produce. The compensation is simple to implement by adjusting the gradient vectors in the diffusion pulses of the STEAM sequence, so that the net effective gradient vector including contributions from diffusion and other gradient pulses is as the experiment intends. High angular resolution diffusion imaging (HARDI) data were acquired with and without the proposed compensation. The data were processed to derive standard diffusion tensor imaging (DTI) maps, which highlight the need for the compensation. Ignoring the other gradient pulses, a bias in DTI parameters from STEAM acquisition is found, due both to confounds in the analysis and the experiment design. Retrospectively correcting the analysis with a calculation of the full B matrix can partly correct for these confounds, but an acquisition that is compensated as proposed is needed to remove the effect entirely. © 2014 The Authors. NMR in Biomedicine published by John Wiley & Sons, Ltd.

The Attentional Drift Diffusion Model of Simple Perceptual Decision-Making.

PubMed

Tavares, Gabriela; Perona, Pietro; Rangel, Antonio

2017-01-01

Perceptual decisions requiring the comparison of spatially distributed stimuli that are fixated sequentially might be influenced by fluctuations in visual attention. We used two psychophysical tasks with human subjects to investigate the extent to which visual attention influences simple perceptual choices, and to test the extent to which the attentional Drift Diffusion Model (aDDM) provides a good computational description of how attention affects the underlying decision processes. We find evidence for sizable attentional choice biases and that the aDDM provides a reasonable quantitative description of the relationship between fluctuations in visual attention, choices and reaction times. We also find that exogenous manipulations of attention induce choice biases consistent with the predictions of the model.

Angiogenesis assays.

PubMed

Mydlo, J H

2001-01-01

Angiogenesis-the formation of a vascular network-is essential for the support of a developing tumor when simple diffusion of nutrients is impossible. The ability of a solid tumor to achieve metabolic needs beyond simple diffusion is dependent on the development of this neovascular network. The process of angiogenesis lets the tumor become self-sufficient to grow, and also gives it the ability to metastasize. Growth factors added to human-vein endothelial cells in culture may demonstrate tubularization of cells, but this does not necessarily imply angiogenesis. True in vivo angiogenesis means not only the mobilization of endothelial cells, but the degradation of the matrix and the formation of vessel sprouts in a network that can transport red blood cells (RBCs).

A simple model of the effect of ocean ventilation on ocean heat uptake

NASA Astrophysics Data System (ADS)

Nadiga, Balu; Urban, Nathan

2017-11-01

Transport of water from the surface mixed layer into the ocean interior is achieved, in large part, by the process of ventilation-a process associated with outcropping isopycnals. Starting from such a configuration of outcropping isopycnals, we derive a simple model of the effect of ventilation on ocean uptake of anomalous radiative forcing. This model can be seen as an improvement of the popular anomaly-diffusing class of energy balance models (AD-EBM) that are routinely employed to analyze and emulate the warming response of both observed and simulated Earth system. We demonstrate that neither multi-layer, nor continuous-diffusion AD-EBM variants can properly represent both surface-warming and the vertical distribution of ocean heat uptake. The new model overcomes this deficiency. The simplicity of the models notwithstanding, the analysis presented and the necessity of the modification is indicative of the role played by processes related to the down-welling branch of global ocean circulation in shaping the vertical distribution of ocean heat uptake.

Modeling Simple Driving Tasks with a One-Boundary Diffusion Model

PubMed Central

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

Computing diffusivities from particle models out of equilibrium

NASA Astrophysics Data System (ADS)

Embacher, Peter; Dirr, Nicolas; Zimmer, Johannes; Reina, Celia

2018-04-01

A new method is proposed to numerically extract the diffusivity of a (typically nonlinear) diffusion equation from underlying stochastic particle systems. The proposed strategy requires the system to be in local equilibrium and have Gaussian fluctuations but it is otherwise allowed to undergo arbitrary out-of-equilibrium evolutions. This could be potentially relevant for particle data obtained from experimental applications. The key idea underlying the method is that finite, yet large, particle systems formally obey stochastic partial differential equations of gradient flow type satisfying a fluctuation-dissipation relation. The strategy is here applied to three classic particle models, namely independent random walkers, a zero-range process and a symmetric simple exclusion process in one space dimension, to allow the comparison with analytic solutions.

Communication: Probing anomalous diffusion in frequency space

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

Stachura, Sławomir; Synchrotron Soleil, L’Orme de Merisiers, 91192 Gif-sur-Yvette; Kneller, Gerald R., E-mail: gerald.kneller@cnrs-orleans.fr

Anomalous diffusion processes are usually detected by analyzing the time-dependent mean square displacement of the diffusing particles. The latter evolves asymptotically as W(t) ∼ 2D{sub α}t{sup α}, where D{sub α} is the fractional diffusion constant and 0 < α < 2. In this article we show that both D{sub α} and α can also be extracted from the low-frequency Fourier spectrum of the corresponding velocity autocorrelation function. This offers a simple method for the interpretation of quasielastic neutron scattering spectra from complex (bio)molecular systems, in which subdiffusive transport is frequently encountered. The approach is illustrated and validated by analyzing molecularmore » dynamics simulations of molecular diffusion in a lipid POPC bilayer.« less

On the Chemical Mixing Induced by Internal Gravity Waves

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

Rogers, T. M.; McElwaine, J. N.

Detailed modeling of stellar evolution requires a better understanding of the (magneto)hydrodynamic processes that mix chemical elements and transport angular momentum. Understanding these processes is crucial if we are to accurately interpret observations of chemical abundance anomalies, surface rotation measurements, and asteroseismic data. Here, we use two-dimensional hydrodynamic simulations of the generation and propagation of internal gravity waves in an intermediate-mass star to measure the chemical mixing induced by these waves. We show that such mixing can generally be treated as a diffusive process. We then show that the local diffusion coefficient does not depend on the local fluid velocity,more » but rather on the wave amplitude. We then use these findings to provide a simple parameterization for this diffusion, which can be incorporated into stellar evolution codes and tested against observations.« less

Passive Membrane Permeability: Beyond the Standard Solubility-Diffusion Model.

PubMed

Parisio, Giulia; Stocchero, Matteo; Ferrarini, Alberta

2013-12-10

The spontaneous diffusion of solutes through lipid bilayers is still a challenge for theoretical predictions. Since permeation processes remain beyond the capabilities of unbiased molecular dynamics simulations, an alternative strategy is currently adopted to gain insight into their mechanism and time scale. This is based on a monodimensional description of the translocation process only in terms of the position of the solute along the normal to the lipid bilayer, which is formally expressed in the solubility-diffusion model. Actually, a role of orientational and conformational motions has been pointed out, and the use of advanced simulation techniques has been proposed to take into account their effect. Here, we discuss the limitations of the standard solubility-diffusion approach and propose a more general description of membrane translocation as a diffusion process on a free energy surface, which is a function of the translational and rotational degrees of freedom of the molecule. Simple expressions for the permeability coefficient are obtained under suitable conditions. For fast solute reorientation, the classical solubility-diffusion equation is recovered. Under the assumption that well-defined minima can be identified on the free energy landscape, a mechanistic interpretation of the permeability coefficient in terms of all possible permeation paths is given.

On Entropy Production in the Madelung Fluid and the Role of Bohm's Potential in Classical Diffusion

NASA Astrophysics Data System (ADS)

Heifetz, Eyal; Tsekov, Roumen; Cohen, Eliahu; Nussinov, Zohar

2016-07-01

The Madelung equations map the non-relativistic time-dependent Schrödinger equation into hydrodynamic equations of a virtual fluid. While the von Neumann entropy remains constant, we demonstrate that an increase of the Shannon entropy, associated with this Madelung fluid, is proportional to the expectation value of its velocity divergence. Hence, the Shannon entropy may grow (or decrease) due to an expansion (or compression) of the Madelung fluid. These effects result from the interference between solutions of the Schrödinger equation. Growth of the Shannon entropy due to expansion is common in diffusive processes. However, in the latter the process is irreversible while the processes in the Madelung fluid are always reversible. The relations between interference, compressibility and variation of the Shannon entropy are then examined in several simple examples. Furthermore, we demonstrate that for classical diffusive processes, the "force" accelerating diffusion has the form of the positive gradient of the quantum Bohm potential. Expressing then the diffusion coefficient in terms of the Planck constant reveals the lower bound given by the Heisenberg uncertainty principle in terms of the product between the gas mean free path and the Brownian momentum.

The role of fractional time-derivative operators on anomalous diffusion

NASA Astrophysics Data System (ADS)

Tateishi, Angel A.; Ribeiro, Haroldo V.; Lenzi, Ervin K.

2017-10-01

The generalized diffusion equations with fractional order derivatives have shown be quite efficient to describe the diffusion in complex systems, with the advantage of producing exact expressions for the underlying diffusive properties. Recently, researchers have proposed different fractional-time operators (namely: the Caputo-Fabrizio and Atangana-Baleanu) which, differently from the well-known Riemann-Liouville operator, are defined by non-singular memory kernels. Here we proposed to use these new operators to generalize the usual diffusion equation. By analyzing the corresponding fractional diffusion equations within the continuous time random walk framework, we obtained waiting time distributions characterized by exponential, stretched exponential, and power-law functions, as well as a crossover between two behaviors. For the mean square displacement, we found crossovers between usual and confined diffusion, and between usual and sub-diffusion. We obtained the exact expressions for the probability distributions, where non-Gaussian and stationary distributions emerged. This former feature is remarkable because the fractional diffusion equation is solved without external forces and subjected to the free diffusion boundary conditions. We have further shown that these new fractional diffusion equations are related to diffusive processes with stochastic resetting, and to fractional diffusion equations with derivatives of distributed order. Thus, our results suggest that these new operators may be a simple and efficient way for incorporating different structural aspects into the system, opening new possibilities for modeling and investigating anomalous diffusive processes.

Mechanically Assisted Self-Healing of Ultrathin Gold Nanowires.

PubMed

Wang, Binjun; Han, Ying; Xu, Shang; Qiu, Lu; Ding, Feng; Lou, Jun; Lu, Yang

2018-04-17

As the critical feature sizes of integrated circuits approaching sub-10 nm, ultrathin gold nanowires (diameter <10 nm) have emerged as one of the most promising candidates for next-generation interconnects in nanoelectronics. Also due to their ultrasmall dimensions, however, the structures and morphologies of ultrathin gold nanowires are more prone to be damaged during practical services, for example, Rayleigh instability can significantly alter their morphologies upon Joule heating, hindering their applications as interconnects. Here, it is shown that upon mechanical perturbations, predamaged, nonuniform ultrathin gold nanowires can quickly recover into uniform diameters and restore their smooth surfaces, via a simple mechanically assisted self-healing process. By examining the local self-healing process through in situ high-resolution transmission electron microscopy, the underlying mechanism is believed to be associated with surface atomic diffusion as evidenced by molecular dynamics simulations. In addition, mechanical manipulation can assist the atoms to overcome the diffusion barriers, as suggested by ab initio calculations, to activate more surface adatoms to diffuse and consequently speed up the self-healing process. This result can provide a facile method to repair ultrathin metallic nanowires directly in functional devices, and quickly restore their microstructures and morphologies by simple global mechanical perturbations. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gettering in multicrystalline silicon: A design-of-experiments approach

NASA Astrophysics Data System (ADS)

Schubert, W. K.

1994-12-01

Design-of-experiment methods were used to study gettering due to phosphorus diffusion and aluminum alloying in four industrial multicrystalline silicon materials: Silicon-Film material from AstroPower, heat-exchanger method (HEM) material from Crystal Systems, edge-defined film-fed growth (EFG) material from Mobil Solar, and cast material from Solarex. Time and temperature for the diffusion and alloy processes were chosen for a four-factor quadratic interaction experiment. Simple diagnostic devices were used to evaluate the gettering. Only EFG and HEM materials exhibited statistically significant gettering effects within the ranges used for the various parameters. Diffusion and alloying temperature were significant for HEM material; also there was a second-order interaction between the diffusion time and temperature. There was no interaction between the diffusion and alloying processes in HEM material. EFG material showed a first-order dependence on diffusion temperature and a second-order interaction between the diffusion temperature and the alloying time. Gettering recommendations for the HEM material were used to produce the best-yet Sandia cells on this material, but correlation with the gettering experiment was not strong. Some of the discrepancy arises from necessary processing differences between the diagnostic devices and regular solar cells. This issue and other lessons learned concerning this type of experiment are discussed.

Fractional derivatives in the diffusion process in heterogeneous systems: The case of transdermal patches.

PubMed

Caputo, Michele; Cametti, Cesare

2017-09-01

In this note, we present a simple mathematical model of drug delivery through transdermal patches by introducing a memory formalism in the classical Fick diffusion equation based on the fractional derivative. This approach is developed in the case of a medicated adhesive patch placed on the skin to deliver a time released dose of medication through the skin towards the bloodstream.The main resistance to drug transport across the skin resides in the diffusion through its outermost layer (the stratum corneum). Due to the complicated architecture of this region, a model based on a constant diffusivity in a steady-state condition results in too simplistic assumptions and more refined models are required.The introduction of a memory formalism in the diffusion process, where diffusion parameters depend at a certain time or position on what happens at preceeding times, meets this requirement and allows a significantly better description of the experimental results.The present model may be useful not only for analyzing the rate of skin permeation but also for predicting the drug concentration after transdermal drug delivery depending on the diffusion characteristics of the patch (its thickness and pseudo-diffusion coefficient). Copyright © 2017 Elsevier Inc. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2012-10-01

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

Selective emitter solar cell formation by NH3 plasma nitridation and single diffusion

NASA Astrophysics Data System (ADS)

Wu, Yung-Hsien; Chen, Lun-Lun; Wu, Jia-Rong; Wu, Min-Lin

2010-01-01

A new and simple process for fabricating a selective emitter solar cell has been proposed. Lightly and heavily doped emitters could be concurrently formed after a single POCl3 diffusion step through the selective formation of SiNx, which serves as the diffusion barrier and can be grown by NH3 plasma nitridation of the Si surface. The desired phosphorus depth profile for the lightly and heavily doped region verifies the eligibility of this process. From the electrical characterization, the selective emitter solar cell fabricated by this process manifests a higher absolute conversion efficiency than a conventional one by 0.5%. It is the enhanced response to the short wavelength light and the reduced surface recombination that causes the considerable improvement in conversion efficiency which is beneficial to further hold the competitive advantage for solar cell manufacturers. Most importantly, the proposed process can be fully integrated into the conventional solar cell process in a mass-production laboratory.

Restoration of rhythmicity in diffusively coupled dynamical networks.

PubMed

Zou, Wei; Senthilkumar, D V; Nagao, Raphael; Kiss, István Z; Tang, Yang; Koseska, Aneta; Duan, Jinqiao; Kurths, Jürgen

2015-07-15

Oscillatory behaviour is essential for proper functioning of various physical and biological processes. However, diffusive coupling is capable of suppressing intrinsic oscillations due to the manifestation of the phenomena of amplitude and oscillation deaths. Here we present a scheme to revoke these quenching states in diffusively coupled dynamical networks, and demonstrate the approach in experiments with an oscillatory chemical reaction. By introducing a simple feedback factor in the diffusive coupling, we show that the stable (in)homogeneous steady states can be effectively destabilized to restore dynamic behaviours of coupled systems. Even a feeble deviation from the normal diffusive coupling drastically shrinks the death regions in the parameter space. The generality of our method is corroborated in diverse non-linear systems of diffusively coupled paradigmatic models with various death scenarios. Our study provides a general framework to strengthen the robustness of dynamic activity in diffusively coupled dynamical networks.

Absorption Kinetics of Phage Lambda on Its Host Under Shear Flow

NASA Astrophysics Data System (ADS)

Yip, C. W.; Wu, X. L.

2000-03-01

Classical blender experiment by Hershey and Chase played a seminal role in illustrating the infectious process of bacteriophage to its host, and showed unequivocally that DNA is responsible for the transmission of heredity. Subsequent works by others have established that interaction between phage particles and bacterial cells is a diffusion-limited process in that, statistically speaking, each collision results in an irreversible infection. However, such a result is hard to reconcile with the fact that the infection appears to be independent of the density of phage receptors on the bacterial cell membrane. Thus, quantitative experiments showing how a phage finds its receptor and how long does it take would be valuable to this paradoxical view. Simple calculations based on Brownian motion of the phage particles show that the interaction time between the receptor and the phage is given by tau=b^2/(5D), where b is the length of the phage and D is its diffusion coefficient. Using a shear flow apparatus we study absorption kinetics of lambda phage on E. Coli (strain YMEL) under different flow conditions, and the results are compared with a simple diffusion model taking into account the hydrodynamic convection and the interaction time tau.

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

NASA Technical Reports Server (NTRS)

Daw, Murray S.; Mills, Michael J.

2003-01-01

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

The Role of Diffusion-Weighted Magnetic Resonance Imaging in the Differential Diagnosis of Simple and Hydatid Cysts of the Liver.

PubMed

Aksoy, S; Erdil, I; Hocaoglu, E; Inci, E; Adas, G T; Kemik, O; Turkay, R

2018-02-01

The present study indicates that simple and hydatid cysts in liver are a common health problem in Turkey. The aim of the study is to differentiate different types of hydatid cysts from simple cysts by using diffusion-weighted images. In total, 37 hydatid cysts and 36 simple cysts in the liver were diagnosed. We retrospectively reviewed the medical records of the patients who had both ultrasonography and magnetic resonance imaging. We measured apparent diffusion coefficient (ADC) values of all the cysts and then compared the findings. There was no statistically meaningful difference between the ADC values of simple cysts and type 1 hydatid cysts. However, for the other types of hydatid cysts, it is possible to differentiate hydatid cysts from simple cysts using the ADC values. Although in our study we cannot differentiate between type I hydatid cysts and simple cysts in the liver, diffusion-weighted images are very useful to differentiate different types of hydatid cysts from simple cysts using the ADC values.

Multiple Scattering in Random Mechanical Systems and Diffusion Approximation

NASA Astrophysics Data System (ADS)

Feres, Renato; Ng, Jasmine; Zhang, Hong-Kun

2013-10-01

This paper is concerned with stochastic processes that model multiple (or iterated) scattering in classical mechanical systems of billiard type, defined below. From a given (deterministic) system of billiard type, a random process with transition probabilities operator P is introduced by assuming that some of the dynamical variables are random with prescribed probability distributions. Of particular interest are systems with weak scattering, which are associated to parametric families of operators P h , depending on a geometric or mechanical parameter h, that approaches the identity as h goes to 0. It is shown that ( P h - I)/ h converges for small h to a second order elliptic differential operator on compactly supported functions and that the Markov chain process associated to P h converges to a diffusion with infinitesimal generator . Both P h and are self-adjoint (densely) defined on the space of square-integrable functions over the (lower) half-space in , where η is a stationary measure. This measure's density is either (post-collision) Maxwell-Boltzmann distribution or Knudsen cosine law, and the random processes with infinitesimal generator respectively correspond to what we call MB diffusion and (generalized) Legendre diffusion. Concrete examples of simple mechanical systems are given and illustrated by numerically simulating the random processes.

Feynman-Kac equation for anomalous processes with space- and time-dependent forces

NASA Astrophysics Data System (ADS)

Cairoli, Andrea; Baule, Adrian

2017-04-01

Functionals of a stochastic process Y(t) model many physical time-extensive observables, for instance particle positions, local and occupation times or accumulated mechanical work. When Y(t) is a normal diffusive process, their statistics are obtained as the solution of the celebrated Feynman-Kac equation. This equation provides the crucial link between the expected values of diffusion processes and the solutions of deterministic second-order partial differential equations. When Y(t) is non-Brownian, e.g. an anomalous diffusive process, generalizations of the Feynman-Kac equation that incorporate power-law or more general waiting time distributions of the underlying random walk have recently been derived. A general representation of such waiting times is provided in terms of a Lévy process whose Laplace exponent is directly related to the memory kernel appearing in the generalized Feynman-Kac equation. The corresponding anomalous processes have been shown to capture nonlinear mean square displacements exhibiting crossovers between different scaling regimes, which have been observed in numerous experiments on biological systems like migrating cells or diffusing macromolecules in intracellular environments. However, the case where both space- and time-dependent forces drive the dynamics of the generalized anomalous process has not been solved yet. Here, we present the missing derivation of the Feynman-Kac equation in such general case by using the subordination technique. Furthermore, we discuss its extension to functionals explicitly depending on time, which are of particular relevance for the stochastic thermodynamics of anomalous diffusive systems. Exact results on the work fluctuations of a simple non-equilibrium model are obtained. An additional aim of this paper is to provide a pedagogical introduction to Lévy processes, semimartingales and their associated stochastic calculus, which underlie the mathematical formulation of anomalous diffusion as a subordinated process.

EIT Noise Resonance Power Broadening: a probe for coherence dynamics

NASA Astrophysics Data System (ADS)

Crescimanno, Michael; O'Leary, Shannon; Snider, Charles

2012-06-01

EIT noise correlation spectroscopy holds promise as a simple, robust method for performing high resolution spectroscopy used in devices as diverse as magnetometers and clocks. One useful feature of these noise correlation resonances is that they do not power broaden with the EIT window. We report on measurements of the eventual power broadening (at higher optical powers) of these resonances and a simple, quantitative theoretical model that relates the observed power broadening slope with processes such as two-photon detuning gradients and coherence diffusion. These processes reduce the ground state coherence relative to that of a homogeneous system, and thus the power broadening slope of the EIT noise correlation resonance may be a simple, useful probe for coherence dynamics.

Time-based understanding of DLCO and DLNO.

PubMed

Kang, Min-Yeong; Sapoval, Bernard

2016-05-01

Capture of CO and NO by blood requires molecules to travel by diffusion from alveolar gas to haemoglobin molecules inside RBCs and then to react. One can attach to these processes two times, a time for diffusion and a time for reaction. This reaction time is known from chemical kinetics and, therefore, constitutes a unique physical clock. This paper presents a time-based bottom-up theory that yields a simple expression for DLCO and DLNO that produces quantitative predictions which compare successfully with experiments. Specifically, when this new approach is applied to DLCO experiments, it can be used to determine the value of the characteristic diffusion time, and the value of capillary volume (Vc). The new theory also provides a simple explanation for still unexplained correlations such as the observed proportionality between the so-called membrane conductance DM and Vc of Roughton and Forster's interpretation. This new theory indicates that DLCO should be proportional to the haematocrit as found in several experiments. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

An extended source for CN jets in Comet P/Halley

NASA Technical Reports Server (NTRS)

Klavetter, James Jay; A'Hearn, Michael F.

1994-01-01

We examined radial intensity profiles of CN jets in comparison with the diffuse, isotropic component of the CN coma of Comet P/Halley. All images were bias-subtracted, flat-fielded, and continuum-subtracted. We calculated the diffuse profiles by finding the azimuthal mean of the coma least contaminated by jets yielding profiles similar to those of vectorial and Haser models of simple photodissociation. We found the jet profiles by calculating a mean around a Gaussian-fitted center in r-theta space. There is an unmistakable difference between the profiles of the CN jets and the profiles of the diffuse CN. Spatial derivatives of these profiles, corrected for geometrical expansion, show that the diffuse component is consistent with a simple photodissociation process, but the jet component is not. The peak production of the jet profile occurs 6000 km from the nucleus at a heliocentric distance of 1.4 AU. Modeling of both components of the coma indicate results that are consistent with the diffuse CN photochemically produced, but the CN jets need an additional extended source. We found that about one-half of the CN in the coma of Comet P/Halley originated from the jets, the rest from the diffuse component. These features, along with the width of the jet being approximately constant, are consistent with a CHON grain origin for the jets.

Open quantum random walks: Bistability on pure states and ballistically induced diffusion

NASA Astrophysics Data System (ADS)

Bauer, Michel; Bernard, Denis; Tilloy, Antoine

2013-12-01

Open quantum random walks (OQRWs) deal with quantum random motions on a line for systems with internal and orbital degrees of freedom. The internal system behaves as a quantum random gyroscope coding for the direction of the orbital moves. We reveal the existence of a transition, depending on OQRW moduli, in the internal system behaviors from simple oscillations to random flips between two unstable pure states. This induces a transition in the orbital motions from the usual diffusion to ballistically induced diffusion with a large mean free path and large effective diffusion constant at large times. We also show that mixed states of the internal system are converted into random pure states during the process. We touch upon possible experimental realizations.

Prediction of the blowout of jet diffusion flames in a coflowing stream of air

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

Karbasi, M.; Wierzba, I.

1995-12-31

The blowout limits of a lifted diffusion flame in a coflowing stream of air are estimated using a simple model for extinction, for a range of fuels, jet diameters and co-flowing stream velocities. The proposed model uses a parameter which relates to the ratio of a time associated with the mixing processes in a turbulent jet to a characteristic chemical time. The Kolmogorov microscale of time is used as time scale in this model. It is shown that turbulent diffusion flames are quenched by excessive turbulence for a critical value of this parameter. The predicted blowout velocity of diffusion flamesmore » obtained using this model is in good agreement with the available experimental data.« less

Variational description of the positive column with two-stem ionization

NASA Technical Reports Server (NTRS)

Crawford, F. W.

1979-01-01

The ionization balance in diffusion dominated discharges which depends on both one and two step ionization processes is considered. The Spenke diffusion equation (D sq delta n + neutrino n + sq kn =0) describing such conditions is solved by the Rayleigh-Ritz variational method. Simple analytic approximations to the density profile, and the similarity relation between neutrino,k,D and the discharge dimensions, are derived for planar and cylindrical geometry, and compared with exact computations for certain limiting cases.

The number statistics and optimal history of non-equilibrium steady states of mortal diffusing particles

NASA Astrophysics Data System (ADS)

Meerson, Baruch

2015-05-01

Suppose that a point-like steady source at x = 0 injects particles into a half-infinite line. The particles diffuse and die. At long times a non-equilibrium steady state sets in, and we assume that it involves many particles. If the particles are non-interacting, their total number N in the steady state is Poisson-distributed with mean \\bar{N} predicted from a deterministic reaction-diffusion equation. Here we determine the most likely density history of this driven system conditional on observing a given N. We also consider two prototypical examples of interacting diffusing particles: (i) a family of mortal diffusive lattice gases with constant diffusivity (as illustrated by the simple symmetric exclusion process with mortal particles), and (ii) random walkers that can annihilate in pairs. In both examples we calculate the variances of the (non-Poissonian) stationary distributions of N.

Fission Chain Restart Theory

DOE PAGES

Kim, K. S.; Nakae, L. F.; Prasad, M. K.; ...

2017-07-31

We present that fast nanosecond timescale neutron and gamma-ray counting can be performed with a (liquid) scintillator array. Fission chains in metal evolve over a timescale of tens of nanoseconds. If the metal is surrounded by moderator, neutrons leaking from the metal can thermalize and diffuse in the moderator. With finite probability, the diffusing neutrons can return to the metal and restart the fast fission chain. The timescale for this restart process is microseconds. A theory describing time evolving fission chains for metal surrounded by moderator, including this restart process, is presented. Finally, this theory is sufficiently simple for itmore » to be implemented for real-time analysis.« less

Action video games do not improve the speed of information processing in simple perceptual tasks.

PubMed

van Ravenzwaaij, Don; Boekel, Wouter; Forstmann, Birte U; Ratcliff, Roger; Wagenmakers, Eric-Jan

2014-10-01

Previous research suggests that playing action video games improves performance on sensory, perceptual, and attentional tasks. For instance, Green, Pouget, and Bavelier (2010) used the diffusion model to decompose data from a motion detection task and estimate the contribution of several underlying psychological processes. Their analysis indicated that playing action video games leads to faster information processing, reduced response caution, and no difference in motor responding. Because perceptual learning is generally thought to be highly context-specific, this transfer from gaming is surprising and warrants corroborative evidence from a large-scale training study. We conducted 2 experiments in which participants practiced either an action video game or a cognitive game in 5 separate, supervised sessions. Prior to each session and following the last session, participants performed a perceptual discrimination task. In the second experiment, we included a third condition in which no video games were played at all. Behavioral data and diffusion model parameters showed similar practice effects for the action gamers, the cognitive gamers, and the nongamers and suggest that, in contrast to earlier reports, playing action video games does not improve the speed of information processing in simple perceptual tasks.

Action Video Games Do Not Improve the Speed of Information Processing in Simple Perceptual Tasks

PubMed Central

van Ravenzwaaij, Don; Boekel, Wouter; Forstmann, Birte U.; Ratcliff, Roger; Wagenmakers, Eric-Jan

2015-01-01

Previous research suggests that playing action video games improves performance on sensory, perceptual, and attentional tasks. For instance, Green, Pouget, and Bavelier (2010) used the diffusion model to decompose data from a motion detection task and estimate the contribution of several underlying psychological processes. Their analysis indicated that playing action video games leads to faster information processing, reduced response caution, and no difference in motor responding. Because perceptual learning is generally thought to be highly context-specific, this transfer from gaming is surprising and warrants corroborative evidence from a large-scale training study. We conducted 2 experiments in which participants practiced either an action video game or a cognitive game in 5 separate, supervised sessions. Prior to each session and following the last session, participants performed a perceptual discrimination task. In the second experiment, we included a third condition in which no video games were played at all. Behavioral data and diffusion model parameters showed similar practice effects for the action gamers, the cognitive gamers, and the nongamers and suggest that, in contrast to earlier reports, playing action video games does not improve the speed of information processing in simple perceptual tasks. PMID:24933517

Fluctuations in diffusion processes in microgravity.

PubMed

Mazzoni, Stefano; Cerbino, Roberto; Vailati, Alberto; Giglio, Marzio

2006-09-01

It has been shown recently that diffusion processes exhibit giant nonequilibrium fluctuations (NEFs). That is, the diffusing fronts display corrugations whose length scale ranges from the molecular to the macroscopic one. The amplitude of the NEF diverges following a power law behavior proportional to q(-4) (where q is the wave vector). However, fluctuations of wave number smaller than a critical "rolloff" wave vector are quenched by the presence of gravity. It is therefore expected that in microgravity conditions, the amplitude of the NEF should be boosted by the absence of the buoyancy-driven restoring force. This may affect any diffusion process performed in microgravity, such as the crystallization of a protein solution induced by the diffusion of a salt buffer. The aim of GRADFLEX (GRAdient-Driven FLuctuation EXperiment), a joint project of ESA and NASA, is to investigate the presence of NEFs arising in a diffusion process under microgravity conditions. The project consists of two experiments. One is carried out by UNIMI (University of Milan) and INFM (Istituto Nazionale per la Fisica della Materia) and is focused on NEF in a concentration diffusion process. The other experiment is performed by UCSB (University of California at Santa Barbara) concerning temperature NEF in a simple fluid. In the UNIMI part of the GRADFLEX experimental setup, NEFs are induced in a binary mixture by means of the Soret effect. The diagnostic method is an all-optical quantitative shadowgraph technique. The power spectrum of the induced NEFs is obtained by the processing of the shadowgraph images. A detailed description of the experimental apparatus as well as the ground-based experimental results is presented here for the UNIMI-INFM experiment. The GRADFLEX payload is scheduled to fly on the FOTON M3 capsule in April 2007.

CCR scientists tease out mechanisms of immune cell communication | Center for Cancer Research

Cancer.gov

Researchers from the Cancer and Inflammation Program at the Center for Cancer Research and the Ben-Gurion University of the Negev in Israel have discovered that the simple processes of molecular diffusion and absorption control the spread of cytokines through dense body tissues. The simple control mechanisms enable the immune response to tailor itself to the nature and severity of a pathogenic attack and to prevent dangerous autoimmune reactions.  Read more...

Enhancement of Fe diffusion in ZnSe/S laser crystals under hot isostatic pressing

NASA Astrophysics Data System (ADS)

Gafarov, Ozarfar; Martinez, Alan; Fedorov, Vladimir; Mirov, Sergey

2017-02-01

Many organic molecules have strong and narrow absorption features in the middle Infrared (mid-IR) spectral range. The ability to directly probe absorption features of molecules enables numerous mid-IR applications in non-invasive medical diagnosis, industrial processing and process control, environmental monitoring, etc. Thus, there is a strong demand for lasers operating in mid-IR spectral range. Transition metal (TM) doped II-VI semiconductors such as Fe/Cr:ZnSe/S are the material of choice for fabrication of mid-IR gain media due to favorable combination of properties: a four level energy structure, absence of excited state absorption , broad mid-IR vibronic absorption and emission bands. Despite the significant progress in post-growth thermal diffusion technology of TM:II-VI fabrication there are still some difficulties associated with diffusion of certain TM's in these materials. In this work we address the issue of poor diffusion of Fe in ZnSe/S polycrystals. It is well known that with the temperature increase the diffusion rate of impurity also increases. However, simple application of high temperatures during the diffusion process is problematic for ZnSe/S crystals due to their strong sublimation. The sublimation processes can be suppressed by application of high pressures. Hot isostatic pressing was utilized as the means for simultaneous application of high temperatures (1300°C) and high pressures (1000atm, 3000atm). It was determined that diffusion coefficient of Fe was improved 13 and 14 fold in ZnSe and ZnS, respectively, as compared to the standard diffusion at 950°C. The difference in diffusion coefficients can be due to strong increase in the grain size of polycrystals.

Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes.

PubMed

Chatterjee, Abhijit; Vlachos, Dionisios G

2007-07-21

While recently derived continuum mesoscopic equations successfully bridge the gap between microscopic and macroscopic physics, so far they have been derived only for simple lattice models. In this paper, general deterministic continuum mesoscopic equations are derived rigorously via nonequilibrium statistical mechanics to account for multiple interacting surface species and multiple processes on multiple site types and/or different crystallographic planes. Adsorption, desorption, reaction, and surface diffusion are modeled. It is demonstrated that contrary to conventional phenomenological continuum models, microscopic physics, such as the interaction potential, determines the final form of the mesoscopic equation. Models of single component diffusion and binary diffusion of interacting particles on single-type site lattice and of single component diffusion on complex microporous materials' lattices consisting of two types of sites are derived, as illustrations of the mesoscopic framework. Simplification of the diffusion mesoscopic model illustrates the relation to phenomenological models, such as the Fickian and Maxwell-Stefan transport models. It is demonstrated that the mesoscopic equations are in good agreement with lattice kinetic Monte Carlo simulations for several prototype examples studied.

A simple method for finding explicit analytic transition densities of diffusion processes with general diploid selection.

PubMed

Song, Yun S; Steinrücken, Matthias

2012-03-01

The transition density function of the Wright-Fisher diffusion describes the evolution of population-wide allele frequencies over time. This function has important practical applications in population genetics, but finding an explicit formula under a general diploid selection model has remained a difficult open problem. In this article, we develop a new computational method to tackle this classic problem. Specifically, our method explicitly finds the eigenvalues and eigenfunctions of the diffusion generator associated with the Wright-Fisher diffusion with recurrent mutation and arbitrary diploid selection, thus allowing one to obtain an accurate spectral representation of the transition density function. Simplicity is one of the appealing features of our approach. Although our derivation involves somewhat advanced mathematical concepts, the resulting algorithm is quite simple and efficient, only involving standard linear algebra. Furthermore, unlike previous approaches based on perturbation, which is applicable only when the population-scaled selection coefficient is small, our method is nonperturbative and is valid for a broad range of parameter values. As a by-product of our work, we obtain the rate of convergence to the stationary distribution under mutation-selection balance.

A Simple Method for Finding Explicit Analytic Transition Densities of Diffusion Processes with General Diploid Selection

PubMed Central

Song, Yun S.; Steinrücken, Matthias

2012-01-01

The transition density function of the Wright–Fisher diffusion describes the evolution of population-wide allele frequencies over time. This function has important practical applications in population genetics, but finding an explicit formula under a general diploid selection model has remained a difficult open problem. In this article, we develop a new computational method to tackle this classic problem. Specifically, our method explicitly finds the eigenvalues and eigenfunctions of the diffusion generator associated with the Wright–Fisher diffusion with recurrent mutation and arbitrary diploid selection, thus allowing one to obtain an accurate spectral representation of the transition density function. Simplicity is one of the appealing features of our approach. Although our derivation involves somewhat advanced mathematical concepts, the resulting algorithm is quite simple and efficient, only involving standard linear algebra. Furthermore, unlike previous approaches based on perturbation, which is applicable only when the population-scaled selection coefficient is small, our method is nonperturbative and is valid for a broad range of parameter values. As a by-product of our work, we obtain the rate of convergence to the stationary distribution under mutation–selection balance. PMID:22209899

Effects of 3 dimensional crystal geometry and orientation on 1D and 2D time-scale determinations of magmatic processes using olivine and orthopyroxene

NASA Astrophysics Data System (ADS)

Shea, Thomas; Krimer, Daniel; Costa, Fidel; Hammer, Julia

2014-05-01

One of the achievements in recent years in volcanology is the determination of time-scales of magmatic processes via diffusion in minerals and its addition to the petrologists' and volcanologists' toolbox. The method typically requires one-dimensional modeling of randomly cut crystals from two-dimensional thin sections. Here we address the question whether using 1D (traverse) or 2D (surface) datasets exploited from randomly cut 3D crystals introduces a bias or dispersion in the time-scales estimated, and how this error can be improved or eliminated. Computational simulations were performed using a concentration-dependent, finite-difference solution to the diffusion equation in 3D. The starting numerical models involved simple geometries (spheres, parallelepipeds), Mg/Fe zoning patterns (either normal or reverse), and isotropic diffusion coefficients. Subsequent models progressively incorporated more complexity, 3D olivines possessing representative polyhedral morphologies, diffusion anisotropy along the different crystallographic axes, and more intricate core-rim zoning patterns. Sections and profiles used to compare 1, 2 and 3D diffusion models were selected to be (1) parallel to the crystal axes, (2) randomly oriented but passing through the olivine center, or (3) randomly oriented and sectioned. Results show that time-scales estimated on randomly cut traverses (1D) or surfaces (2D) can be widely distributed around the actual durations of 3D diffusion (~0.2 to 10 times the true diffusion time). The magnitude over- or underestimations of duration are a complex combination of the geometry of the crystal, the zoning pattern, the orientation of the cuts with respect to the crystallographic axes, and the degree of diffusion anisotropy. Errors on estimated time-scales retrieved from such models may thus be significant. Drastic reductions in the uncertainty of calculated diffusion times can be obtained by following some simple guidelines during the course of data collection (i.e. selection of crystals and concentration profiles, acquisition of crystallographic orientation data), thus allowing derivation of robust time-scales.

A Simple Educational Method for the Measurement of Liquid Binary Diffusivities

ERIC Educational Resources Information Center

Rice, Nicholas P.; de Beer, Martin P.; Williamson, Mark E.

2014-01-01

A simple low-cost experiment has been developed for the measurement of the binary diffusion coefficients of liquid substances. The experiment is suitable for demonstrating molecular diffusion to small or large undergraduate classes in chemistry or chemical engineering. Students use a cell phone camera in conjunction with open-source image…

Formation of protocell-like vesicles in a thermal diffusion column.

PubMed

Budin, Itay; Bruckner, Raphael J; Szostak, Jack W

2009-07-22

Many of the properties of bilayer membranes composed of simple single-chain amphiphiles seem to be well-suited for a potential role as primitive cell membranes. However, the spontaneous formation of membranes from such amphiphiles is a concentration-dependent process in which a significant critical aggregate concentration (cac) must be reached. Since most scenarios for the prebiotic synthesis of fatty acids and related amphiphiles would result in dilute solutions well below the cac, the identification of mechanisms that would lead to increased local amphiphile concentrations is an important aspect of defining reasonable conditions for the origin of cellular life. Narrow, vertically oriented channels within the mineral precipitates of hydrothermal vent towers have previously been proposed to act as natural Clusius-Dickel thermal diffusion columns, in which a strong transverse thermal gradient concentrates dilute molecules through the coupling of thermophoresis and convection. Here we experimentally demonstrate that a microcapillary acting as a thermal diffusion column can concentrate a solution of oleic acid. Upon concentration, self-assembly of large vesicles occurs in regions where the cac is exceeded. We detected vesicle formation by fluorescence microscopy of encapsulated dye cargoes, which simultaneously concentrated in our channels. Our findings suggest a novel means by which simple physical processes could have led to the spontaneous formation of cell-like structures from a dilute prebiotic reservoir.

Rad4 recognition-at-a-distance: Physical basis of conformation-specific anomalous diffusion of DNA repair proteins.

PubMed

Kong, Muwen; Van Houten, Bennett

2017-08-01

Since Robert Brown's first observations of random walks by pollen particles suspended in solution, the concept of diffusion has been subject to countless theoretical and experimental studies in diverse fields from finance and social sciences, to physics and biology. Diffusive transport of macromolecules in cells is intimately linked to essential cellular functions including nutrient uptake, signal transduction, gene expression, as well as DNA replication and repair. Advancement in experimental techniques has allowed precise measurements of these diffusion processes. Mathematical and physical descriptions and computer simulations have been applied to model complicated biological systems in which anomalous diffusion, in addition to simple Brownian motion, was observed. The purpose of this review is to provide an overview of the major physical models of anomalous diffusion and corresponding experimental evidence on the target search problem faced by DNA-binding proteins, with an emphasis on DNA repair proteins and the role of anomalous diffusion in DNA target recognition. Copyright © 2016 Elsevier Ltd. All rights reserved.

When push comes to shove: Exclusion processes with nonlocal consequences

NASA Astrophysics Data System (ADS)

Almet, Axel A.; Pan, Michael; Hughes, Barry D.; Landman, Kerry A.

2015-11-01

Stochastic agent-based models are useful for modelling collective movement of biological cells. Lattice-based random walk models of interacting agents where each site can be occupied by at most one agent are called simple exclusion processes. An alternative motility mechanism to simple exclusion is formulated, in which agents are granted more freedom to move under the compromise that interactions are no longer necessarily local. This mechanism is termed shoving. A nonlinear diffusion equation is derived for a single population of shoving agents using mean-field continuum approximations. A continuum model is also derived for a multispecies problem with interacting subpopulations, which either obey the shoving rules or the simple exclusion rules. Numerical solutions of the derived partial differential equations compare well with averaged simulation results for both the single species and multispecies processes in two dimensions, while some issues arise in one dimension for the multispecies case.

Real-time fluorescence quenching-based detection of nitro-containing explosive vapours: what are the key processes?

PubMed

Shaw, P E; Burn, P L

2017-11-15

The detection of explosives continues to be a pressing global challenge with many potential technologies being pursued by the scientific research community. Luminescence-based detection of explosive vapours with an organic semiconductor has attracted much interest because of its potential for detectors that have high sensitivity, compact form factor, simple operation and low-cost. Despite the abundance of literature on novel sensor materials systems there are relatively few mechanistic studies targeted towards vapour-based sensing. In this Perspective, we will review the progress that has been made in understanding the processes that control the real-time luminescence quenching of thin films by analyte vapours. These are the non-radiative quenching process by which the sensor exciton decays, the analyte-sensor intermolecular binding interaction, and the diffusion process for the analyte vapours in the film. We comment on the contributions of each of these processes towards the sensing response and, in particular, the relative roles of analyte diffusion and exciton diffusion. While the latter has been historically judged to be one of, if not the primary, causes for the high sensitivity of many conjugated polymers to nitrated vapours, recent evidence suggests that long exciton diffusion lengths are unnecessary. The implications of these results on the development of sensor materials for real-time detection are discussed.

Mechanism of sodium and chloride transport in the thin ascending limb of Henle.

PubMed Central

Imai, M; Kokko, J P

1976-01-01

Our previous in vitro studies have disclosed that the thin ascending limb of Henle (tALH) possesses some unique membrane characteristics. In those studies we failed to demonstrated active transport of sodium chloride by the tALH, although it was shown that the isotopic permeability to sodium and chloride was unusually high. However, we did not examine the mechanisms by which the apparent high permeation of sodium chloride occurs. Thus the purpose of the present studies was to elucidate the mechanism of sodium chloride transport across the isolated tALH of the rabbit by conducting four different types of studies: (1) comparison of the observed chloride and sodium flux ratios to those predicted by Ussing's equation under imposed salt concentration gradients; (2) kinetic evaluation of chloride and sodium fluxes; (3) examination of the effect of bromide on the kinetics of chloride transport; and (4) experiments to test for the existence of exchange diffusion of chloride. In the first set of studies the predicted and the theoretical flux ratios of sodium were identical in those experiments in which sodium chloride was added either to the perfusate or to the bath. However, the observed chloride flux ratio, lumen-to-bath/bath-to-lumen, was significantly lower than that predicted from Ussing's equation when 100 mM sodium chloride was added to the bath. In the second set of experiments the apparent isotopic permeability for sodium and for chloride was measured under varying perfusate and bath NaCl concentrations. There was no statistical change in the apparent sodium permeability coefficient when the NaCl concentration was raised by varying increments from 85.5 to 309.5 mM. However, permeation of 36Cl decrease significantly with an increase in Cl from 73.6 to 598.6 mM. These events could be explained by a two component chloride transport process consisting of simple diffusion and a saturable facilitated diffusion process with a Vmax = 3.71 neq mm-1 min-1. In the third set of studies it was shown that bromide inhibits transport of chloride and that the magnitude of inhibition is dependent on chloride concentrations. The fourth set of studies ruled out the existence of exchange diffusion. In conclusion, these studies indicate that sodium transport across tALH is by simple passive diffusion, while chloride transport across tALH involves at least two mechanisms: (1) simple passive diffusion; and (2) a specific membrane interaction process (carrier-mediated) which is competitively inhibited by bromide. PMID:993330

Introducing the Action Potential to Psychology Students

ERIC Educational Resources Information Center

Simon-Dack, Stephanie L.

2014-01-01

For this simple active learning technique for teaching, students are assigned "roles" and act out the process of the action potential (AP), including the firing threshold, ion-specific channels for ions to enter and leave the cell, diffusion, and the refractory period. Pre-post test results indicated that students demonstrated increased…

Drift diffusion model of reward and punishment learning in schizophrenia: Modeling and experimental data.

PubMed

Moustafa, Ahmed A; Kéri, Szabolcs; Somlai, Zsuzsanna; Balsdon, Tarryn; Frydecka, Dorota; Misiak, Blazej; White, Corey

2015-09-15

In this study, we tested reward- and punishment learning performance using a probabilistic classification learning task in patients with schizophrenia (n=37) and healthy controls (n=48). We also fit subjects' data using a Drift Diffusion Model (DDM) of simple decisions to investigate which components of the decision process differ between patients and controls. Modeling results show between-group differences in multiple components of the decision process. Specifically, patients had slower motor/encoding time, higher response caution (favoring accuracy over speed), and a deficit in classification learning for punishment, but not reward, trials. The results suggest that patients with schizophrenia adopt a compensatory strategy of favoring accuracy over speed to improve performance, yet still show signs of a deficit in learning based on negative feedback. Our data highlights the importance of applying fitting models (particularly drift diffusion models) to behavioral data. The implications of these findings are discussed relative to theories of schizophrenia and cognitive processing. Copyright © 2015 Elsevier B.V. All rights reserved.

Electric-field noise from carbon-adatom diffusion on a Au(110) surface: First-principles calculations and experiments

DOE PAGES

Kim, E.; Safavi-Naini, A.; Hite, D. A.; ...

2017-03-01

The decoherence of trapped-ion quantum bits due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from processes on the trap-electrode surfaces. In this work, we address the source of this noise by focusing on the diffusion of carbon-containing adsorbates on the surface of Au(110). We show by detailed scanned probe microscopy and density functional theory how the carbon adatom diffusion on the gold surface changes the energy landscape, and how the adatom dipole moment varies with the diffusive motion. Lastly, a simple model for the diffusion noise,more » which varies quadratically with the variation of the dipole moment, qualitatively reproduces the measured noise spectrum, and the estimate of the noise spectral density is in accord with measured values.« less

Low temperature Zn diffusion for GaSb solar cell structures fabrication

NASA Technical Reports Server (NTRS)

Sulima, Oleg V.; Faleev, Nikolai N.; Kazantsev, Andrej B.; Mintairov, Alexander M.; Namazov, Ali

1995-01-01

Low temperature Zn diffusion in GaSb, where the minimum temperature was 450 C, was studied. The pseudo-closed box (PCB) method was used for Zn diffusion into GaAs, AlGaAs, InP, InGaAs and InGaAsP. The PCB method avoids the inconvenience of sealed ampoules and proved to be simple and reproducible. The special design of the boat for Zn diffusion ensured the uniformality of Zn vapor pressure across the wafer surface, and thus the uniformity of the p-GaSb layer depth. The p-GaSb layers were studied using Raman scattering spectroscopy and the x-ray rocking curve method. As for the postdiffusion processing, an anodic oxidation was used for a precise thinning of the diffused GaSb layers. The results show the applicability of the PCB method for the large-scale production of the GaSb structures for solar cells.

Electric-field noise from carbon-adatom diffusion on a Au(110) surface: First-principles calculations and experiments

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

Kim, E.; Safavi-Naini, A.; Hite, D. A.

The decoherence of trapped-ion quantum bits due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from processes on the trap-electrode surfaces. In this work, we address the source of this noise by focusing on the diffusion of carbon-containing adsorbates on the surface of Au(110). We show by detailed scanned probe microscopy and density functional theory how the carbon adatom diffusion on the gold surface changes the energy landscape, and how the adatom dipole moment varies with the diffusive motion. Lastly, a simple model for the diffusion noise,more » which varies quadratically with the variation of the dipole moment, qualitatively reproduces the measured noise spectrum, and the estimate of the noise spectral density is in accord with measured values.« less

Fragmentation, rings and coarsening: structure and transformations of nanocrystal aggregate networks on a liquid surface

NASA Astrophysics Data System (ADS)

Yang, Bo; Scheidtmann, Jens; Mayer, Joachim; Wuttig, Matthias; Michely, Thomas

2002-01-01

Deposition of Ag on a silicon oil surface leads to the formation of nm-sized Ag crystals floating on the oil surface. These nanocrystals mutually attract each other, forming strongly branched nanocrystal aggregates and continuous aggregate networks. Transformation processes of such nanocrystal aggregate networks are imaged in situ by optical microscopy. The observations are explained on the basis of a simple model involving diffusion of nanocrystals along aggregate edges and the rupture of branches resulting from branch width fluctuations due to edge diffusion.

Solute segregation kinetics and dislocation depinning in a binary alloy

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2015-06-01

Static strain aging, a phenomenon caused by diffusion of solute atoms to dislocations, is an important contributor to the strength of substitutional alloys. Accurate modeling of this complex process requires both atomic spatial resolution and diffusional time scales, which is very challenging to achieve with commonly used atomistic computational methods. In this paper, we use the recently developed "diffusive molecular dynamics" (DMD) method that is capable of describing the kinetics of the solute segregation process at the atomic level while operating on diffusive time scales in a computationally efficient way. We study static strain aging in the Al-Mg system and calculate the depinning shear stress between edge and screw dislocations and their solute atmospheres formed for various waiting times with different solute content and for a range of temperatures. A simple phenomenological model is also proposed that describes the observed behavior of the critical shear stress as a function of segregation level.

The complex fluid dynamics of simple diffusion

NASA Astrophysics Data System (ADS)

Vold, Erik

2017-11-01

Diffusion as the mass transport process responsible for mixing fluids at the atomic level is often underestimated in its complexity. An initial discontinuity between two species of different atomic masses exhibits a mass density discontinuity under isothermal pressure equilibrium implying equal species molar densities. The self-consistent kinetic transport processes across such an interface leads to a zero sum of mass flux relative to the center of mass and so diffusion alone cannot relax an initially stationary mass discontinuity nor broaden the density profile at the interface. The diffusive mixing leads to a molar imbalance which drives a center of mass velocity which moves the heavier species toward the lighter species leading to the interfacial density relaxation. Simultaneously, the species non-zero molar flux modifies the pressure profile in a transient wave and in a local perturbation. The resulting center of mass velocity has two components; one, associated with the divergence of the flow, persists in the diffusive mixing region throughout the diffusive mixing process, and two, travelling waves at the front of the pressure perturbations propagate away from the mixing region. The momentum in these waves is necessary to maintain momentum conservation in the center of mass frame. Thus, in a number of ways, the diffusive mixing provides feedback into the small scale advective motions. Numerical methods which diffuse all species assuming P-T equilibrium may not recover the subtle dynamics of mass transport at an interface. Work performed by the LANS, LLC, under USDOE Contract No. DE-AC52-06NA25396, funded by the (ASC) Program.

Optimizing diffusion in multiplexes by maximizing layer dissimilarity

NASA Astrophysics Data System (ADS)

Serrano, Alfredo B.; Gómez-Gardeñes, Jesús; Andrade, Roberto F. S.

2017-05-01

Diffusion in a multiplex depends on the specific link distribution between the nodes in each layer, but also on the set of the intralayer and interlayer diffusion coefficients. In this work we investigate, in a quantitative way, the efficiency of multiplex diffusion as a function of the topological similarity among multiplex layers. This similarity is measured by the distance between layers, taken among the pairs of layers. Results are presented for a simple two-layer multiplex, where one of the layers is held fixed, while the other one can be rewired in a controlled way in order to increase or decrease the interlayer distance. The results indicate that, for fixed values of all intra- and interlayer diffusion coefficients, a large interlayer distance generally enhances the global multiplex diffusion, providing a topological mechanism to control the global diffusive process. For some sets of networks, we develop an algorithm to identify the most sensitive nodes in the rewirable layer, so that changes in a small set of connections produce a drastic enhancement of the global diffusion of the whole multiplex system.

A solution-processed quaternary oxide system obtained at low-temperature using a vertical diffusion technique

PubMed Central

Yoon, Seokhyun; Kim, Si Joon; Tak, Young Jun; Kim, Hyun Jae

2017-01-01

We report a method for fabricating solution-processed quaternary In-Ga-Zn-O (IGZO) thin-film transistors (TFTs) at low annealing temperatures using a vertical diffusion technique (VDT). The VDT is a deposition process for spin-coating binary and ternary oxide layers consecutively and annealing at once. With the VDT, uniform and dense quaternary oxide layers were fabricated at lower temperatures (280 °C). Compared to conventional IGZO and ternary In-Zn-O (IZO) thin films, VDT IGZO thin film had higher density of the metal-oxide bonds and lower density of the oxygen vacancies. The field-effect mobility of VDT IGZO TFT increased three times with an improved stability under positive bias stress than IZO TFT due to the reduction in oxygen vacancies. Therefore, the VDT process is a simple method that reduces the processing temperature without any additional treatment for quaternary oxide semiconductors with uniform layers. PMID:28230088

A solution-processed quaternary oxide system obtained at low-temperature using a vertical diffusion technique

NASA Astrophysics Data System (ADS)

Yoon, Seokhyun; Kim, Si Joon; Tak, Young Jun; Kim, Hyun Jae

2017-02-01

We report a method for fabricating solution-processed quaternary In-Ga-Zn-O (IGZO) thin-film transistors (TFTs) at low annealing temperatures using a vertical diffusion technique (VDT). The VDT is a deposition process for spin-coating binary and ternary oxide layers consecutively and annealing at once. With the VDT, uniform and dense quaternary oxide layers were fabricated at lower temperatures (280 °C). Compared to conventional IGZO and ternary In-Zn-O (IZO) thin films, VDT IGZO thin film had higher density of the metal-oxide bonds and lower density of the oxygen vacancies. The field-effect mobility of VDT IGZO TFT increased three times with an improved stability under positive bias stress than IZO TFT due to the reduction in oxygen vacancies. Therefore, the VDT process is a simple method that reduces the processing temperature without any additional treatment for quaternary oxide semiconductors with uniform layers.

A solution-processed quaternary oxide system obtained at low-temperature using a vertical diffusion technique.

PubMed

Yoon, Seokhyun; Kim, Si Joon; Tak, Young Jun; Kim, Hyun Jae

2017-02-23

We report a method for fabricating solution-processed quaternary In-Ga-Zn-O (IGZO) thin-film transistors (TFTs) at low annealing temperatures using a vertical diffusion technique (VDT). The VDT is a deposition process for spin-coating binary and ternary oxide layers consecutively and annealing at once. With the VDT, uniform and dense quaternary oxide layers were fabricated at lower temperatures (280 °C). Compared to conventional IGZO and ternary In-Zn-O (IZO) thin films, VDT IGZO thin film had higher density of the metal-oxide bonds and lower density of the oxygen vacancies. The field-effect mobility of VDT IGZO TFT increased three times with an improved stability under positive bias stress than IZO TFT due to the reduction in oxygen vacancies. Therefore, the VDT process is a simple method that reduces the processing temperature without any additional treatment for quaternary oxide semiconductors with uniform layers.

Alpha particles diffusion due to charge changes

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

Clauser, C. F., E-mail: cesar.clauser@ib.edu.ar; Farengo, R.

2015-12-15

Alpha particles diffusion due to charge changes in a magnetized plasma is studied. Analytical calculations and numerical simulations are employed to show that this process can be very important in the pedestal-edge-SOL regions. This is the first study that presents clear evidence of the importance of atomic processes on the diffusion of alpha particles. A simple 1D model that includes inelastic collisions with plasma species, “cold” neutrals, and partially ionized species was employed. The code, which follows the exact particle orbits and includes the effect of inelastic collisions via a Monte Carlo type random process, runs on a graphic processormore » unit (GPU). The analytical and numerical results show excellent agreement when a uniform background (plasma and cold species) is assumed. The simulations also show that the gradients in the density of the plasma and cold species, which are large and opposite in the edge region, produce an inward flux of alpha particles. Calculations of the alpha particles flux reaching the walls or divertor plates should include these processes.« less

A Two-Stage Process Model of Sensory Discrimination: An Alternative to Drift-Diffusion

PubMed Central

Landy, Michael S.

2016-01-01

Discrimination of the direction of motion of a noisy stimulus is an example of sensory discrimination under uncertainty. For stimuli that are extended in time, reaction time is quicker for larger signal values (e.g., discrimination of opposite directions of motion compared with neighboring orientations) and larger signal strength (e.g., stimuli with higher contrast or motion coherence, that is, lower noise). The standard model of neural responses (e.g., in lateral intraparietal cortex) and reaction time for discrimination is drift-diffusion. This model makes two clear predictions. (1) The effects of signal strength and value on reaction time should interact multiplicatively because the diffusion process depends on the signal-to-noise ratio. (2) If the diffusion process is interrupted, as in a cued-response task, the time to decision after the cue should be independent of the strength of accumulated sensory evidence. In two experiments with human participants, we show that neither prediction holds. A simple alternative model is developed that is consistent with the results. In this estimate-then-decide model, evidence is accumulated until estimation precision reaches a threshold value. Then, a decision is made with duration that depends on the signal-to-noise ratio achieved by the first stage. SIGNIFICANCE STATEMENT Sensory decision-making under uncertainty is usually modeled as the slow accumulation of noisy sensory evidence until a threshold amount of evidence supporting one of the possible decision outcomes is reached. Furthermore, it has been suggested that this accumulation process is reflected in neural responses, e.g., in lateral intraparietal cortex. We derive two behavioral predictions of this model and show that neither prediction holds. We introduce a simple alternative model in which evidence is accumulated until a sufficiently precise estimate of the stimulus is achieved, and then that estimate is used to guide the discrimination decision. This model is consistent with the behavioral data. PMID:27807167

A Two-Stage Process Model of Sensory Discrimination: An Alternative to Drift-Diffusion.

PubMed

Sun, Peng; Landy, Michael S

2016-11-02

Discrimination of the direction of motion of a noisy stimulus is an example of sensory discrimination under uncertainty. For stimuli that are extended in time, reaction time is quicker for larger signal values (e.g., discrimination of opposite directions of motion compared with neighboring orientations) and larger signal strength (e.g., stimuli with higher contrast or motion coherence, that is, lower noise). The standard model of neural responses (e.g., in lateral intraparietal cortex) and reaction time for discrimination is drift-diffusion. This model makes two clear predictions. (1) The effects of signal strength and value on reaction time should interact multiplicatively because the diffusion process depends on the signal-to-noise ratio. (2) If the diffusion process is interrupted, as in a cued-response task, the time to decision after the cue should be independent of the strength of accumulated sensory evidence. In two experiments with human participants, we show that neither prediction holds. A simple alternative model is developed that is consistent with the results. In this estimate-then-decide model, evidence is accumulated until estimation precision reaches a threshold value. Then, a decision is made with duration that depends on the signal-to-noise ratio achieved by the first stage. Sensory decision-making under uncertainty is usually modeled as the slow accumulation of noisy sensory evidence until a threshold amount of evidence supporting one of the possible decision outcomes is reached. Furthermore, it has been suggested that this accumulation process is reflected in neural responses, e.g., in lateral intraparietal cortex. We derive two behavioral predictions of this model and show that neither prediction holds. We introduce a simple alternative model in which evidence is accumulated until a sufficiently precise estimate of the stimulus is achieved, and then that estimate is used to guide the discrimination decision. This model is consistent with the behavioral data. Copyright © 2016 the authors 0270-6474/16/3611259-16$15.00/0.

Diffusion mechanism of non-interacting Brownian particles through a deformed substrate

NASA Astrophysics Data System (ADS)

Arfa, Lahcen; Ouahmane, Mehdi; El Arroum, Lahcen

2018-02-01

We study the diffusion mechanism of non-interacting Brownian particles through a deformed substrate. The study is done at low temperature for different values of the friction. The deformed substrate is represented by a periodic Remoissenet-Peyrard potential with deformability parameter s. In this potential, the particles (impurity, adatoms…) can diffuse. We ignore the interactions between these mobile particles consider them merely as non-interacting Brownian particles and this system is described by a Fokker-Planck equation. We solve this equation numerically using the matrix continued fraction method to calculate the dynamic structure factor S(q , ω) . From S(q , ω) some relevant correlation functions are also calculated. In particular, we determine the half-width line λ(q) of the peak of the quasi-elastic dynamic structure factor S(q , ω) and the diffusion coefficient D. Our numerical results show that the diffusion mechanism is described, depending on the structure of the potential, either by a simple jump diffusion process with jump length close to the lattice constant a or by a combination of a jump diffusion model with jump length close to lattice constant a and a liquid-like motion inside the unit cell. It shows also that, for different friction regimes and various potential shapes, the friction attenuates the diffusion mechanism. It is found that, in the high friction regime, the diffusion process is more important through a deformed substrate than through a non-deformed one.

Immobilization of phenylalanine-dehydrogenase on nano-sized polytaurine: a new platform for application of nano-polymeric materials on enzymatic biosensing technology.

PubMed

Omidinia, Eskandar; Shadjou, Nasrin; Hasanzadeh, Mohammad

2014-09-01

A strategy of phenylalanine-dehydrogenase (PheDH) entrapment within the polytaurine matrix is demonstrated to probe the direct electrochemistry of phenylalanine (Pha). It was found that PheDH has been stably immobilized on glassy carbon electrode modified by polytaurine based on simple technique. Cyclic voltammetric study indicated that the oxidation process is irreversible and diffusion controlled. The number of exchanged electrons in the electro-oxidation process was obtained, and the data indicated that Pha is oxidized via one-electron steps. The results revealed that Pha promotes the rate of oxidation by increasing the peak current. The diffusion coefficient and electron-transfer coefficient of Pha were found to be 0.2×10(-6)cm(2)s(-1) and 0.467, respectively. A sensitive, simple and time-saving differential-pulse voltammetric procedure was developed for the analysis of Pha. The results show that by using the proposed method, Pha can be determined with a detection limit of 9 nM. Copyright © 2014 Elsevier B.V. All rights reserved.

Effects of Buoyancy on Laminar, Transitional, and Turbulent Gas Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

Bahadori, M. Yousef; Stocker, Dennis P.; Vaughan, David F.; Zhou, Liming; Edelman, Raymond B.

1993-01-01

Gas jet diffusion flames have been a subject of research for many years. However, a better understanding of the physical and chemical phenomena occurring in these flames is still needed, and, while the effects of gravity on the burning process have been observed, the basic mechanisms responsible for these changes have yet to be determined. The fundamental mechanisms that control the combustion process are in general coupled and quite complicated. These include mixing, radiation, kinetics, soot formation and disposition, inertia, diffusion, and viscous effects. In order to understand the mechanisms controlling a fire, laboratory-scale laminar and turbulent gas-jet diffusion flames have been extensively studied, which have provided important information in relation to the physico-chemical processes occurring in flames. However, turbulent flames are not fully understood and their understanding requires more fundamental studies of laminar diffusion flames in which the interplay of transport phenomena and chemical kinetics is more tractable. But even this basic, relatively simple flame is not completely characterized in relation to soot formation, radiation, diffusion, and kinetics. Therefore, gaining an understanding of laminar flames is essential to the understanding of turbulent flames, and particularly fires, in which the same basic phenomena occur. In order to improve and verify the theoretical models essential to the interpretation of data, the complexity and degree of coupling of the controlling mechanisms must be reduced. If gravity is isolated, the complication of buoyancy-induced convection would be removed from the problem. In addition, buoyant convection in normal gravity masks the effects of other controlling parameters on the flame. Therefore, the combination of normal-gravity and microgravity data would provide the information, both theoretical and experimental, to improve our understanding of diffusion flames in general, and the effects of gravity on the burning process in particular.

How long does it take to boil an egg? A simple approach to the energy transfer equation

NASA Astrophysics Data System (ADS)

Roura, P.; Fort, J.; Saurina, J.

2000-01-01

The heating of simple geometric objects immersed in an isothermal bath is analysed qualitatively through Fourier's law. The approximate temperature evolution is compared with the exact solution obtained by solving the transport differential equation, the discrepancies being smaller than 20%. Our method succeeds in giving the solution as a function of the Fourier modulus so that the scale laws hold. It is shown that the time needed to homogenize temperature variations that extend over mean distances xm is approximately xm2/icons/Journals/Common/alpha" ALT="alpha" ALIGN="MIDDLE"/>, where icons/Journals/Common/alpha" ALT="alpha" ALIGN="MIDDLE"/> is the thermal diffusivity. This general relationship also applies to atomic diffusion. Within the approach presented there is no need to write down any differential equation. As an example, the analysis is applied to the process of boiling an egg.

Strange kinetics of bulk-mediated diffusion on lipid bilayers

PubMed Central

Campagnola, Grace; Nepal, Kanti; Peersen, Olve B.

2016-01-01

Diffusion at solid-liquid interfaces is crucial in many technological and biophysical processes. Although its behavior seems deceivingly simple, recent studies showing passive superdiffusive transport suggest diffusion on surfaces may hide rich complexities. In particular, bulk-mediated diffusion occurs when molecules are transiently released from the surface to perform three-dimensional excursions into the liquid bulk. This phenomenon bears the dichotomy where a molecule always return to the surface but the mean jump length is infinite. Such behavior is associated with a breakdown of the central limit theorem and weak ergodicity breaking. Here, we use single-particle tracking to study the statistics of bulk-mediated diffusion on a supported lipid bilayer. We find that the time-averaged mean square displacement (MSD) of individual trajectories, the archetypal measure in diffusion processes, does not converge to the ensemble MSD but it remains a random variable, even in the long observation-time limit. The distribution of time averages is shown to agree with a Lévy flight model. Our results also unravel intriguing anomalies in the statistics of displacements. The time averaged MSD is shown to depend on experimental time and investigations of fractional moments show a scaling 〈|r(t)|q〉 ∼ tqv(q) with non-linear exponents, i.e. v(q) ≠ const. This type of behavior is termed strong anomalous diffusion and is rare among experimental observations. PMID:27095275

Connecting the molecular scale to the continuum scale for diffusion processes in smectite-rich porous media.

PubMed

Bourg, Ian C; Sposito, Garrison

2010-03-15

In this paper, we address the manner in which the continuum-scale diffusive properties of smectite-rich porous media arise from their molecular- and pore-scale features. Our starting point is a successful model of the continuum-scale apparent diffusion coefficient for water tracers and cations, which decomposes it as a sum of pore-scale terms describing diffusion in macropore and interlayer "compartments." We then apply molecular dynamics (MD) simulations to determine molecular-scale diffusion coefficients D(interlayer) of water tracers and representative cations (Na(+), Cs(+), Sr(2+)) in Na-smectite interlayers. We find that a remarkably simple expression relates D(interlayer) to the pore-scale parameter δ(nanopore) ≤ 1, a constrictivity factor that accounts for the lower mobility in interlayers as compared to macropores: δ(nanopore) = D(interlayer)/D(0), where D(0) is the diffusion coefficient in bulk liquid water. Using this scaling expression, we can accurately predict the apparent diffusion coefficients of tracers H(2)0, Na(+), Sr(2+), and Cs(+) in compacted Na-smectite-rich materials.

Unity and diversity in mixing: Stretching, diffusion, breakup, and aggregation in chaotic flows

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

Ottino, J.M.

1991-05-01

Experiments and theory have produced a reasonably good qualitative understanding of the evolution of chaotic mixing of passive tracers, especially in two-dimensional time-periodic flow fields. Such an understanding forms a fabric for the evolution of breakup, aggregation, and diffusion-controlled reactions in more complex flows. These systems can be viewed as a population of microstructures'' whose behavior is dictated by iterations of a chaotic flow; microstructures break, diffuse, and aggregate, causing the population to evolve in space and time. This paper presents simple physical models for such processes. Self-similarity is common to all the problems; examples arise in the context ofmore » the distribution of stretchings within chaotic flows, in the asymptotic evolution of diffusion-reaction processes at striation thickness scales, in the equilibrium distribution of drop sizes generated upon mixing of immiscible fluids, in the equations describing mean-field kinetics of coagulation, in the sequence of actions necessary for the destruction of islands in two-dimensional flow, and in the fractal structure of clusters produced upon aggregation in chaotic flows.« less

Field validation of a free-agent cellular automata model of fire spread with fire–atmosphere coupling

Treesearch

Gary Achtemeier

2012-01-01

A cellular automata fire model represents ‘elements’ of fire by autonomous agents. A few simple algebraic expressions substituted for complex physical and meteorological processes and solved iteratively yield simulations for ‘super-diffusive’ fire spread and coupled surface-layer (2-m) fire–atmosphere processes. Pressure anomalies, which are integrals of the thermal...

Assessment of diffuser pressure loss on WWTPs in Baden-Württemberg.

PubMed

Krampe, J

2011-01-01

Aeration of activated sludge is a critical treatment step for the operation of activated sludge plants. To achieve a cost effective treatment process, assessing and benchmarking of aeration system performance are important measures. A simple means of gauging the relative condition of a fine bubble diffused aeration system is to evaluate the pressure loss of the diffusers as oxygen transfer tests are rarely applied during the lifetime of an aeration system. This paper shows an assessment of fine bubble diffuser systems in Baden-Württemberg, Germany, based on the results of a questionnaire sent to 941 WWTPs. Apart from the results with regards to the diffuser pressure loss, this paper also presents information on the current state of diffuser technology such as types and materials as well as the diffuser cleaning methods used in Baden-Württemberg. The majority of the WWTPs were equipped with tube diffusers (71%) with 50% of all plants having EPDM membranes installed. Regular mechanical cleaning is the most common cleaning method followed by regular pressure release/air-bumping programs during operations. With regard to the diffuser pressure loss it was found that 50% of the evaluated plants had a diffuser pressure loss that was twice as high as measured for new diffusers.

Mechanisms Underlying the Confined Diffusion of Cholera Toxin B-Subunit in Intact Cell Membranes

PubMed Central

Day, Charles A.; Kenworthy, Anne K.

2012-01-01

Multivalent glycolipid binding toxins such as cholera toxin have the capacity to cluster glycolipids, a process thought to be important for their functional uptake into cells. In contrast to the highly dynamic properties of lipid probes and many lipid-anchored proteins, the B-subunit of cholera toxin (CTxB) diffuses extremely slowly when bound to its glycolipid receptor GM1 in the plasma membrane of living cells. In the current study, we used confocal FRAP to examine the origins of this slow diffusion of the CTxB/GM1 complex at the cell surface, relative to the behavior of a representative GPI-anchored protein, transmembrane protein, and fluorescent lipid analog. We show that the diffusion of CTxB is impeded by actin- and ATP-dependent processes, but is unaffected by caveolae. At physiological temperature, the diffusion of several cell surface markers is unchanged in the presence of CTxB, suggesting that binding of CTxB to membranes does not alter the organization of the plasma membrane in a way that influences the diffusion of other molecules. Furthermore, diffusion of the B-subunit of another glycolipid-binding toxin, Shiga toxin, is significantly faster than that of CTxB, indicating that the confined diffusion of CTxB is not a simple function of its ability to cluster glycolipids. By identifying underlying mechanisms that control CTxB dynamics at the cell surface, these findings help to delineate the fundamental properties of toxin-receptor complexes in intact cell membranes. PMID:22511973

A simple pore water hydrogen diffusion syringe sampler

USGS Publications Warehouse

Vroblesky, D.A.; Chapelle, F.H.; Bradley, P.M.

2007-01-01

Molecular hydrogen (H2) is an important intermediate product and electron donor in microbial metabolism. Concentrations of dissolved H 2 are often diagnostic of the predominant terminal electron-accepting processes in ground water systems or aquatic sediments. H2 concentrations are routinely measured in ground water monitoring wells but are rarely measured in saturated aquatic sediments due to a lack of simple and practical sampling methods. This report describes the design and development (including laboratory and field testing) of a simple, syringe-based H 2 sampler in (1) saturated, riparian sediments, (2) surface water bed sediments, and (3) packed intervals of a fractured bedrock borehole that are inaccessible by standard pumped methods. ?? 2007 National Ground Water Association.

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

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

A novel grating-imaging method to measure carrier diffusion coefficient in graphene

NASA Astrophysics Data System (ADS)

Chen, Ke; Wang, Yaguo; Akinwande, Deji; Bank, Seth; Lin, Jung-Fu

Similar to carrier mobility, carrier diffusion coefficient in graphene determines the response rate of future graphene-based electronics. Here we present a simple, sensitive and non-destructive technique integrated with ultrafast pump-probe spectroscopy to measure carrier diffusion in CVD-grown graphene. In the method, the pump and the probe beams pass through the same area of a photomask with metal strips i.e. a transmission amplitude grating, and get diffracted. The diffracted light is collected by an objective lens and focused onto the sample to generate carrier density grating. Relaxation of this carrier density grating is governed by both carrier recombination and carrier diffusion in the sample. Transient transmission change of the probe beams, which reflects this relaxation process, is recorded. The measured diffusion coefficients of multilayer and monolayer CVD-grown graphene are 2000cm2/s and 10000cm2/s, respectively, comparable with the reported values of epitaxial graphene and reduced graphene. This transmission grating technique can be used to measure carrier dynamics in versatile 2D materials.

Microbial production of organic acids in aquitard sediments and its role in aquifer geochemistry

USGS Publications Warehouse

McMahon, P.B.; Chapelle, F.H.

1991-01-01

MICROBIAL activity in aquifers plays an important part in the chemical evolution of ground water1-5. The most important terminal electron-accepting microbial processes in deeply buried anaerobic aquifers are iron reduction, sulphate reduction and methanogenesis5-8, each of which requires simple organic compounds or hydrogen (H2) as electron donors. Until now, the source of these compounds was unknown because the concentrations of dissolved organic carbon and sedimentary organic carbon in aquifers are extremely low9-11. Here we show that rates of microbial fermentation exceed rates of respiration in organic-rich aquitards (low-permeability sediments stratigraphically adjacent to higher-permeability aquifer sediments), resulting in a net accumulation of simple organic acids in pore waters. In aquifers, however, respiration outpaces fermentation, resulting in a net consumption of organic acids. The concentration gradient that develops in response to these two processes drives a net diffusive flux of organic acids from aquitards to aquifers. Diffusion calculations demonstrate that rates of organic acid transport are sufficient to account for observed rates of microbial respiration in aquifers. This overall process effectively links the large pool of sedimentary organic carbon in aquitards to microbial respiration in aquifers, and is a principal mechanism driving groundwater chemistry changes in aquifers.

A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive Processes.

PubMed

Ovchinnikov, Victor; Nam, Kwangho; Karplus, Martin

2016-08-25

A method is developed to obtain simultaneously free energy profiles and diffusion constants from restrained molecular simulations in diffusive systems. The method is based on low-order expansions of the free energy and diffusivity as functions of the reaction coordinate. These expansions lead to simple analytical relationships between simulation statistics and model parameters. The method is tested on 1D and 2D model systems; its accuracy is found to be comparable to or better than that of the existing alternatives, which are briefly discussed. An important aspect of the method is that the free energy is constructed by integrating its derivatives, which can be computed without need for overlapping sampling windows. The implementation of the method in any molecular simulation program that supports external umbrella potentials (e.g., CHARMM) requires modification of only a few lines of code. As a demonstration of its applicability to realistic biomolecular systems, the method is applied to model the α-helix ↔ β-sheet transition in a 16-residue peptide in implicit solvent, with the reaction coordinate provided by the string method. Possible modifications of the method are briefly discussed; they include generalization to multidimensional reaction coordinates [in the spirit of the model of Ermak and McCammon (Ermak, D. L.; McCammon, J. A. J. Chem. Phys. 1978, 69, 1352-1360)], a higher-order expansion of the free energy surface, applicability in nonequilibrium systems, and a simple test for Markovianity. In view of the small overhead of the method relative to standard umbrella sampling, we suggest its routine application in the cases where umbrella potential simulations are appropriate.

Very-high thermal and electrical conductivity in overpressure-processed Bi2Sr2CaCu2O8+x wires

NASA Astrophysics Data System (ADS)

Bonura, M.; Avitabile, F.; Barth, C.; Jiang, J.; Larbalestier, D.; Fête, A.; Leo, A.; Bottura, L.; Senatore, C.

2018-05-01

The residual-resistivity ratio (RRR) of the normal-metal matrix is a key parameter for the electrical and thermal stability of technical superconductors. In Bi2Sr2CaCu2 {{{O}}}8+x (Bi-2212) round wires, the precursor powders are embedded in a Ag matrix without any diffusion barrier, and elemental diffusion from the superconducting filaments into the Ag might be expected to contaminate the matrix during the melt processing required for high critical current density development. This work shows that the overpressure processing, which is adopted to enhance the critical current performance, improves the thermal and electrical conductivities of the conductor, too. In the case of wires reacted with a standard processing performed in 1 bar O2, the RRR of the Ag matrix is about 90, in spite of the simple conductor design that does not include diffusion barriers. Increasing the total reaction pressure to 100 bar improves the RRR to about 200. The differences in RRR reflect on the thermal conductivity of the whole conductor, which has been investigated in magnetic fields up to 19 T.

Numerical study of centrifugal compressor stage vaneless diffusers

NASA Astrophysics Data System (ADS)

Galerkin, Y.; Soldatova, K.; Solovieva, O.

2015-08-01

The authors analyzed CFD calculations of flow in vaneless diffusers with relative width in range from 0.014 to 0.100 at inlet flow angles in range from 100 to 450 with different inlet velocity coefficients, Reynolds numbers and surface roughness. The aim is to simulate calculated performances by simple algebraic equations. The friction coefficient that represents head losses as friction losses is proposed for simulation. The friction coefficient and loss coefficient are directly connected by simple equation. The advantage is that friction coefficient changes comparatively little in range of studied parameters. Simple equations for this coefficient are proposed by the authors. The simulation accuracy is sufficient for practical calculations. To create the complete algebraic model of the vaneless diffuser the authors plan to widen this method of modeling to diffusers with different relative length and for wider range of Reynolds numbers.

Parallel STEPS: Large Scale Stochastic Spatial Reaction-Diffusion Simulation with High Performance Computers

PubMed Central

Chen, Weiliang; De Schutter, Erik

2017-01-01

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of models and morphologies have exceeded the capacity of any serial implementation. This led to the development of parallel solutions that benefit from the boost in performance of modern supercomputers. In this paper, we describe an MPI-based, parallel operator-splitting implementation for stochastic spatial reaction-diffusion simulations with irregular tetrahedral meshes. The performance of our implementation is first examined and analyzed with simulations of a simple model. We then demonstrate its application to real-world research by simulating the reaction-diffusion components of a published calcium burst model in both Purkinje neuron sub-branch and full dendrite morphologies. Simulation results indicate that our implementation is capable of achieving super-linear speedup for balanced loading simulations with reasonable molecule density and mesh quality. In the best scenario, a parallel simulation with 2,000 processes runs more than 3,600 times faster than its serial SSA counterpart, and achieves more than 20-fold speedup relative to parallel simulation with 100 processes. In a more realistic scenario with dynamic calcium influx and data recording, the parallel simulation with 1,000 processes and no load balancing is still 500 times faster than the conventional serial SSA simulation. PMID:28239346

Parallel STEPS: Large Scale Stochastic Spatial Reaction-Diffusion Simulation with High Performance Computers.

PubMed

Chen, Weiliang; De Schutter, Erik

2017-01-01

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of models and morphologies have exceeded the capacity of any serial implementation. This led to the development of parallel solutions that benefit from the boost in performance of modern supercomputers. In this paper, we describe an MPI-based, parallel operator-splitting implementation for stochastic spatial reaction-diffusion simulations with irregular tetrahedral meshes. The performance of our implementation is first examined and analyzed with simulations of a simple model. We then demonstrate its application to real-world research by simulating the reaction-diffusion components of a published calcium burst model in both Purkinje neuron sub-branch and full dendrite morphologies. Simulation results indicate that our implementation is capable of achieving super-linear speedup for balanced loading simulations with reasonable molecule density and mesh quality. In the best scenario, a parallel simulation with 2,000 processes runs more than 3,600 times faster than its serial SSA counterpart, and achieves more than 20-fold speedup relative to parallel simulation with 100 processes. In a more realistic scenario with dynamic calcium influx and data recording, the parallel simulation with 1,000 processes and no load balancing is still 500 times faster than the conventional serial SSA simulation.

Time scale of random sequential adsorption.

PubMed

Erban, Radek; Chapman, S Jonathan

2007-04-01

A simple multiscale approach to the diffusion-driven adsorption from a solution to a solid surface is presented. The model combines two important features of the adsorption process: (i) The kinetics of the chemical reaction between adsorbing molecules and the surface and (ii) geometrical constraints on the surface made by molecules which are already adsorbed. The process (i) is modeled in a diffusion-driven context, i.e., the conditional probability of adsorbing a molecule provided that the molecule hits the surface is related to the macroscopic surface reaction rate. The geometrical constraint (ii) is modeled using random sequential adsorption (RSA), which is the sequential addition of molecules at random positions on a surface; one attempt to attach a molecule is made per one RSA simulation time step. By coupling RSA with the diffusion of molecules in the solution above the surface the RSA simulation time step is related to the real physical time. The method is illustrated on a model of chemisorption of reactive polymers to a virus surface.

A deterministic Lagrangian particle separation-based method for advective-diffusion problems

NASA Astrophysics Data System (ADS)

Wong, Ken T. M.; Lee, Joseph H. W.; Choi, K. W.

2008-12-01

A simple and robust Lagrangian particle scheme is proposed to solve the advective-diffusion transport problem. The scheme is based on relative diffusion concepts and simulates diffusion by regulating particle separation. This new approach generates a deterministic result and requires far less number of particles than the random walk method. For the advection process, particles are simply moved according to their velocity. The general scheme is mass conservative and is free from numerical diffusion. It can be applied to a wide variety of advective-diffusion problems, but is particularly suited for ecological and water quality modelling when definition of particle attributes (e.g., cell status for modelling algal blooms or red tides) is a necessity. The basic derivation, numerical stability and practical implementation of the NEighborhood Separation Technique (NEST) are presented. The accuracy of the method is demonstrated through a series of test cases which embrace realistic features of coastal environmental transport problems. Two field application examples on the tidal flushing of a fish farm and the dynamics of vertically migrating marine algae are also presented.

Simple scaling laws for the evaporation of droplets pinned on pillars: Transfer-rate- and diffusion-limited regimes.

PubMed

Hernandez-Perez, Ruth; García-Cordero, José L; Escobar, Juan V

2017-12-01

The evaporation of droplets can give rise to a wide range of interesting phenomena in which the dynamics of the evaporation are crucial. In this work, we find simple scaling laws for the evaporation dynamics of axisymmetric droplets pinned on millimeter-sized pillars. Different laws are found depending on whether evaporation is limited by the diffusion of vapor molecules or by the transfer rate across the liquid-vapor interface. For the diffusion-limited regime, we find that a mass-loss rate equal to 3/7 of that of a free-standing evaporating droplet brings a good balance between simplicity and physical correctness. We also find a scaling law for the evaporation of multicomponent solutions. The scaling laws found are validated against experiments of the evaporation of droplets of (1) water, (2) blood plasma, and (3) a mixture of water and polyethylene glycol, pinned on acrylic pillars of different diameters. These results shed light on the macroscopic dynamics of evaporation on pillars as a first step towards the understanding of other complex phenomena that may be taking place during the evaporation process, such as particle transport and chemical reactions.

Simple scaling laws for the evaporation of droplets pinned on pillars: Transfer-rate- and diffusion-limited regimes

NASA Astrophysics Data System (ADS)

Hernandez-Perez, Ruth; García-Cordero, José L.; Escobar, Juan V.

2017-12-01

The evaporation of droplets can give rise to a wide range of interesting phenomena in which the dynamics of the evaporation are crucial. In this work, we find simple scaling laws for the evaporation dynamics of axisymmetric droplets pinned on millimeter-sized pillars. Different laws are found depending on whether evaporation is limited by the diffusion of vapor molecules or by the transfer rate across the liquid-vapor interface. For the diffusion-limited regime, we find that a mass-loss rate equal to 3/7 of that of a free-standing evaporating droplet brings a good balance between simplicity and physical correctness. We also find a scaling law for the evaporation of multicomponent solutions. The scaling laws found are validated against experiments of the evaporation of droplets of (1) water, (2) blood plasma, and (3) a mixture of water and polyethylene glycol, pinned on acrylic pillars of different diameters. These results shed light on the macroscopic dynamics of evaporation on pillars as a first step towards the understanding of other complex phenomena that may be taking place during the evaporation process, such as particle transport and chemical reactions.

Approximate Analytical Time-Dependent Solutions to Describe Large-Amplitude Local Calcium Transients in the Presence of Buffers

PubMed Central

Mironova, Lidia A.; Mironov, Sergej L.

2008-01-01

Local Ca2+ signaling controls many neuronal functions, which is often achieved through spatial localization of Ca2+ signals. These nanodomains are formed due to combined effects of Ca2+ diffusion and binding to the cytoplasmic buffers. In this article we derived simple analytical expressions to describe Ca2+ diffusion in the presence of mobile and immobile buffers. A nonlinear character of the reaction-diffusion problem was circumvented by introducing a logarithmic approximation of the concentration term. The obtained formulas reproduce free Ca2+ levels up to 50 μM and their changes in the millisecond range. Derived equations can be useful to predict spatiotemporal profiles of large-amplitude [Ca2+] transients, which participate in various physiological processes. PMID:17872951

Diffusing wave spectroscopy studies of gelling systems

NASA Astrophysics Data System (ADS)

Horne, David S.

1991-06-01

The recognition that the transmission of light through a concentrated, opaque system can be treated as a diffusion process has extended the application of photon correlation techniques to the study of particle size, mobility and interactions in such systems. Solutions of the photon diffusion equation are sensitive to the boundary conditions imposed by the geometry of the scattering apparatus. The apparatus, incorporating a bifurcated fiber optic bundle for light transmission between source, sample and detector, takes advantage of the particularly simple solution for a back-scattering configuration. Its ability to measure particle size using monodisperse polystyrene latices and to respond to concentration dependent particle interactions in a study of casein micelle mobility in skim and concentrated milks is demonstrated. Finally, the changes in dynamic light scattering behavior occurring during colloidal gel formation are described and discussed.

Porous medium acoustics of wave-induced vorticity diffusion

NASA Astrophysics Data System (ADS)

Müller, T. M.; Sahay, P. N.

2011-02-01

A theory for attenuation and dispersion of elastic waves due to wave-induced generation of vorticity at pore-scale heterogeneities in a macroscopically homogeneous porous medium is developed. The diffusive part of the vorticity field associated with a viscous wave in the pore space—the so-called slow shear wave—is linked to the porous medium acoustics through incorporation of the fluid strain rate tensor of a Newtonian fluid in the poroelastic constitutive relations. The method of statistical smoothing is then used to derive dynamic-equivalent elastic wave velocities accounting for the conversion scattering process into the diffusive slow shear wave in the presence of randomly distributed pore-scale heterogeneities. The result is a simple model for wave attenuation and dispersion associated with the transition from viscosity- to inertia-dominated flow regime.

Estimating the Diffusion Coefficients of Sugars Using Diffusion Experiments in Agar-Gel and Computer Simulations.

PubMed

Miyamoto, Shuichi; Atsuyama, Kenji; Ekino, Keisuke; Shin, Takashi

2018-01-01

The isolation of useful microbes is one of the traditional approaches for the lead generation in drug discovery. As an effective technique for microbe isolation, we recently developed a multidimensional diffusion-based gradient culture system of microbes. In order to enhance the utility of the system, it is favorable to have diffusion coefficients of nutrients such as sugars in the culture medium beforehand. We have, therefore, built a simple and convenient experimental system that uses agar-gel to observe diffusion. Next, we performed computer simulations-based on random-walk concepts-of the experimental diffusion system and derived correlation formulas that relate observable diffusion data to diffusion coefficients. Finally, we applied these correlation formulas to our experimentally-determined diffusion data to estimate the diffusion coefficients of sugars. Our values for these coefficients agree reasonably well with values published in the literature. The effectiveness of our simple technique, which has elucidated the diffusion coefficients of some molecules which are rarely reported (e.g., galactose, trehalose, and glycerol) is demonstrated by the strong correspondence between the literature values and those obtained in our experiments.

Minimisation of Signal Intensity Differences in Distortion Correction Approaches of Brain Magnetic Resonance Diffusion Tensor Imaging.

PubMed

Lee, Dong-Hoon; Lee, Do-Wan; Henry, David; Park, Hae-Jin; Han, Bong-Soo; Woo, Dong-Cheol

2018-04-12

To evaluate the effects of signal intensity differences between the b0 image and diffusion tensor imaging (DTI) in the image registration process. To correct signal intensity differences between the b0 image and DTI data, a simple image intensity compensation (SIMIC) method, which is a b0 image re-calculation process from DTI data, was applied before the image registration. The re-calculated b0 image (b0 ext ) from each diffusion direction was registered to the b0 image acquired through the MR scanning (b0 nd ) with two types of cost functions and their transformation matrices were acquired. These transformation matrices were then used to register the DTI data. For quantifications, the dice similarity coefficient (DSC) values, diffusion scalar matrix, and quantified fibre numbers and lengths were calculated. The combined SIMIC method with two cost functions showed the highest DSC value (0.802 ± 0.007). Regarding diffusion scalar values and numbers and lengths of fibres from the corpus callosum, superior longitudinal fasciculus, and cortico-spinal tract, only using normalised cross correlation (NCC) showed a specific tendency toward lower values in the brain regions. Image-based distortion correction with SIMIC for DTI data would help in image analysis by accounting for signal intensity differences as one additional option for DTI analysis. • We evaluated the effects of signal intensity differences at DTI registration. • The non-diffusion-weighted image re-calculation process from DTI data was applied. • SIMIC can minimise the signal intensity differences at DTI registration.

A Simple, Analytical Model of Collisionless Magnetic Reconnection in a Pair Plasma

NASA Technical Reports Server (NTRS)

Hesse, Michael; Zenitani, Seiji; Kuznetova, Masha; Klimas, Alex

2011-01-01

A set of conservation equations is utilized to derive balance equations in the reconnection diffusion region of a symmetric pair plasma. The reconnection electric field is assumed to have the function to maintain the current density in the diffusion region, and to impart thermal energy to the plasma by means of quasi-viscous dissipation. Using these assumptions it is possible to derive a simple set of equations for diffusion region parameters in dependence on inflow conditions and on plasma compressibility. These equations are solved by means of a simple, iterative, procedure. The solutions show expected features such as dominance of enthalpy flux in the reconnection outflow, as well as combination of adiabatic and quasi-viscous heating. Furthermore, the model predicts a maximum reconnection electric field of E(sup *)=0.4, normalized to the parameters at the inflow edge of the diffusion region.

A simple, analytical model of collisionless magnetic reconnection in a pair plasma

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

Hesse, Michael; Zenitani, Seiji; Kuznetsova, Masha

2009-10-15

A set of conservation equations is utilized to derive balance equations in the reconnection diffusion region of a symmetric pair plasma. The reconnection electric field is assumed to have the function to maintain the current density in the diffusion region and to impart thermal energy to the plasma by means of quasiviscous dissipation. Using these assumptions it is possible to derive a simple set of equations for diffusion region parameters in dependence on inflow conditions and on plasma compressibility. These equations are solved by means of a simple, iterative procedure. The solutions show expected features such as dominance of enthalpymore » flux in the reconnection outflow, as well as combination of adiabatic and quasiviscous heating. Furthermore, the model predicts a maximum reconnection electric field of E{sup *}=0.4, normalized to the parameters at the inflow edge of the diffusion region.« less

A simple example of a classical gauge transformation

NASA Technical Reports Server (NTRS)

Whitten, R. C.

1983-01-01

Attention is given to the manner in which the interaction of a gravitational field with a diffusing gas is induced by a gauge transformation. Since the gas can be thought of as a field, the diffusion process may be represented by a Lagrangian density with the symmetry property of invariance under translation. While this property is lost when the field interacts with a static gravitational field, it is formally restored when an appropriate gauge transformation is performed. This ascription of field properties to a gas offers an illuminating illustration of the coupling of matter to a gauge field within the context of classical mechanics.

Modelling nematode movement using time-fractional dynamics.

PubMed

Hapca, Simona; Crawford, John W; MacMillan, Keith; Wilson, Mike J; Young, Iain M

2007-09-07

We use a correlated random walk model in two dimensions to simulate the movement of the slug parasitic nematode Phasmarhabditis hermaphrodita in homogeneous environments. The model incorporates the observed statistical distributions of turning angle and speed derived from time-lapse studies of individual nematode trails. We identify strong temporal correlations between the turning angles and speed that preclude the case of a simple random walk in which successive steps are independent. These correlated random walks are appropriately modelled using an anomalous diffusion model, more precisely using a fractional sub-diffusion model for which the associated stochastic process is characterised by strong memory effects in the probability density function.

The Effect of Pickling on Blue Borscht Gelatin and Other Interesting Diffusive Phenomena.

ERIC Educational Resources Information Center

Davis, Lawrence C.; Chou, Nancy C.

1998-01-01

Presents some simple demonstrations that students can construct for themselves in class to learn the difference between diffusion and convection rates. Uses cabbage leaves and gelatin and focuses on diffusion in ungelified media, a quantitative diffusion estimate with hydroxyl ions, and a quantitative diffusion estimate with photons. (DDR)

An Eddy-Diffusivity Mass-flux (EDMF) closure for the unified representation of cloud and convective processes

NASA Astrophysics Data System (ADS)

Tan, Z.; Schneider, T.; Teixeira, J.; Lam, R.; Pressel, K. G.

2014-12-01

Sub-grid scale (SGS) closures in current climate models are usually decomposed into several largely independent parameterization schemes for different cloud and convective processes, such as boundary layer turbulence, shallow convection, and deep convection. These separate parameterizations usually do not converge as the resolution is increased or as physical limits are taken. This makes it difficult to represent the interactions and smooth transition among different cloud and convective regimes. Here we present an eddy-diffusivity mass-flux (EDMF) closure that represents all sub-grid scale turbulent, convective, and cloud processes in a unified parameterization scheme. The buoyant updrafts and precipitative downdrafts are parameterized with a prognostic multiple-plume mass-flux (MF) scheme. The prognostic term for the mass flux is kept so that the life cycles of convective plumes are better represented. The interaction between updrafts and downdrafts are parameterized with the buoyancy-sorting model. The turbulent mixing outside plumes is represented by eddy diffusion, in which eddy diffusivity (ED) is determined from a turbulent kinetic energy (TKE) calculated from a TKE balance that couples the environment with updrafts and downdrafts. Similarly, tracer variances are decomposed consistently between updrafts, downdrafts and the environment. The closure is internally coupled with a probabilistic cloud scheme and a simple precipitation scheme. We have also developed a relatively simple two-stream radiative scheme that includes the longwave (LW) and shortwave (SW) effects of clouds, and the LW effect of water vapor. We have tested this closure in a single-column model for various regimes spanning stratocumulus, shallow cumulus, and deep convection. The model is also run towards statistical equilibrium with climatologically relevant large-scale forcings. These model tests are validated against large-eddy simulation (LES) with the same forcings. The comparison of results verifies the capacity of this closure to realistically represent different cloud and convective processes. Implementation of the closure in an idealized GCM allows us to study cloud feedbacks to climate change and to study the interactions between clouds, convections, and the large-scale circulation.

Melting of Simple Solids and the Elementary Excitations of the Communal Entropy

NASA Astrophysics Data System (ADS)

Bongiorno, Angelo

2010-03-01

The melting phase transition of simple solids is addressed through the use of atomistic computer simulations. Three transition metals (Ni, Au, and Pt) and a semiconductor (Si) are considered in this study. Iso-enthalpic molecular dynamics simulations are used to compute caloric curves across the solid-to-liquid phase transition of a periodic crystalline system, to construct the free energy function of the solid and liquid phases, and thus to derive the thermodynamical limit of the melting point, latent heat and entropy of fusion of the material. The computational strategy used in this study yields accurate estimates of melting parameters, it consents to determine the superheating and supercooling temperature limits, and it gives access to the atomistic mechanisms mediating the melting process. In particular, it is found that the melting phase transition in simple solids is driven by exchange steps involving a few atoms and preserving the crystalline structure. These self-diffusion phenomena correspond to the elementary excitations of the communal entropy and, as their rate depends on the local material cohesivity, they mediate both the homogeneous and non-homogeneous melting process in simple solids.

Comparative study between simple and optimized liposomal dispersion of quetiapine fumarate for diffusion through nasal route.

PubMed

Upadhyay, Pratik; Trivedi, Jatin; Pundarikakshudu, Kilambi; Sheth, Navin

2016-05-01

Nasal route of drug administration is preferred more and more for the targeted delivery to the brain in current drug development scenario due to its ease of use, reliability, quick action, and lesser side effects. Those CNS drugs which have limited oral bioavailability due to pharmacokinetic consequences and brain barrier repulsion are getting onto this direction. Quetiapine fumarate, an analogous to above and an antischizophrenic agent, is tested for its diffusion property with and without lipophilic carrier through sheep nasal membrane. Being a BCS class II' and high permeable candidate, it tends to crossover easily, so made up in a simple dispersion. To improve its diffusion rate, it was embedded into liposomal dispersion, which has proven that it has advanced efficiency for diffusion. For this, both the formulations were checked and compared for their diffusion profile, as it is an essential property for bioavailability through nasal route. Comparison was made on the basis of % drug diffusion within 6 h, rate, mechanism, profile, and coefficient. Liposomal dispersion has been proved superior with greater percentage diffusion of 32.61 ± 1.70 and very high permeability with a coefficient value of 4.1334 ± 0.7321 (× 10 (-) (5 )cm/s). Diffusion profile comparison bearing dissimilarity of 18 and similarity of 74 indicated that the diffusion profiles of liposomal dispersions and simple dispersion were similar but not identical. Liposomal diffusion supremacy was further sustained by in vivo, ciliotoxicity, and gamma scintigraphy studies.

Spin-diffusions and diffusive molecular dynamics

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Dynamic Monte Carlo description of thermal desorption processes

NASA Astrophysics Data System (ADS)

Weinketz, Sieghard

1994-07-01

The applicability of the dynamic Monte Carlo method of Fichthorn and Weinberg, in which the time evolution of a system is described in terms of the absolute number of different microscopic possible events and their associated transition rates, is discussed for the case of thermal desorption simulations. It is shown that the definition of the time increment at each successful event leads naturally to the macroscopic differential equation of desorption, in the case of simple first- and second-order processes in which the only possible events are desorption and diffusion. This equivalence is numerically demonstrated for a second-order case. In the sequence, the equivalence of this method with the Monte Carlo method of Sales and Zgrablich for more complex desorption processes, allowing for lateral interactions between adsorbates, is shown, even though the dynamic Monte Carlo method does not bear their limitation of a rapid surface diffusion condition, thus being able to describe a more complex ``kinetics'' of surface reactive processes, and therefore be applied to a wider class of phenomena, such as surface catalysis.

Use of the temporal median and trimmed mean mitigates effects of respiratory motion in multiple-acquisition abdominal diffusion imaging

NASA Astrophysics Data System (ADS)

Jerome, N. P.; Orton, M. R.; d'Arcy, J. A.; Feiweier, T.; Tunariu, N.; Koh, D.-M.; Leach, M. O.; Collins, D. J.

2015-01-01

Respiratory motion commonly confounds abdominal diffusion-weighted magnetic resonance imaging, where averaging of successive samples at different parts of the respiratory cycle, performed in the scanner, manifests the motion as blurring of tissue boundaries and structural features and can introduce bias into calculated diffusion metrics. Storing multiple averages separately allows processing using metrics other than the mean; in this prospective volunteer study, median and trimmed mean values of signal intensity for each voxel over repeated averages and diffusion-weighting directions are shown to give images with sharper tissue boundaries and structural features for moving tissues, while not compromising non-moving structures. Expert visual scoring of derived diffusion maps is significantly higher for the median than for the mean, with modest improvement from the trimmed mean. Diffusion metrics derived from mono- and bi-exponential diffusion models are comparable for non-moving structures, demonstrating a lack of introduced bias from using the median. The use of the median is a simple and computationally inexpensive alternative to complex and expensive registration algorithms, requiring only additional data storage (and no additional scanning time) while returning visually superior images that will facilitate the appropriate placement of regions-of-interest when analysing abdominal diffusion-weighted magnetic resonance images, for assessment of disease characteristics and treatment response.

Use of the temporal median and trimmed mean mitigates effects of respiratory motion in multiple-acquisition abdominal diffusion imaging.

PubMed

Jerome, N P; Orton, M R; d'Arcy, J A; Feiweier, T; Tunariu, N; Koh, D-M; Leach, M O; Collins, D J

2015-01-21

Respiratory motion commonly confounds abdominal diffusion-weighted magnetic resonance imaging, where averaging of successive samples at different parts of the respiratory cycle, performed in the scanner, manifests the motion as blurring of tissue boundaries and structural features and can introduce bias into calculated diffusion metrics. Storing multiple averages separately allows processing using metrics other than the mean; in this prospective volunteer study, median and trimmed mean values of signal intensity for each voxel over repeated averages and diffusion-weighting directions are shown to give images with sharper tissue boundaries and structural features for moving tissues, while not compromising non-moving structures. Expert visual scoring of derived diffusion maps is significantly higher for the median than for the mean, with modest improvement from the trimmed mean. Diffusion metrics derived from mono- and bi-exponential diffusion models are comparable for non-moving structures, demonstrating a lack of introduced bias from using the median. The use of the median is a simple and computationally inexpensive alternative to complex and expensive registration algorithms, requiring only additional data storage (and no additional scanning time) while returning visually superior images that will facilitate the appropriate placement of regions-of-interest when analysing abdominal diffusion-weighted magnetic resonance images, for assessment of disease characteristics and treatment response.

Hydrogen mitigation in submerged arc welding

NASA Astrophysics Data System (ADS)

Klimowicz, Steven

With the role of hydrogen in weld metal well understood in its relation to cold cracking, there has been a push to produce welds with lower and lower diffusible hydrogen contents. The push for lower diffusible hydrogen contents has placed pressure on consumables manufactures to create consumables that can achieve the requirements for lower diffusible hydrogen content. Currently EM12K flux is produced so that it can achieve below 4 ml of diffusible hydrogen for every 100g of weld metal deposited (ml/100g) for submerged arc welding (SAW). The recent trend for industry is to preferentially achieve diffusible hydrogen contents below 3 ml/100g. Making it necessary to find a way to modify the flux to achieve a lower diffusible hydrogen content for the welds it produces. To achieve this goal a two phase plan was developed. The first phase was to characterize the entire welding system for hydrogen. Since the goal of the project is hydrogen mitigation, any amount of hydrogen that could be reduced is helpful and therefore must first be discovered. Sources of hydrogen may be found by analyzing the welding wire and base metal, as well as breaking the flux down into its components and production steps. The wire was analyzed for total hydrogen content as was the base metal. The flux and its components were analyzed using differential thermal analysis-simultaneous thermal analysis (DTA-STA) and later vacuum degassing for moisture content. The analysis of the wire showed that the copper coating on the wire was the largest contributor of hydrogen. There was lubricant present on the wire surface as well, but it did not contribute as much as the copper coating. It was found that a simple low temperature baking of the wire was enough to remove the lubricant and coating moisture. The base metal was found to have a similar total hydrogen content to that of the wire. The breakdown of the flux and production process for moisture content analysis revealed that the production process removes the moisture that is added by the water based binder. The second phase of the project was to modify the flux with fluoride additions to remove hydrogen from the arc while welding. The introduction of fluorine into the arc would lower the amount of hydrogen that may be absorbed as diffusible hydrogen by the weld metal. To select the fluorides a series of thermodynamic calculations were performed as well as simple tests to determine the fluorides behavior in a welding arc and flux. From these tests the following fluorides were selected to be used to be added to EM12K flux as oneweight percent additions: SrF 2, K2TiF6, K2SiF6, and LiF. Welds were then run with the experimental fluxes according to AWS A4.3 standard for diffusible hydrogen testing. From these tests it was found that none experimental fluxes were able to achieve a diffusible hydrogen content lower than the original EM12K flux. It was also found that fluoride reduction in a simple flux is a better predictor of fluoride effectiveness than decomposition temperature.

Interfacial layers in high-temperature-oxidized NiCrAl

NASA Technical Reports Server (NTRS)

Larson, L. A.; Browning, R.; Poppa, H.; Smialek, J.

1983-01-01

The utility of Auger electron spectroscopy combined with ball cratering for depth analysis of oxide and diffusion layers produced in a Ni-14Cr-24Al alloy by oxidation in air at 1180 C for 25 hr is demonstrated. During postoxidation cooling, the oxide layers formed by this alloy spalled profusely. The remaining very thin oxide was primarily Cr2O3 with a trace of Ni. The underlying metal substrate exhibited gamma/gamma-prime and beta phases with a metallic interfacial layer which was similar to the bulk gamma/gamma-prime phase but slightly enriched in Cr and Al. These data are compared to electron microprobe results from a nominally identical alloy. The diffusion layer thickness is modelled with a simple mass balance equation and compared to recent results on the diffusion process in NiCrAl alloys.

Cosmic Ray Hysteresis as Evidence for Time-dependent Diffusive Processes in the Long Term Solar Modulation

NASA Technical Reports Server (NTRS)

Ogallagher, J. J.

1973-01-01

A simple one-dimensional time-dependent diffusion-convection model for the modulation of cosmic rays is presented. This model predicts that the observed intensity at a given time is approximately equal to the intensity given by the time independent diffusion convection solution under interplanetary conditions which existed a time iota in the past, (U(t sub o) = U sub s(t sub o - tau)) where iota is the average time spent by a particle inside the modulating cavity. Delay times in excess of several hundred days are possible with reasonable modulation parameters. Interpretation of phase lags observed during the 1969 to 1970 solar maximum in terms of this model suggests that the modulating region is probably not less than 10 a.u. and maybe as much as 35 a.u. in extent.

Plasma transport in the Io torus - The importance of microscopic diffusion

NASA Technical Reports Server (NTRS)

Mei, YI; Thorne, Richard M.

1991-01-01

This paper considers the question of whether the distribution of mass in the Io plasma torus is consistent with the concept of interchange eddy transport. Specifically, the flux tube content exhibits a gradual decrease with increasing radial distance from the source near Io without any evidence for substantial density irregularity associated with the plasma source or loss. Using a simple one-dimensional numerical model to simulate macroscopic interchange eddy transport, it is demonstrated that this smooth equilibrium distribution of mass can occur but only with the inclusion of a minimal level of small scale microscopic mixing at a rate approaching Bohm diffusion. Otherwise, the system exhibits a chaotic appearance which never approaches an equilibrium distribution. Various physical mechanisms for the microscopic diffusion process which is required to provide a sufficiently rapid mixing of material between the macroscopic eddies are discussed.

Surface Transient Binding-Based Fluorescence Correlation Spectroscopy (STB-FCS), a Simple and Easy-to-Implement Method to Extend the Upper Limit of the Time Window to Seconds.

PubMed

Peng, Sijia; Wang, Wenjuan; Chen, Chunlai

2018-05-10

Fluorescence correlation spectroscopy is a powerful single-molecule tool that is able to capture kinetic processes occurring at the nanosecond time scale. However, the upper limit of its time window is restricted by the dwell time of the molecule of interest in the confocal detection volume, which is usually around submilliseconds for a freely diffusing biomolecule. Here, we present a simple and easy-to-implement method, named surface transient binding-based fluorescence correlation spectroscopy (STB-FCS), which extends the upper limit of the time window to seconds. We further demonstrated that STB-FCS enables capture of both intramolecular and intermolecular kinetic processes whose time scales cross several orders of magnitude.

Counter-extrapolation method for conjugate interfaces in computational heat and mass transfer.

PubMed

Le, Guigao; Oulaid, Othmane; Zhang, Junfeng

2015-03-01

In this paper a conjugate interface method is developed by performing extrapolations along the normal direction. Compared to other existing conjugate models, our method has several technical advantages, including the simple and straightforward algorithm, accurate representation of the interface geometry, applicability to any interface-lattice relative orientation, and availability of the normal gradient. The model is validated by simulating the steady and unsteady convection-diffusion system with a flat interface and the steady diffusion system with a circular interface, and good agreement is observed when comparing the lattice Boltzmann results with respective analytical solutions. A more general system with unsteady convection-diffusion process and a curved interface, i.e., the cooling process of a hot cylinder in a cold flow, is also simulated as an example to illustrate the practical usefulness of our model, and the effects of the cylinder heat capacity and thermal diffusivity on the cooling process are examined. Results show that the cylinder with a larger heat capacity can release more heat energy into the fluid and the cylinder temperature cools down slower, while the enhanced heat conduction inside the cylinder can facilitate the cooling process of the system. Although these findings appear obvious from physical principles, the confirming results demonstrates the application potential of our method in more complex systems. In addition, the basic idea and algorithm of the counter-extrapolation procedure presented here can be readily extended to other lattice Boltzmann models and even other computational technologies for heat and mass transfer systems.

Modeling cytoskeletal traffic: an interplay between passive diffusion and active transport.

PubMed

Neri, Izaak; Kern, Norbert; Parmeggiani, Andrea

2013-03-01

We introduce the totally asymmetric simple exclusion process with Langmuir kinetics on a network as a microscopic model for active motor protein transport on the cytoskeleton, immersed in the diffusive cytoplasm. We discuss how the interplay between active transport along a network and infinite diffusion in a bulk reservoir leads to a heterogeneous matter distribution on various scales: we find three regimes for steady state transport, corresponding to the scale of the network, of individual segments, or local to sites. At low exchange rates strong density heterogeneities develop between different segments in the network. In this regime one has to consider the topological complexity of the whole network to describe transport. In contrast, at moderate exchange rates the transport through the network decouples, and the physics is determined by single segments and the local topology. At last, for very high exchange rates the homogeneous Langmuir process dominates the stationary state. We introduce effective rate diagrams for the network to identify these different regimes. Based on this method we develop an intuitive but generic picture of how the stationary state of excluded volume processes on complex networks can be understood in terms of the single-segment phase diagram.

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

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

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

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

Random element method for numerical modeling of diffusional processes

NASA Technical Reports Server (NTRS)

Ghoniem, A. F.; Oppenheim, A. K.

1982-01-01

The random element method is a generalization of the random vortex method that was developed for the numerical modeling of momentum transport processes as expressed in terms of the Navier-Stokes equations. The method is based on the concept that random walk, as exemplified by Brownian motion, is the stochastic manifestation of diffusional processes. The algorithm based on this method is grid-free and does not require the diffusion equation to be discritized over a mesh, it is thus devoid of numerical diffusion associated with finite difference methods. Moreover, the algorithm is self-adaptive in space and explicit in time, resulting in an improved numerical resolution of gradients as well as a simple and efficient computational procedure. The method is applied here to an assortment of problems of diffusion of momentum and energy in one-dimension as well as heat conduction in two-dimensions in order to assess its validity and accuracy. The numerical solutions obtained are found to be in good agreement with exact solution except for a statistical error introduced by using a finite number of elements, the error can be reduced by increasing the number of elements or by using ensemble averaging over a number of solutions.

Deterministic diffusion in flower-shaped billiards.

PubMed

Harayama, Takahisa; Klages, Rainer; Gaspard, Pierre

2002-08-01

We propose a flower-shaped billiard in order to study the irregular parameter dependence of chaotic normal diffusion. Our model is an open system consisting of periodically distributed obstacles in the shape of a flower, and it is strongly chaotic for almost all parameter values. We compute the parameter dependent diffusion coefficient of this model from computer simulations and analyze its functional form using different schemes, all generalizing the simple random walk approximation of Machta and Zwanzig. The improved methods we use are based either on heuristic higher-order corrections to the simple random walk model, on lattice gas simulation methods, or they start from a suitable Green-Kubo formula for diffusion. We show that dynamical correlations, or memory effects, are of crucial importance in reproducing the precise parameter dependence of the diffusion coefficent.

Diffusion in the presence of a local attracting factor: Theory and interdisciplinary applications.

PubMed

Veermäe, Hardi; Patriarca, Marco

2017-06-01

In many complex diffusion processes the drift of random walkers is not caused by an external force, as in the case of Brownian motion, but by local variations of fitness perceived by the random walkers. In this paper, a simple but general framework is presented that describes such a type of random motion and may be of relevance in different problems, such as opinion dynamics, cultural spreading, and animal movement. To this aim, we study the problem of a random walker in d dimensions moving in the presence of a local heterogeneous attracting factor expressed in terms of an assigned position-dependent "attractiveness function." At variance with standard Brownian motion, the attractiveness function introduced here regulates both the advection and diffusion of the random walker, thus providing testable predictions for a specific form of fluctuation-relations. We discuss the relation between the drift-diffusion equation based on the attractiveness function and that describing standard Brownian motion, and we provide some explicit examples illustrating its relevance in different fields, such as animal movement, chemotactic diffusion, and social dynamics.

Diffusion in the presence of a local attracting factor: Theory and interdisciplinary applications

NASA Astrophysics Data System (ADS)

Veermäe, Hardi; Patriarca, Marco

2017-06-01

In many complex diffusion processes the drift of random walkers is not caused by an external force, as in the case of Brownian motion, but by local variations of fitness perceived by the random walkers. In this paper, a simple but general framework is presented that describes such a type of random motion and may be of relevance in different problems, such as opinion dynamics, cultural spreading, and animal movement. To this aim, we study the problem of a random walker in d dimensions moving in the presence of a local heterogeneous attracting factor expressed in terms of an assigned position-dependent "attractiveness function." At variance with standard Brownian motion, the attractiveness function introduced here regulates both the advection and diffusion of the random walker, thus providing testable predictions for a specific form of fluctuation-relations. We discuss the relation between the drift-diffusion equation based on the attractiveness function and that describing standard Brownian motion, and we provide some explicit examples illustrating its relevance in different fields, such as animal movement, chemotactic diffusion, and social dynamics.

Reaction Rate of Small Diffusing Molecules on a Cylindrical Membrane

NASA Astrophysics Data System (ADS)

Straube, Ronny; Ward, Michael J.; Falcke, Martin

2007-10-01

Biomembranes consist of a lipid bi-layer into which proteins are embedded to fulfill numerous tasks in localized regions of the membrane. Often, the proteins have to reach these regions by simple diffusion. Motivated by the observation that IP3 receptor channels (IP3R) form clusters on the surface of the endoplasmic reticulum (ER) during ATP-induced calcium release, the reaction rate of small diffusing molecules on a cylindrical membrane is calculated based on the Smoluchowski approach. In this way, the cylindrical topology of the tubular ER is explicitly taken into account. The problem can be reduced to the solution of the diffusion equation on a finite cylindrical surface containing a small absorbing hole. The solution is constructed by matching appropriate `inner' and `outer' asymptotic expansions. The asymptotic results are compared with those from numerical simulations and excellent agreement is obtained. For realistic parameter sets, we find reaction rates in the range of experimentally measured clustering rates of IP3R. This supports the idea that clusters are formed by a purely diffusion limited process.

Diffusive shock acceleration - Acceleration rate, magnetic-field direction and the diffusion limit

NASA Technical Reports Server (NTRS)

Jokipii, J. R.

1992-01-01

This paper reviews the concept of diffusive shock acceleration, showing that the acceleration of charged particles at a collisionless shock is a straightforward consequence of the standard cosmic-ray transport equation, provided that one treats the discontinuity at the shock correctly. This is true for arbitrary direction of the upstream magnetic field. Within this framework, it is shown that acceleration at perpendicular or quasi-perpendicular shocks is generally much faster than for parallel shocks. Paradoxically, it follows also that, for a simple scattering law, the acceleration is faster for less scattering or larger mean free path. Obviously, the mean free path can not become too large or the diffusion limit becomes inapplicable. Gradient and curvature drifts caused by the magnetic-field change at the shock play a major role in the acceleration process in most cases. Recent observations of the charge state of the anomalous component are shown to require the faster acceleration at the quasi-perpendicular solar-wind termination shock.

Increased Accuracy of Ligand Sensing by Receptor Internalization and Lateral Receptor Diffusion

NASA Astrophysics Data System (ADS)

Aquino, Gerardo; Endres, Robert

2010-03-01

Many types of cells can sense external ligand concentrations with cell-surface receptors at extremely high accuracy. Interestingly, ligand-bound receptors are often internalized, a process also known as receptor-mediated endocytosis. While internalization is involved in a vast number of important functions for the life of a cell, it was recently also suggested to increase the accuracy of sensing ligand as overcounting of the same ligand molecules is reduced. A similar role may be played by receptor diffusion om the cell membrane. Fast, lateral receptor diffusion is known to be relevant in neurotransmission initiated by release of neurotransmitter glutamate in the synaptic cleft between neurons. By binding ligand and removal by diffusion from the region of release of the neurotransmitter, diffusing receptors can be reasonably expected to reduce the local overcounting of the same ligand molecules in the region of signaling. By extending simple ligand-receptor models to out-of-equilibrium thermodynamics, we show that both receptor internalization and lateral diffusion increase the accuracy with which cells can measure ligand concentrations in the external environment. We confirm this with our model and give quantitative predictions for experimental parameters values. We give quantitative predictions, which compare favorably to experimental data of real receptors.

Numerical schemes for anomalous diffusion of single-phase fluids in porous media

NASA Astrophysics Data System (ADS)

Awotunde, Abeeb A.; Ghanam, Ryad A.; Al-Homidan, Suliman S.; Tatar, Nasser-eddine

2016-10-01

Simulation of fluid flow in porous media is an indispensable part of oil and gas reservoir management. Accurate prediction of reservoir performance and profitability of investment rely on our ability to model the flow behavior of reservoir fluids. Over the years, numerical reservoir simulation models have been based mainly on solutions to the normal diffusion of fluids in the porous reservoir. Recently, however, it has been documented that fluid flow in porous media does not always follow strictly the normal diffusion process. Small deviations from normal diffusion, called anomalous diffusion, have been reported in some experimental studies. Such deviations can be caused by different factors such as the viscous state of the fluid, the fractal nature of the porous media and the pressure pulse in the system. In this work, we present explicit and implicit numerical solutions to the anomalous diffusion of single-phase fluids in heterogeneous reservoirs. An analytical solution is used to validate the numerical solution to the simple homogeneous case. The conventional wellbore flow model is modified to account for anomalous behavior. Example applications are used to show the behavior of wellbore and wellblock pressures during the single-phase anomalous flow of fluids in the reservoirs considered.

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.

A Simple Experiment for Visualizing Diffusion

ERIC Educational Resources Information Center

Helseth, L. E.

2011-01-01

We propose a simple and fascinating experiment for studying diffusion in gels using a pH-sensitive dye. By doping agar with methyl red, we obtain a gel which rapidly reacts to changes in pH by changing its absorption spectrum. The pH gradients can be followed using a digital camera, and we demonstrate here that the pH-sensitive colour changes can…

A comparison of Fick and Maxwell-Stefan diffusion formulations in PEMFC gas diffusion layers

NASA Astrophysics Data System (ADS)

Lindstrom, Michael; Wetton, Brian

2017-01-01

This paper explores the mathematical formulations of Fick and Maxwell-Stefan diffusion in the context of polymer electrolyte membrane fuel cell cathode gas diffusion layers. The simple Fick law with a diagonal diffusion matrix is an approximation of Maxwell-Stefan. Formulations of diffusion combined with mass-averaged Darcy flow are considered for three component gases. For this application, the formulations can be compared computationally in a simple, one dimensional setting. Despite the models' seemingly different structure, it is observed that the predictions of the formulations are very similar on the cathode when air is used as oxidant. The two formulations give quite different results when the Nitrogen in the air oxidant is replaced by helium (this is often done as a diagnostic for fuel cells designs). The two formulations also give quite different results for the anode with a dilute Hydrogen stream. These results give direction to when Maxwell-Stefan diffusion, which is more complicated to implement computationally in many codes, should be used in fuel cell simulations.

A Diffusion Approximation Based on Renewal Processes with Applications to Strongly Biased Run-Tumble Motion.

PubMed

Thygesen, Uffe Høgsbro

2016-03-01

We consider organisms which use a renewal strategy such as run-tumble when moving in space, for example to perform chemotaxis in chemical gradients. We derive a diffusion approximation for the motion, applying a central limit theorem due to Anscombe for renewal-reward processes; this theorem has not previously been applied in this context. Our results extend previous work, which has established the mean drift but not the diffusivity. For a classical model of tumble rates applied to chemotaxis, we find that the resulting chemotactic drift saturates to the swimming velocity of the organism when the chemical gradients grow increasingly steep. The dispersal becomes anisotropic in steep gradients, with larger dispersal across the gradient than along the gradient. In contrast to one-dimensional settings, strong bias increases dispersal. We next include Brownian rotation in the model and find that, in limit of high chemotactic sensitivity, the chemotactic drift is 64% of the swimming velocity, independent of the magnitude of the Brownian rotation. We finally derive characteristic timescales of the motion that can be used to assess whether the diffusion limit is justified in a given situation. The proposed technique for obtaining diffusion approximations is conceptually and computationally simple, and applicable also when statistics of the motion is obtained empirically or through Monte Carlo simulation of the motion.

A Simple Noise Correction Scheme for Diffusional Kurtosis Imaging

PubMed Central

Glenn, G. Russell; Tabesh, Ali; Jensen, Jens H.

2014-01-01

Purpose Diffusional kurtosis imaging (DKI) is sensitive to the effects of signal noise due to strong diffusion weightings and higher order modeling of the diffusion weighted signal. A simple noise correction scheme is proposed to remove the majority of the noise bias in the estimated diffusional kurtosis. Methods Weighted linear least squares (WLLS) fitting together with a voxel-wise, subtraction-based noise correction from multiple, independent acquisitions are employed to reduce noise bias in DKI data. The method is validated in phantom experiments and demonstrated for in vivo human brain for DKI-derived parameter estimates. Results As long as the signal-to-noise ratio (SNR) for the most heavily diffusion weighted images is greater than 2.1, errors in phantom diffusional kurtosis estimates are found to be less than 5 percent with noise correction, but as high as 44 percent for uncorrected estimates. In human brain, noise correction is also shown to improve diffusional kurtosis estimates derived from measurements made with low SNR. Conclusion The proposed correction technique removes the majority of noise bias from diffusional kurtosis estimates in noisy phantom data and is applicable to DKI of human brain. Features of the method include computational simplicity and ease of integration into standard WLLS DKI post-processing algorithms. PMID:25172990

Diffusion of Salt in Tap Water

ERIC Educational Resources Information Center

Booth, C.; And Others

1978-01-01

A simple experiment is described to measure the diffusion coefficient of a solute in a fluid. Laboratory-made floats are used to monitor the density changes associated with diffusion behavior. The experiment is ideally suited for undergraduate project work. (BB)

Interplay between translational diffusion and large-amplitude angular jumps of water molecules

NASA Astrophysics Data System (ADS)

Liu, Chao; Zhang, Yangyang; Zhang, Jian; Wang, Jun; Li, Wenfei; Wang, Wei

2018-05-01

Understanding the microscopic mechanism of water molecular translational diffusion is a challenging topic in both physics and chemistry. Here, we report an investigation on the interplay between the translational diffusion and the large-amplitude angular jumps of water molecules in bulk water using molecular dynamics simulations. We found that large-amplitude angular jumps are tightly coupled to the translational diffusions. Particularly, we revealed that concurrent rotational jumps of spatially neighboring water molecules induce inter-basin translational jumps, which contributes to the fast component of the water translational diffusion. Consequently, the translational diffusion shows positional heterogeneity; i.e., the neighbors of the water molecules with inter-basin translational jumps have larger probability to diffuse by inter-basin translational jumps. Our control simulations showed that a model water molecule with moderate hydrogen bond strength can diffuse much faster than a simple Lennard-Jones particle in bulk water due to the capability of disturbing the hydrogen bond network of the surrounding water molecules. Our results added to the understanding of the microscopic picture of the water translational diffusion and demonstrated the unique features of water diffusion arising from their hydrogen bond network structure compared with those of the simple liquids.

Magnetic field reconnection. [energy conversion in space plasma

NASA Technical Reports Server (NTRS)

Sonnerup, U. O.

1979-01-01

A reasonably detailed description is obtained of the current status of our understanding of magnetic field reconnection. The picture that emerges is of a process, simple in concept but extremely complicated and multifaceted in detail. Nonlinear MHD processes in the external flow region, governed by distant boundary conditions, are coupled to nonlinear microscopic plasma processes in the diffusion region, in a manner not clearly understood. It appears that reconnection may operate in entirely different ways for different plasma parameters and different external boundary conditions. Steady reconnection may be allowed in some cases, forbidden in others, with intermediate situations involving impulsive or pulsative events.

Process for recovering uranium from waste hydrocarbon oils containing the same. [Uranium contaminated lubricating oils from gaseous diffusion compressors

DOEpatents

Conrad, M.C.; Getz, P.A.; Hickman, J.E.; Payne, L.D.

1982-06-29

The invention is a process for the recovery of uranium from uranium-bearing hydrocarbon oils containing carboxylic acid as a degradation product. In one aspect, the invention comprises providing an emulsion of water and the oil, heating the same to a temperature effecting conversion of the emulsion to an organic phase and to an acidic aqueous phase containing uranium carboxylate, and recovering the uranium from the aqueous phase. The process is effective, simple and comparatively inexpensive. It avoids the use of toxic reagents and the formation of undesirable intermediates.

Promoting protein crystallization using a plate with simple geometry.

PubMed

Chen, Rui-Qing; Yin, Da-Chuan; Liu, Yong-Ming; Lu, Qin-Qin; He, Jin; Liu, Yue

2014-03-01

Increasing the probability of obtaining protein crystals in crystallization screening is always an important goal for protein crystallography. In this paper, a new method called the cross-diffusion microbatch (CDM) method is presented, which aims to efficiently promote protein crystallization and increase the chance of obtaining protein crystals. In this method, a very simple crystallization plate was designed in which all crystallization droplets are in one sealed space, so that a variety of volatile components from one droplet can diffuse into any other droplet via vapour diffusion. Crystallization screening and reproducibility tests indicate that this method could be a potentially powerful technique in practical protein crystallization screening. It can help to obtain crystals with higher probability and at a lower cost, while using a simple and easy procedure.

Confinement regulates complex biochemical networks: initiation of blood clotting by "diffusion acting".

PubMed

Shen, Feng; Pompano, Rebecca R; Kastrup, Christian J; Ismagilov, Rustem F

2009-10-21

This study shows that environmental confinement strongly affects the activation of nonlinear reaction networks, such as blood coagulation (clotting), by small quantities of activators. Blood coagulation is sensitive to the local concentration of soluble activators, initiating only when the activators surpass a threshold concentration, and therefore is regulated by mass transport phenomena such as flow and diffusion. Here, diffusion was limited by decreasing the size of microfluidic chambers, and it was found that microparticles carrying either the classical stimulus, tissue factor, or a bacterial stimulus, Bacillus cereus, initiated coagulation of human platelet-poor plasma only when confined. A simple analytical argument and numerical model were used to describe the mechanism for this phenomenon: confinement causes diffusible activators to accumulate locally and surpass the threshold concentration. To interpret the results, a dimensionless confinement number, Cn, was used to describe whether a stimulus was confined, and a Damköhler number, Da(2), was used to describe whether a subthreshold stimulus could initiate coagulation. In the context of initiation of coagulation by bacteria, this mechanism can be thought of as "diffusion acting", which is distinct from "diffusion sensing". The ability of confinement and diffusion acting to change the outcome of coagulation suggests that confinement should also regulate other biological "on" and "off" processes that are controlled by thresholds.

A Physical Mechanism for the Asymmetry in Top-Down and Bottom-Up Diffusion.

NASA Astrophysics Data System (ADS)

Wyngaard, J. C.

1987-04-01

Recent large-eddy simulations of the vertical diffusion of a passive, conservative scalar through the convective boundary layer (CBL) show strikingly different eddy diffusivity profiles in the `top-down' and `bottom-up' cases. These results indicate that for a given turbulent velocity field and associated scalar flux, the mean change in scalar mixing ratio across the CBL is several times larger if the flux originates at the top of the boundary layer (i.e., in top-down diffusion) rather than at the bottom. The large-eddy simulation (LES) data show that this asymmetry is due to a breakdown of the eddy-diffusion concept.A simple updraft-downdraft model of the CBL reveals a physical mechanism that could cause this unexpected behavior. The large, positive skewness of the convectively driven vertical velocity gives an appreciably higher probability of downdrafts than updrafts; this excess probability of downdrafts, interacting with the time changes of the mean mixing ratio caused by the nonstationarity of the bottom-up and top-down diffusion processes, decreases the equilibrium value of mean mixing-ratio jump across the mixed layer in the bottom-up case and increases it in the top-down case. The resulting diffusion asymmetry agrees qualitatively with that found through LES.

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

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

Exploring the Dynamics of Cell Processes through Simulations of Fluorescence Microscopy Experiments

PubMed Central

Angiolini, Juan; Plachta, Nicolas; Mocskos, Esteban; Levi, Valeria

2015-01-01

Fluorescence correlation spectroscopy (FCS) methods are powerful tools for unveiling the dynamical organization of cells. For simple cases, such as molecules passively moving in a homogeneous media, FCS analysis yields analytical functions that can be fitted to the experimental data to recover the phenomenological rate parameters. Unfortunately, many dynamical processes in cells do not follow these simple models, and in many instances it is not possible to obtain an analytical function through a theoretical analysis of a more complex model. In such cases, experimental analysis can be combined with Monte Carlo simulations to aid in interpretation of the data. In response to this need, we developed a method called FERNET (Fluorescence Emission Recipes and Numerical routines Toolkit) based on Monte Carlo simulations and the MCell-Blender platform, which was designed to treat the reaction-diffusion problem under realistic scenarios. This method enables us to set complex geometries of the simulation space, distribute molecules among different compartments, and define interspecies reactions with selected kinetic constants, diffusion coefficients, and species brightness. We apply this method to simulate single- and multiple-point FCS, photon-counting histogram analysis, raster image correlation spectroscopy, and two-color fluorescence cross-correlation spectroscopy. We believe that this new program could be very useful for predicting and understanding the output of fluorescence microscopy experiments. PMID:26039162

Bioheat model evaluations of laser effects on tissues: role of water evaporation and diffusion

NASA Astrophysics Data System (ADS)

Nagulapally, Deepthi; Joshi, Ravi P.; Thomas, Robert J.

2011-03-01

A two-dimensional, time-dependent bioheat model is applied to evaluate changes in temperature and water content in tissues subjected to laser irradiation. Our approach takes account of liquid-to-vapor phase changes and a simple diffusive flow of water within the biotissue. An energy balance equation considers blood perfusion, metabolic heat generation, laser absorption, and water evaporation. The model also accounts for the water dependence of tissue properties (both thermal and optical), and variations in blood perfusion rates based on local tissue injury. Our calculations show that water diffusion would reduce the local temperature increases and hot spots in comparison to simple models that ignore the role of water in the overall thermal and mass transport. Also, the reduced suppression of perfusion rates due to tissue heating and damage with water diffusion affect the necrotic depth. Two-dimensional results for the dynamic temperature, water content, and damage distributions will be presented for skin simulations. It is argued that reduction in temperature gradients due to water diffusion would mitigate local refractive index variations, and hence influence the phenomenon of thermal lensing. Finally, simple quantitative evaluations of pressure increases within the tissue due to laser absorption are presented.

Evaluation of the ability of arsenic species to traverse cell membranes by simple diffusion using octanol-water and liposome-water partition coefficients.

PubMed

Chávez-Capilla, Teresa; Maher, William; Kelly, Tamsin; Foster, Simon

2016-11-01

Arsenic metabolism in living organisms is dependent on the ability of different arsenic species to traverse biological membranes. Simple diffusion provides an alternative influx and efflux route to mediated transport mechanisms that can increase the amount of arsenic available for metabolism in cells. Using octanol-water and liposome-water partition coefficients, the ability of arsenous acid, arsenate, methylarsonate, dimethylarsinate, thio-methylarsonate, thio-dimethylarsinic acid, arsenotriglutathione and monomethylarsonic diglutathione to diffuse through the lipid bilayer of cell membranes was investigated. Molecular modelling of arsenic species was used to explain the results. All arsenic species with the exception of arsenate, methylarsonate and thio-methylarsonate were able to diffuse through the lipid bilayer of liposomes, with liposome-water partition coefficients between 0.04 and 0.13. Trivalent arsenic species and thio-pentavalent arsenic species showed higher partition coefficients, suggesting that they can easily traverse cell membranes by passive simple diffusion. Given the higher toxicity of these species compared to oxo-pentavalent arsenic species, this study provides evidence supporting the risk associated with human exposure to trivalent and thio-arsenic species. Copyright © 2016. Published by Elsevier B.V.

Spatiotemporal pattern in somitogenesis: a non-Turing scenario with wave propagation.

PubMed

Nagahara, Hiroki; Ma, Yue; Takenaka, Yoshiko; Kageyama, Ryoichiro; Yoshikawa, Kenichi

2009-08-01

Living organisms maintain their lives under far-from-equilibrium conditions by creating a rich variety of spatiotemporal structures in a self-organized manner, such as temporal rhythms, switching phenomena, and development of the body. In this paper, we focus on the dynamical process of morphogens in somitogenesis in mice where propagation of the gene expression level plays an essential role in creating the spatially periodic patterns of the vertebral columns. We present a simple discrete reaction-diffusion model which includes neighboring interaction through an activator, but not diffusion of an inhibitor. We can produce stationary periodic patterns by introducing the effect of spatial discreteness to the field. Based on the present model, we discuss the underlying physical principles that are independent of the details of biomolecular reactions. We also discuss the framework of spatial discreteness based on the reaction-diffusion model in relation to a cellular array, by comparison with an actual experimental observation.

Nuclear quadrupole resonance lineshape analysis for different motional models: Stochastic Liouville approach

NASA Astrophysics Data System (ADS)

Kruk, D.; Earle, K. A.; Mielczarek, A.; Kubica, A.; Milewska, A.; Moscicki, J.

2011-12-01

A general theory of lineshapes in nuclear quadrupole resonance (NQR), based on the stochastic Liouville equation, is presented. The description is valid for arbitrary motional conditions (particularly beyond the valid range of perturbation approaches) and interaction strengths. It can be applied to the computation of NQR spectra for any spin quantum number and for any applied magnetic field. The treatment presented here is an adaptation of the "Swedish slow motion theory," [T. Nilsson and J. Kowalewski, J. Magn. Reson. 146, 345 (2000), 10.1006/jmre.2000.2125] originally formulated for paramagnetic systems, to NQR spectral analysis. The description is formulated for simple (Brownian) diffusion, free diffusion, and jump diffusion models. The two latter models account for molecular cooperativity effects in dense systems (such as liquids of high viscosity or molecular glasses). The sensitivity of NQR slow motion spectra to the mechanism of the motional processes modulating the nuclear quadrupole interaction is discussed.

Particle transport through hydrogels is charge asymmetric.

PubMed

Zhang, Xiaolu; Hansing, Johann; Netz, Roland R; DeRouchey, Jason E

2015-02-03

Transport processes within biological polymer networks, including mucus and the extracellular matrix, play an important role in the human body, where they serve as a filter for the exchange of molecules and nanoparticles. Such polymer networks are complex and heterogeneous hydrogel environments that regulate diffusive processes through finely tuned particle-network interactions. In this work, we present experimental and theoretical studies to examine the role of electrostatics on the basic mechanisms governing the diffusion of charged probe molecules inside model polymer networks. Translational diffusion coefficients are determined by fluorescence correlation spectroscopy measurements for probe molecules in uncharged as well as cationic and anionic polymer solutions. We show that particle transport in the charged hydrogels is highly asymmetric, with diffusion slowed down much more by electrostatic attraction than by repulsion, and that the filtering capability of the gel is sensitive to the solution ionic strength. Brownian dynamics simulations of a simple model are used to examine key parameters, including interaction strength and interaction range within the model networks. Simulations, which are in quantitative agreement with our experiments, reveal the charge asymmetry to be due to the sticking of particles at the vertices of the oppositely charged polymer networks. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Locating the source of spreading in temporal networks

NASA Astrophysics Data System (ADS)

Huang, Qiangjuan; Zhao, Chengli; Zhang, Xue; Yi, Dongyun

2017-02-01

The topological structure of many real networks changes with time. Thus, locating the sources of a temporal network is a creative and challenging problem, as the enormous size of many real networks makes it unfeasible to observe the state of all nodes. In this paper, we propose an algorithm to solve this problem, named the backward temporal diffusion process. The proposed algorithm calculates the shortest temporal distance to locate the transmission source. We assume that the spreading process can be modeled as a simple diffusion process and by consensus dynamics. To improve the location accuracy, we also adopt four strategies to select which nodes should be observed by ranking their importance in the temporal network. Our paper proposes a highly accurate method for locating the source in temporal networks and is, to the best of our knowledge, a frontier work in this field. Moreover, our framework has important significance for controlling the transmission of diseases or rumors and formulating immediate immunization strategies.

Emergent spatial synaptic structure from diffusive plasticity.

PubMed

Sweeney, Yann; Clopath, Claudia

2017-04-01

Some neurotransmitters can diffuse freely across cell membranes, influencing neighbouring neurons regardless of their synaptic coupling. This provides a means of neural communication, alternative to synaptic transmission, which can influence the way in which neural networks process information. Here, we ask whether diffusive neurotransmission can also influence the structure of synaptic connectivity in a network undergoing plasticity. We propose a form of Hebbian synaptic plasticity which is mediated by a diffusive neurotransmitter. Whenever a synapse is modified at an individual neuron through our proposed mechanism, similar but smaller modifications occur in synapses connecting to neighbouring neurons. The effects of this diffusive plasticity are explored in networks of rate-based neurons. This leads to the emergence of spatial structure in the synaptic connectivity of the network. We show that this spatial structure can coexist with other forms of structure in the synaptic connectivity, such as with groups of strongly interconnected neurons that form in response to correlated external drive. Finally, we explore diffusive plasticity in a simple feedforward network model of receptive field development. We show that, as widely observed across sensory cortex, the preferred stimulus identity of neurons in our network become spatially correlated due to diffusion. Our proposed mechanism of diffusive plasticity provides an efficient mechanism for generating these spatial correlations in stimulus preference which can flexibly interact with other forms of synaptic organisation. © 2016 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

Diffusion of a new intermediate product in a simple 'classical-Schumpeterian' model.

PubMed

Haas, David

2018-05-01

This paper deals with the problem of new intermediate products within a simple model, where production is circular and goods enter into the production of other goods. It studies the process by which the new good is absorbed into the economy and the structural transformation that goes with it. By means of a long-period method the forces of structural transformation are examined, in particular the shift of existing means of production towards the innovation and the mechanism of differential growth in terms of alternative techniques and their associated systems of production. We treat two important Schumpeterian topics: the question of technological unemployment and the problem of 'forced saving' and the related problem of an involuntary reduction of real consumption per capita. It is shown that both phenomena are potential by-products of the transformation process.

Suppression of Soot Formation and Shapes of Laminar Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

The flashing Brownian ratchet and Parrondo's paradox.

PubMed

Ethier, S N; Lee, Jiyeon

2018-01-01

A Brownian ratchet is a one-dimensional diffusion process that drifts towards a minimum of a periodic asymmetric sawtooth potential. A flashing Brownian ratchet is a process that alternates between two regimes, a one-dimensional Brownian motion and a Brownian ratchet, producing directed motion. These processes have been of interest to physicists and biologists for nearly 25 years. The flashing Brownian ratchet is the process that motivated Parrondo's paradox, in which two fair games of chance, when alternated, produce a winning game. Parrondo's games are relatively simple, being discrete in time and space. The flashing Brownian ratchet is rather more complicated. We show how one can study the latter process numerically using a random walk approximation.

Diffusion coefficients of water in biobased hydrogel polymer matrices by nuclear magnetic resonance imaging

USDA-ARS?s Scientific Manuscript database

The diffusion coefficient of water in biobased hydrogels were measured utilizing a simple NMR method. This method tracks the migration of deuterium oxide through imaging data that is fit to a diffusion equation. The results show that a 5 wt% soybean oil based hydrogel gives aqueous diffusion of 1.37...

Mass Transfer and Rheology of Fiber Suspensions

NASA Astrophysics Data System (ADS)

Wang, Jianghui

Rheological and mass transfer properties of non-Brownian fiber suspensions are affected by fiber characteristics, fiber interactions, and processing conditions. In this thesis we develop several simulation methods to study the dynamics of single fibers in simple shear flow, as well as the rheology and mass transfer of fiber suspensions. Isolated, rigid, neutrally-buoyant, non-Brownian, slightly curved, nonchiral fibers in simple shear flow of an incompressible Newtonian fluid at low Reynolds number can drift steadily in the gradient direction without external forces or torques. The average drift velocity and direction depend on the fiber aspect ratio, curvature and initial orientation. The drift results from the coupling of rotational and translational dynamics, and the combined effects of flipping, scooping, and spinning motions of the fiber. Irreversible fiber collisions in the suspensions cause shear-induced diffusion. The shear-induced self-diffusivity of dilute suspensions of fibers increases with increasing concentration and increasing static friction between contacts. The diffusivities in both the gradient and vorticity directions are larger for suspensions of curved fibers than for suspensions of straight fibers. For suspensions of curved fibers, significant enhancements in the diffusivity in the gradient direction are attributed to fiber drift in the gradient direction. The shear-induced self-diffusivity of concentrated suspensions of fibers increases with increasing concentration before fiber networks or flocs are formed, after which the diffusivity decreases with increasing concentration. The diffusivity increases with increasing fiber equilibrium bending angle, effective stiffness, coefficient of static friction, and rate of collisions. The specific viscosity of fiber suspensions increases with increasing fiber curvature, friction coefficient between mechanical contacts, and solids concentration. The specific viscosity increases linearly with concentration in the dilute regime, and increases with the cube of the concentration in the semi-dilute regime. Concentrated fiber suspensions are highly viscous, shear thinning, and exhibit significant yield stresses and normal stress differences. Yield stresses scale with volume concentration and fiber aspect ratio in the same way as that observed in experiments. The first normal stress difference increases linearly with shear rate. The shear-induced diffusivity increases linearly with the derivative of the particle contribution to stress for dilute suspensions with respective to concentration. This correlation between rheology and shear-induced diffusion makes it possible to predict diffusivity from easily measured rheological properties.

Sub-seafloor Processes and the Composition of Diffuse Hydrothermal Fluids

NASA Astrophysics Data System (ADS)

Butterfield, D. A.; Lilley, M. D.; Huber, J. A.; Baross, J. A.

2002-12-01

High-temperature water/rock reactions create the primary hydrothermal fluids that are diluted with cool, "crustal seawater" to produce low-temperature, diffuse hydrothermal vent fluids. By knowing the composition of each of the components that combine to produce diffuse fluids, one can compare the composition of calculated mixtures with the composition of sampled fluids, and thereby infer what chemical constituents have been affected by processes other than simple conservative mixing. Although there is always uncertainty in the composition of fluids from the sub-seafloor, some processes are significant enough to alter diffuse fluid compositions from the expected conservative mixtures of hot,primary fluid and "crustal seawater." When hydrothermal vents with a wide range of temperature are sampled, processes occurring in different thermal and chemical environments potentially can be discerned. At Axial Volcano (AV) on the Juan de Fuca ridge, methane clearly is produced in warm sub-seafloor environments at temperatures of ~ 100° or less. Based on culturing and phylogenetic analysis from the same water samples at AV, hyperthermophilic methanogens are present in water samples taken from vents ranging in temperature from 15 to 78° C. Ratios of hydrogen sulfide to pseudo-conservative tracers (dissolved silica or heat) at AV decrease when primary fluids are highly diluted with oxygenated seawater. Phylogenetic signatures of microbes closely related to sulfide-oxidizers are present in these same fluids. Hydrogen sulfide oxidation represents the dominant source of energy for chemosynthesis at AV, as in most hydrothermal systems, but a relatively small proportion of the total hydrogen sulfide available is actually oxidized, except at the very lowest temperatures.

On extreme points of the diffusion polytope

DOE PAGES

Hay, M. J.; Schiff, J.; Fisch, N. J.

2017-01-04

Here, we consider a class of diffusion problems defined on simple graphs in which the populations at any two vertices may be averaged if they are connected by an edge. The diffusion polytope is the convex hull of the set of population vectors attainable using finite sequences of these operations. A number of physical problems have linear programming solutions taking the diffusion polytope as the feasible region, e.g. the free energy that can be removed from plasma using waves, so there is a need to describe and enumerate its extreme points. We also review known results for the case ofmore » the complete graph Kn, and study a variety of problems for the path graph Pn and the cyclic graph Cn. Finall, we describe the different kinds of extreme points that arise, and identify the diffusion polytope in a number of simple cases. In the case of increasing initial populations on Pn the diffusion polytope is topologically an n-dimensional hypercube.« less

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

Garcia, Andres

Transport and reaction in zeolites and other porous materials, such as mesoporous silica particles, has been a focus of interest in recent years. This is in part due to the possibility of anomalous transport effects (e.g. single-file diffusion) and its impact in the reaction yield in catalytic processes. Computational simulations are often used to study these complex nonequilibrium systems. Computer simulations using Molecular Dynamics (MD) techniques are prohibitive, so instead coarse grained one-dimensional models with the aid of Kinetic Monte Carlo (KMC) simulations are used. Both techniques can be computationally expensive, both time and resource wise. These coarse-grained systems canmore » be exactly described by a set of coupled stochastic master equations, that describe the reaction-diffusion kinetics of the system. The equations can be written exactly, however, coupling between the equations and terms within the equations make it impossible to solve them exactly; approximations must be made. One of the most common methods to obtain approximate solutions is to use Mean Field (MF) theory. MF treatments yield reasonable results at high ratios of reaction rate k to hop rate h of the particles, but fail completely at low k=h due to the over-estimation of fluxes of particles within the pore. We develop a method to estimate fluxes and intrapore diffusivity in simple one- dimensional reaction-diffusion models at high and low k=h, where the pores are coupled to an equilibrated three-dimensional fluid. We thus successfully describe analytically these simple reaction-diffusion one-dimensional systems. Extensions to models considering behavior with long range steric interactions and wider pores require determination of multiple boundary conditions. We give a prescription to estimate the required parameters for these simulations. For one dimensional systems, if single-file diffusion is relaxed, additional parameters to describe particle exchange have to be introduced. We use Langevin Molecular Dynamics (MD) simulations to assess these parameters.« less

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

NASA Astrophysics Data System (ADS)

Leahy, Brian; Koch, Donald; Cohen, Itai

2014-11-01

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

Flame Shapes of Luminous NonBuoyant Laminar Coflowing Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

Lin, K.-C.; Faeth, G. M.

1999-01-01

Laminar diffusion flames are of interest as model flame systems that are more tractable for analysis and experiments than practical turbulent diffusion flames. Certainly understanding laminar flames must precede understanding more complex turbulent flames while man'y laminar diffusion flame properties are directly relevant to turbulent diffusion flames using laminar flamelet concepts. Laminar diffusion flame shapes have been of interest since the classical study of Burke and Schumann because they involve a simple nonintrusive measurement that is convenient for evaluating flame structure predictions. Motivated by these observations, the shapes of laminar flames were considered during the present investigation. The present study was limited to nonbuoyant flames because most practical flames are not buoyant. Effects of buoyancy were minimized by observing flames having large flow velocities at small pressures. Present methods were based on the study of the shapes of nonbu,3yant round laminar jet diffusion flames of Lin et al. where it was found that a simple analysis due to Spalding yielded good predictions of the flame shapes reported by Urban et al. and Sunderland et al.

Novel nanometer-level uniform amorphous carbon coating for boron powders by direct pyrolysis of coronene without solvent.

PubMed

Ye, ShuJun; Song, MingHui; Kumakura, Hiroaki

2015-01-30

A 3 nm coronene coating and a 4 nm amorphous carbon coating with a uniform shell-core encapsulation structure for nanosized boron (B) powders are formed by a simple process in which coronene is directly mixed with boron particles without a solvent and heated at 520 °C for 1 h or at 630 °C for 3 h in a vacuum-sealed silica tube. Coronene has a melting point lower than its decomposition temperature, which enables liquid coronene to cover B particles by liquid diffusion and penetration without the need for a solvent. The diffusion and penetration of coronene can extend to the boundaries of particles and to inside the agglomerated nanoparticles to form a complete shell-core encapsulated structure. As the temperature is increased, thermal decomposition of coronene on the B particles results in the formation of a uniform amorphous carbon coating layer. This novel and simple nanometer-level uniform amorphous carbon coating method can possibly be applied to many other powders; thus, it has potential applications in many fields at low cost.

Diffusion of Super-Gaussian Profiles

ERIC Educational Resources Information Center

Rosenberg, C.-J.; Anderson, D.; Desaix, M.; Johannisson, P.; Lisak, M.

2007-01-01

The present analysis describes an analytically simple and systematic approximation procedure for modelling the free diffusive spreading of initially super-Gaussian profiles. The approach is based on a self-similar ansatz for the evolution of the diffusion profile, and the parameter functions involved in the modelling are determined by suitable…

A Physics-Based Engineering Approach to Predict the Cross Section for Advanced SRAMs

NASA Astrophysics Data System (ADS)

Li, Lei; Zhou, Wanting; Liu, Huihua

2012-12-01

This paper presents a physics-based engineering approach to estimate the heavy ion induced upset cross section for 6T SRAM cells from layout and technology parameters. The new approach calculates the effects of radiation with junction photocurrent, which is derived based on device physics. The new and simple approach handles the problem by using simple SPICE simulations. At first, the approach uses a standard SPICE program on a typical PC to predict the SPICE-simulated curve of the collected charge vs. its affected distance from the drain-body junction with the derived junction photocurrent. And then, the SPICE-simulated curve is used to calculate the heavy ion induced upset cross section with a simple model, which considers that the SEU cross section of a SRAM cell is more related to a “radius of influence” around a heavy ion strike than to the physical size of a diffusion node in the layout for advanced SRAMs in nano-scale process technologies. The calculated upset cross section based on this method is in good agreement with the test results for 6T SRAM cells processed using 90 nm process technology.

Simple Fabrication of Gd(III)-DTPA-Nanodiamond Particles by Chemical Modification for Use as Magnetic Resonance Imaging (MRI) Contrast Agent

NASA Astrophysics Data System (ADS)

Nakamura, Takako; Ohana, Tsuguyori; Yabuno, Hajime; Kasai, Rumiko; Suzuki, Tetsuya; Hasebe, Terumitsu

2013-01-01

We have developed a simple and useful process for fabricating nanodiamond (ND) particles modified with an organogadolinium moiety by chemical modification for their use as a magnetic resonance imaging (MRI) contrast agent. The introduction of the organogadolinium moiety on the surface of the ND particles was performed by the condensation of ND and diethylenetriaminepentaacetic acid (DTPA) followed by treatment with GdCl3. The modified surfaces were evaluated by X-ray photoelectron spectroscopy, diffuse reflectance Fourier transform infrared spectroscopy, mass spectroscopy, and inductively coupled plasma atomic emission spectroscopy analyses. MRI experiments on the Gd-DTPA-ND particles indicated their high signal intensity on T1-weighted images.

Computer simulation of stochastic processes through model-sampling (Monte Carlo) techniques.

PubMed

Sheppard, C W.

1969-03-01

A simple Monte Carlo simulation program is outlined which can be used for the investigation of random-walk problems, for example in diffusion, or the movement of tracers in the blood circulation. The results given by the simulation are compared with those predicted by well-established theory, and it is shown how the model can be expanded to deal with drift, and with reflexion from or adsorption at a boundary.

The Kinetics of Dissolution Revisited

NASA Astrophysics Data System (ADS)

Antonel, Paula S.; Hoijemberg, Pablo A.; Maiante, Leandro M.; Lagorio, M. Gabriela

2003-09-01

An experiment analyzing the kinetics of dissolution of a solid with cylindrical geometry in water is presented. The dissolution process is followed by measuring the solid mass and its size parameters (thickness and diameter) as a function of time. It is verified that the dissolution rate follows the Nernst model. Data treatment is compared with the dissolution of a spherical solid previously described. Kinetics, diffusion concepts, and polynomial fitting of experimental data are combined in this simple experiment.

From Random Walks to Brownian Motion, from Diffusion to Entropy: Statistical Principles in Introductory Physics

NASA Astrophysics Data System (ADS)

Reeves, Mark

2014-03-01

Entropy changes underlie the physics that dominates biological interactions. Indeed, introductory biology courses often begin with an exploration of the qualities of water that are important to living systems. However, one idea that is not explicitly addressed in most introductory physics or biology textbooks is dominant contribution of the entropy in driving important biological processes towards equilibrium. From diffusion to cell-membrane formation, to electrostatic binding in protein folding, to the functioning of nerve cells, entropic effects often act to counterbalance deterministic forces such as electrostatic attraction and in so doing, allow for effective molecular signaling. A small group of biology, biophysics and computer science faculty have worked together for the past five years to develop curricular modules (based on SCALEUP pedagogy) that enable students to create models of stochastic and deterministic processes. Our students are first-year engineering and science students in the calculus-based physics course and they are not expected to know biology beyond the high-school level. In our class, they learn to reduce seemingly complex biological processes and structures to be described by tractable models that include deterministic processes and simple probabilistic inference. The students test these models in simulations and in laboratory experiments that are biologically relevant. The students are challenged to bridge the gap between statistical parameterization of their data (mean and standard deviation) and simple model-building by inference. This allows the students to quantitatively describe realistic cellular processes such as diffusion, ionic transport, and ligand-receptor binding. Moreover, the students confront ``random'' forces and traditional forces in problems, simulations, and in laboratory exploration throughout the year-long course as they move from traditional kinematics through thermodynamics to electrostatic interactions. This talk will present a number of these exercises, with particular focus on the hands-on experiments done by the students, and will give examples of the tangible material that our students work with throughout the two-semester sequence of their course on introductory physics with a bio focus. Supported by NSF DUE.

Avian Egg Latebra as Brain Tissue Water Diffusion Model

PubMed Central

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

2013-01-01

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

LETTER TO THE EDITOR: Fractal diffusion coefficient from dynamical zeta functions

NASA Astrophysics Data System (ADS)

Cristadoro, Giampaolo

2006-03-01

Dynamical zeta functions provide a powerful method to analyse low-dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand, even simple one-dimensional maps can show an intricate structure of the grammar rules that may lead to a non-smooth dependence of global observables on parameters changes. A paradigmatic example is the fractal diffusion coefficient arising in a simple piecewise linear one-dimensional map of the real line. Using the Baladi-Ruelle generalization of the Milnor-Thurnston kneading determinant, we provide the exact dynamical zeta function for such a map and compute the diffusion coefficient from its smallest zero.

Encapsulation of Volatile Citronella Essential Oil by Coacervation: Efficiency and Release Study

NASA Astrophysics Data System (ADS)

Manaf, M. A.; Subuki, I.; Jai, J.; Raslan, R.; Mustapa, A. N.

2018-05-01

The volatile citronella essential oil was encapsulated by simple coacervation and complex coacervation using Arabic gum and gelatin as wall material. Glutaraldehyde was used in the methodology as crosslinking agent. The citronella standard calibration graph obtained with R2 of 0.9523 was used for the accurate determination of encapsulation efficiency and release study. The release kinetic was analysed based on Fick"s law of diffusion for polymeric system and linear graph of Log fraction release over Log time was constructed to determine the release rate constant, k and diffusion coefficient, n. Both coacervation methods in the present study produce encapsulation efficiency around 94%. The produced capsules for both coacervation processes were discussed based on the capsules morphology and release kinetic mechanisms.

The Controversial Role of Inter-diffusion in Glass Alteration

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

Gin, Stephane; Neill, Lindsay; Fournier, M.

2016-11-15

Current kinetic models for nuclear waste glasses (e.g. GM2001, GRAAL) are based on a set of mechanisms that have been generally agreed upon within the international waste glass community. These mechanisms are: hydration of the glass, ion exchange reactions (the two processes are referred as inter-diffusion), hydrolysis of the silicate network, and condensation/precipitation of partly or completely hydrolyzed species that produces a porous and amorphous layer and crystalline phases on surface of the altered glass. Recently, a new idea with origins in the mineral dissolution community has been proposed that excludes inter-diffusion process as a potential rate-limiting mechanism. To understandmore » how the so-called interfacial dissolution/precipitation model can change the current understanding of glass behavior, a key experiment used to account for this model was replicated to further revisit the interpretation. This experiment was performed at 50°C, with SON68 glass, in static mode, deionized water and S/V ratio of 10 m-1 for 6 months. It turn out that glass alters in an intermediate kinetic regime between the forward and the residual rate. According to previous and new solid characterizations, it is concluded that neither a simple inter-diffusion model nor the interfacial dissolution precipitation model can account for the observed elemental profiles within the alteration layer. More generally, far and close-to-saturation conditions must be distinguished and literature provides evidences that inter-diffusion takes place in slightly acidic conditions and far from saturation. However, closer to saturation, when a sufficiently dense layer is formed, a new approach is proposed requiring a full description of chemical reactions taking place within the alteration layer and involving water molecules as it is thought that water accessibility to the pristine glass is the rate-limiting process.« less

Review on first-principles study of defect properties of CdTe as a solar cell absorber

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

Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang

2016-07-15

CdTe is one of the leading materials for high-efficiency, low-cost, and thin-film solar cells. In this work, we review the recent first-principles study of defect properties of CdTe and present that: (1) When only intrinsic defects are present, p-type doping in CdTe is weak and the hole density is low due to the relatively deep acceptor levels of Cd vacancy. (2) When only intrinsic defects present, the dominant non-radiative recombination center in p-type CdTe is Te-2+/Cd, which limits the carrier lifetime to be around 200 ns. (3) Extrinsic p-type doping in CdTe by replacing Te with group V elements generallymore » will be limited by the formation of AX centers. This could be overcome through a non-equilibrium cooling process and the hole density can achieve 10^17 cm-3. However, the long-term stability will be a challenging issue. (4) Extrinsic p-type doping by replacing Cd with alkaline group I elements is limited by alkaline interstitials and a non-equilibrium cooling process can efficiently enhance the hole density to the order of 10^17 cm-3. (5) Cu and Cl treatments are discussed. In bulk CdTe, Cu can enhance p-type doping, but Cl is found to be unsuitable for this. Both Cu and Cl show segregation at grain boundaries, especially at those with Te-Te wrong bonds. (6) External impurities are usually incorporated by diffusion. Therefore, the diffusion processes in CdTe are investigated. We find that cation interstitial (Nai, Cui) diffusion follows relatively simple diffusion paths, but anion diffusion (Cli, Pi) follows more complicated paths due to the degenerated defect wavefunctions.« less

Probing the Interplay of Size, Shape, and Solution Environment in Macromolecular Diffusion Using a Simple Refraction Experiment

ERIC Educational Resources Information Center

Mankidy, Bijith D.; Coutinho, Cecil A.; Gupta, Vinay K.

2010-01-01

The diffusion coefficient of polymers is a critical parameter in biomedicine, catalysis, chemical separations, nanotechnology, and other industrial applications. Here, measurement of macromolecular diffusion in solutions is described using a visually instructive, undergraduate-level optical refraction experiment based on Weiner's method. To…

Diffuse colonies of human skin fibroblasts in relation to cellular senescence and proliferation.

PubMed

Zorin, Vadim; Zorina, Alla; Smetanina, Nadezhda; Kopnin, Pavel; Ozerov, Ivan V; Leonov, Sergey; Isaev, Artur; Klokov, Dmitry; Osipov, Andreyan N

2017-05-16

Development of personalized skin treatment in medicine and skin care may benefit from simple and accurate evaluation of the fraction of senescent skin fibroblasts that lost their proliferative capacity. We examined whether enriched analysis of colonies formed by primary human skin fibroblasts, a simple and widely available cellular assay, could reveal correlations with the fraction of senescent cells in heterogenic cell population. We measured fractions of senescence associated β-galactosidase (SA-βgal) positive cells in either mass cultures or colonies of various morphological types (dense, mixed and diffuse) formed by skin fibroblasts from 10 human donors. Although the donors were chosen to be within the same age group (33-54 years), the colony forming efficiency of their fibroblasts (ECO-f) and the percentage of dense, mixed and diffuse colonies varied greatly among the donors. We showed, for the first time, that the SA-βgal positive fraction was the largest in diffuse colonies, confirming that they originated from cells with the least proliferative capacity. The percentage of diffuse colonies was also found to correlate with the SA-βgal positive cells in mass culture. Using Ki67 as a cell proliferation marker, we further demonstrated a strong inverse correlation (r=-0.85, p=0.02) between the percentage of diffuse colonies and the fraction of Ki67+ cells. Moreover, a significant inverse correlation (r=-0.94, p=0.0001) between the percentage of diffuse colonies and ECO-f was found. Our data indicate that quantification of a fraction of diffuse colonies may provide a simple and useful method to evaluate the extent of cellular senescence in human skin fibroblasts.

Confinement Regulates Complex Biochemical Networks: Initiation of Blood Clotting by “Diffusion Acting”

PubMed Central

Shen, Feng; Pompano, Rebecca R.; Kastrup, Christian J.; Ismagilov, Rustem F.

2009-01-01

Abstract This study shows that environmental confinement strongly affects the activation of nonlinear reaction networks, such as blood coagulation (clotting), by small quantities of activators. Blood coagulation is sensitive to the local concentration of soluble activators, initiating only when the activators surpass a threshold concentration, and therefore is regulated by mass transport phenomena such as flow and diffusion. Here, diffusion was limited by decreasing the size of microfluidic chambers, and it was found that microparticles carrying either the classical stimulus, tissue factor, or a bacterial stimulus, Bacillus cereus, initiated coagulation of human platelet-poor plasma only when confined. A simple analytical argument and numerical model were used to describe the mechanism for this phenomenon: confinement causes diffusible activators to accumulate locally and surpass the threshold concentration. To interpret the results, a dimensionless confinement number, Cn, was used to describe whether a stimulus was confined, and a Damköhler number, Da2, was used to describe whether a subthreshold stimulus could initiate coagulation. In the context of initiation of coagulation by bacteria, this mechanism can be thought of as “diffusion acting”, which is distinct from “diffusion sensing”. The ability of confinement and diffusion acting to change the outcome of coagulation suggests that confinement should also regulate other biological “on” and “off” processes that are controlled by thresholds. PMID:19843446

Scaling laws of passive-scalar diffusion in the interstellar medium

NASA Astrophysics Data System (ADS)

Colbrook, Matthew J.; Ma, Xiangcheng; Hopkins, Philip F.; Squire, Jonathan

2017-05-01

Passive-scalar mixing (metals, molecules, etc.) in the turbulent interstellar medium (ISM) is critical for abundance patterns of stars and clusters, galaxy and star formation, and cooling from the circumgalactic medium. However, the fundamental scaling laws remain poorly understood in the highly supersonic, magnetized, shearing regime relevant for the ISM. We therefore study the full scaling laws governing passive-scalar transport in idealized simulations of supersonic turbulence. Using simple phenomenological arguments for the variation of diffusivity with scale based on Richardson diffusion, we propose a simple fractional diffusion equation to describe the turbulent advection of an initial passive scalar distribution. These predictions agree well with the measurements from simulations, and vary with turbulent Mach number in the expected manner, remaining valid even in the presence of a large-scale shear flow (e.g. rotation in a galactic disc). The evolution of the scalar distribution is not the same as obtained using simple, constant 'effective diffusivity' as in Smagorinsky models, because the scale dependence of turbulent transport means an initially Gaussian distribution quickly develops highly non-Gaussian tails. We also emphasize that these are mean scalings that apply only to ensemble behaviours (assuming many different, random scalar injection sites): individual Lagrangian 'patches' remain coherent (poorly mixed) and simply advect for a large number of turbulent flow-crossing times.

Monte Carlo random walk simulation of electron transport in confined porous TiO{sub 2} as a promising candidate for photo-electrode of nano-crystalline solar cells

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

Javadi, M.; Abdi, Y., E-mail: y.abdi@ut.ac.ir

2015-08-14

Monte Carlo continuous time random walk simulation is used to study the effects of confinement on electron transport, in porous TiO{sub 2}. In this work, we have introduced a columnar structure instead of the thick layer of porous TiO{sub 2} used as anode in conventional dye solar cells. Our simulation results show that electron diffusion coefficient in the proposed columnar structure is significantly higher than the diffusion coefficient in the conventional structure. It is shown that electron diffusion in the columnar structure depends both on the cross section area of the columns and the porosity of the structure. Also, wemore » demonstrate that such enhanced electron diffusion can be realized in the columnar photo-electrodes with a cross sectional area of ∼1 μm{sup 2} and porosity of 55%, by a simple and low cost fabrication process. Our results open up a promising approach to achieve solar cells with higher efficiencies by engineering the photo-electrode structure.« less

Point-particle method to compute diffusion-limited cellular uptake.

PubMed

Sozza, A; Piazza, F; Cencini, M; De Lillo, F; Boffetta, G

2018-02-01

We present an efficient point-particle approach to simulate reaction-diffusion processes of spherical absorbing particles in the diffusion-limited regime, as simple models of cellular uptake. The exact solution for a single absorber is used to calibrate the method, linking the numerical parameters to the physical particle radius and uptake rate. We study the configurations of multiple absorbers of increasing complexity to examine the performance of the method by comparing our simulations with available exact analytical or numerical results. We demonstrate the potential of the method to resolve the complex diffusive interactions, here quantified by the Sherwood number, measuring the uptake rate in terms of that of isolated absorbers. We implement the method in a pseudospectral solver that can be generalized to include fluid motion and fluid-particle interactions. As a test case of the presence of a flow, we consider the uptake rate by a particle in a linear shear flow. Overall, our method represents a powerful and flexible computational tool that can be employed to investigate many complex situations in biology, chemistry, and related sciences.

Monte Carlo random walk simulation of electron transport in confined porous TiO2 as a promising candidate for photo-electrode of nano-crystalline solar cells

NASA Astrophysics Data System (ADS)

Javadi, M.; Abdi, Y.

2015-08-01

Monte Carlo continuous time random walk simulation is used to study the effects of confinement on electron transport, in porous TiO2. In this work, we have introduced a columnar structure instead of the thick layer of porous TiO2 used as anode in conventional dye solar cells. Our simulation results show that electron diffusion coefficient in the proposed columnar structure is significantly higher than the diffusion coefficient in the conventional structure. It is shown that electron diffusion in the columnar structure depends both on the cross section area of the columns and the porosity of the structure. Also, we demonstrate that such enhanced electron diffusion can be realized in the columnar photo-electrodes with a cross sectional area of ˜1 μm2 and porosity of 55%, by a simple and low cost fabrication process. Our results open up a promising approach to achieve solar cells with higher efficiencies by engineering the photo-electrode structure.

Morphology Effect on Proton Dynamics in Nafion® 117 and Sulfonated Polyether Ether Ketone

NASA Astrophysics Data System (ADS)

Leong, Jun Xing; Diño, Wilson Agerico; Ahmad, Azizan; Daud, Wan Ramli Wan; Kasai, Hideaki

2016-09-01

We report results of our experimental and theoretical studies on the dynamics of proton conductivity in Nafion® 117 and self-fabricated sulfonated polyether ether ketone (SPEEK) membranes. Knowing that the presence of water molecules in the diffusion process results in a lower energy barrier, we determined the diffusion barriers and corresponding tunneling probabilities of Nafion® 117 and SPEEK system using a simple theoretical model that excludes the medium (water molecules) in the initial calculations. We then propose an equation that relates the membrane conductivity to the tunneling probability. We recover the effect of the medium by introducing a correction term into the proposed equation, which takes into account the effect of the proton diffusion distance and the hydration level. We have also experimentally verified that the proposed equation correctly explain the difference in conductivity between Nafion® 117 and SPEEK. We found that membranes that are to be operated in low hydration environments (high temperatures) need to be designed with short diffusion distances to enhance and maintain high conductivity.

Role of boundary layer diffusion in vapor deposition growth of chalcogenide nanosheets: the case of GeS.

PubMed

Li, Chun; Huang, Liang; Snigdha, Gayatri Pongur; Yu, Yifei; Cao, Linyou

2012-10-23

We report a synthesis of single-crystalline two-dimensional GeS nanosheets using vapor deposition processes and show that the growth behavior of the nanosheet is substantially different from those of other nanomaterials and thin films grown by vapor depositions. The nanosheet growth is subject to strong influences of the diffusion of source materials through the boundary layer of gas flows. This boundary layer diffusion is found to be the rate-determining step of the growth under typical experimental conditions, evidenced by a substantial dependence of the nanosheet's size on diffusion fluxes. We also find that high-quality GeS nanosheets can grow only in the diffusion-limited regime, as the crystalline quality substantially deteriorates when the rate-determining step is changed away from the boundary layer diffusion. We establish a simple model to analyze the diffusion dynamics in experiments. Our analysis uncovers an intuitive correlation of diffusion flux with the partial pressure of source materials, the flow rate of carrier gas, and the total pressure in the synthetic setup. The observed significant role of boundary layer diffusions in the growth is unique for nanosheets. It may be correlated with the high growth rate of GeS nanosheets, ~3-5 μm/min, which is 1 order of magnitude higher than other nanomaterials (such as nanowires) and thin films. This fundamental understanding of the effect of boundary layer diffusions may generally apply to other chalcogenide nanosheets that can grow rapidly. It can provide useful guidance for the development of general paradigms to control the synthesis of nanosheets.

Diffusion of a new intermediate product in a simple ‘classical‐Schumpeterian’ model

PubMed Central

2017-01-01

Abstract This paper deals with the problem of new intermediate products within a simple model, where production is circular and goods enter into the production of other goods. It studies the process by which the new good is absorbed into the economy and the structural transformation that goes with it. By means of a long‐period method the forces of structural transformation are examined, in particular the shift of existing means of production towards the innovation and the mechanism of differential growth in terms of alternative techniques and their associated systems of production. We treat two important Schumpeterian topics: the question of technological unemployment and the problem of ‘forced saving’ and the related problem of an involuntary reduction of real consumption per capita. It is shown that both phenomena are potential by‐products of the transformation process. PMID:29695874

A Simple Secure Hash Function Scheme Using Multiple Chaotic Maps

NASA Astrophysics Data System (ADS)

Ahmad, Musheer; Khurana, Shruti; Singh, Sushmita; AlSharari, Hamed D.

2017-06-01

The chaotic maps posses high parameter sensitivity, random-like behavior and one-way computations, which favor the construction of cryptographic hash functions. In this paper, we propose to present a novel hash function scheme which uses multiple chaotic maps to generate efficient variable-sized hash functions. The message is divided into four parts, each part is processed by a different 1D chaotic map unit yielding intermediate hash code. The four codes are concatenated to two blocks, then each block is processed through 2D chaotic map unit separately. The final hash value is generated by combining the two partial hash codes. The simulation analyses such as distribution of hashes, statistical properties of confusion and diffusion, message and key sensitivity, collision resistance and flexibility are performed. The results reveal that the proposed anticipated hash scheme is simple, efficient and holds comparable capabilities when compared with some recent chaos-based hash algorithms.

Interaction dynamics of two diffusing particles: contact times and influence of nearby surfaces.

PubMed

Tränkle, B; Ruh, D; Rohrbach, A

2016-03-14

Interactions of diffusing particles are governed by hydrodynamics on different length and timescales. The local hydrodynamics can be influenced substantially by simple interfaces. Here, we investigate the interaction dynamics of two micron-sized spheres close to plane interfaces to mimic more complex biological systems or microfluidic environments. Using scanned line optical tweezers and fast 3D interferometric particle tracking, we are able to track the motion of each bead with precisions of a few nanometers and at a rate of 10 kilohertz. From the recorded trajectories, all spatial and temporal information is accessible. This way, we measure diffusion coefficients for two coupling particles at varying distances h to one or two glass interfaces. We analyze their coupling strength and length by cross-correlation analysis relative to h and find a significant decrease in the coupling length when a second particle diffuses nearby. By analysing the times the particles are in close contact, we find that the influence of nearby surfaces and interaction potentials reduce the diffusivity strongly, although we found that the diffusivity hardly affects the contact times and the binding probability between the particles. All experimental results are compared to a theoretical model, which is based on the number of possible diffusion paths following the Catalan numbers and a diffusion probability, which is biased by the spheres' surface potential. The theoretical and experimental results agree very well and therefore enable a better understanding of hydrodynamically coupled interaction processes.

The flashing Brownian ratchet and Parrondo’s paradox

PubMed Central

Ethier, S. N.

2018-01-01

A Brownian ratchet is a one-dimensional diffusion process that drifts towards a minimum of a periodic asymmetric sawtooth potential. A flashing Brownian ratchet is a process that alternates between two regimes, a one-dimensional Brownian motion and a Brownian ratchet, producing directed motion. These processes have been of interest to physicists and biologists for nearly 25 years. The flashing Brownian ratchet is the process that motivated Parrondo’s paradox, in which two fair games of chance, when alternated, produce a winning game. Parrondo’s games are relatively simple, being discrete in time and space. The flashing Brownian ratchet is rather more complicated. We show how one can study the latter process numerically using a random walk approximation. PMID:29410868

Thermal properties and heat transfer coefficients in cryogenic cooling

NASA Astrophysics Data System (ADS)

Biddulph, M. W.; Burford, R. P.

This paper considers two aspects of the design of the cooling stage of the process known as cryogenic recycling. This process uses liquid nitrogen to embrittle certain materials before grinding and subsequent separation. It is being increasingly used in materials recycling. A simple method of establishing thermal diffusivity values of materials of interest by using cooling curves is described. These values are important for effective cooler design. In addition values of convective heat transfer coefficient have been determined in an operating inclined, rotating cylindrical cooler operating on scrap car tyres. These will also be useful for cooler design methods.

Word of Mouth : An Agent-based Approach to Predictability of Stock Prices

NASA Astrophysics Data System (ADS)

Shimokawa, Tetsuya; Misawa, Tadanobu; Watanabe, Kyoko

This paper addresses how communication processes among investors affect stock prices formation, especially emerging predictability of stock prices, in financial markets. An agent based model, called the word of mouth model, is introduced for analyzing the problem. This model provides a simple, but sufficiently versatile, description of informational diffusion process and is successful in making lucidly explanation for the predictability of small sized stocks, which is a stylized fact in financial markets but difficult to resolve by traditional models. Our model also provides a rigorous examination of the under reaction hypothesis to informational shocks.

Linearized finite-element method solution of the ion-exchange nonlinear diffusion model

NASA Astrophysics Data System (ADS)

Badr, Mohamed M.; Swillam, Mohamed A.

2017-04-01

Ion-exchange process is one of the most common techniques used in glass waveguide fabrication. This has many advantages, such as low cost, ease of implementation, and simple equipment requirements. The technology is based on the substitution of some of the host ions in the glass (typically Na+) with other ions that possess different characteristics in terms of size and polarizability. The newly diffused ions produce a region with a relatively higher refractive index in which the light could be guided. A critical issue arises when it comes to designing such waveguides, which is carefully and precisely determining the resultant index profile. This task has been proven to be hideous as the process is generally governed by a nonlinear diffusion model with no direct general analytical solution. Furthermore, numerical solutions become unreliable-in terms of stability and mean squared error-in some cases, especially the K+-Na+ ion-exchanged waveguide, which is the best candidate to produce waveguides with refractive index differences compatible with those of the commercially available optical fibers. Linearized finite-element method formulations were used to provide a reliable tool that could solve the nonlinear diffusion model of the ion-exchange in both one- and two-dimensional spaces. Additionally, the annealed channel waveguide case has been studied. In all cases, unprecedented stability and minimum mean squared error could be achieved.

Fast and Accurate Poisson Denoising With Trainable Nonlinear Diffusion.

PubMed

Feng, Wensen; Qiao, Peng; Chen, Yunjin; Wensen Feng; Peng Qiao; Yunjin Chen; Feng, Wensen; Chen, Yunjin; Qiao, Peng

2018-06-01

The degradation of the acquired signal by Poisson noise is a common problem for various imaging applications, such as medical imaging, night vision, and microscopy. Up to now, many state-of-the-art Poisson denoising techniques mainly concentrate on achieving utmost performance, with little consideration for the computation efficiency. Therefore, in this paper we aim to propose an efficient Poisson denoising model with both high computational efficiency and recovery quality. To this end, we exploit the newly developed trainable nonlinear reaction diffusion (TNRD) model which has proven an extremely fast image restoration approach with performance surpassing recent state-of-the-arts. However, the straightforward direct gradient descent employed in the original TNRD-based denoising task is not applicable in this paper. To solve this problem, we resort to the proximal gradient descent method. We retrain the model parameters, including the linear filters and influence functions by taking into account the Poisson noise statistics, and end up with a well-trained nonlinear diffusion model specialized for Poisson denoising. The trained model provides strongly competitive results against state-of-the-art approaches, meanwhile bearing the properties of simple structure and high efficiency. Furthermore, our proposed model comes along with an additional advantage, that the diffusion process is well-suited for parallel computation on graphics processing units (GPUs). For images of size , our GPU implementation takes less than 0.1 s to produce state-of-the-art Poisson denoising performance.

Effects of Material Degradation on the Structural Integrity of Composite Materials: Experimental Investigation and Modeling of High Temperature Degradation Mechanisms

NASA Technical Reports Server (NTRS)

Cunningham, Ronan A.; McManus, Hugh L.

1996-01-01

It has previously been demonstrated that simple coupled reaction-diffusion models can approximate the aging behavior of PMR-15 resin subjected to different oxidative environments. Based on empirically observed phenomena, a model coupling chemical reactions, both thermal and oxidative, with diffusion of oxygen into the material bulk should allow simulation of the aging process. Through preliminary modeling techniques such as this it has become apparent that accurate analytical models cannot be created until the phenomena which cause the aging of these materials are quantified. An experimental program is currently underway to quantify all of the reaction/diffusion related mechanisms involved. The following contains a summary of the experimental data which has been collected through thermogravimetric analyses of neat PMR-15 resin, along with analytical predictions from models based on the empirical data. Thermogravimetric analyses were carried out in a number of different environments - nitrogen, air and oxygen. The nitrogen provides data for the purely thermal degradation mechanisms while those in air provide data for the coupled oxidative-thermal process. The intent here is to effectively subtract the nitrogen atmosphere data (assumed to represent only thermal reactions) from the air and oxygen atmosphere data to back-figure the purely oxidative reactions. Once purely oxidative (concentration dependent) reactions have been quantified it should then be possible to quantify the diffusion of oxygen into the material bulk.

Self-Organized Percolation and Critical Sales Fluctuations

NASA Astrophysics Data System (ADS)

Weisbuch, Gérard; Solomon, Sorin

There is a discrepancy between the standard view of equilibrium through price adjustment in economics and the observation of large fluctuations in stock markets. We study here a simple model where agents decisions not only depend upon their individual preferences but also upon information obtained from their neighbors in a social network. The model shows that information diffusion coupled to the adjustment process drives the system to criticality with large fluctuations rather than converging smoothly to equilibrium.

Experimental investigation and numerical simulation of 3He gas diffusion in simple geometries: implications for analytical models of 3He MR lung morphometry.

PubMed

Parra-Robles, J; Ajraoui, S; Deppe, M H; Parnell, S R; Wild, J M

2010-06-01

Models of lung acinar geometry have been proposed to analytically describe the diffusion of (3)He in the lung (as measured with pulsed gradient spin echo (PGSE) methods) as a possible means of characterizing lung microstructure from measurement of the (3)He ADC. In this work, major limitations in these analytical models are highlighted in simple diffusion weighted experiments with (3)He in cylindrical models of known geometry. The findings are substantiated with numerical simulations based on the same geometry using finite difference representation of the Bloch-Torrey equation. The validity of the existing "cylinder model" is discussed in terms of the physical diffusion regimes experienced and the basic reliance of the cylinder model and other ADC-based approaches on a Gaussian diffusion behaviour is highlighted. The results presented here demonstrate that physical assumptions of the cylinder model are not valid for large diffusion gradient strengths (above approximately 15 mT/m), which are commonly used for (3)He ADC measurements in human lungs. (c) 2010 Elsevier Inc. All rights reserved.

Localized Enzymatic Degradation of Polymers: Physics and Scaling Laws

NASA Astrophysics Data System (ADS)

Lalitha Sridhar, Shankar; Vernerey, Franck

2018-03-01

Biodegradable polymers are naturally abundant in living matter and have led to great advances in controlling environmental pollution due to synthetic polymer products, harnessing renewable energy from biofuels, and in the field of biomedicine. One of the most prevalent mechanisms of biodegradation involves enzyme-catalyzed depolymerization by biological agents. Despite numerous studies dedicated to understanding polymer biodegradation in different environments, a simple model that predicts the macroscopic behavior (mass and structural loss) in terms of microphysical processes (enzyme transport and reaction) is lacking. An interesting phenomenon occurs when an enzyme source (released by a biological agent) attacks a tight polymer mesh that restricts free diffusion. A fuzzy interface separating the intact and fully degraded polymer propagates away from the source and into the polymer as the enzymes diffuse and react in time. Understanding the characteristics of this interface will provide crucial insight into the biodegradation process and potential ways to precisely control it. In this work, we present a centrosymmetric model of biodegradation by characterizing the moving fuzzy interface in terms of its speed and width. The model predicts that the characteristics of this interface are governed by two time scales, namely the polymer degradation and enzyme transport times, which in turn depend on four main polymer and enzyme properties. A key finding of this work is simple scaling laws that can be used to guide biodegradation of polymers in different applications.

Diffusion in coastal and harbour zones, effects of Waves,Wind and Currents

NASA Astrophysics Data System (ADS)

Diez, M.; Redondo, J. M.

2009-04-01

As there are multiple processes at different scales that produce turbulent mixing in the ocean, thus giving a large variation of horizontal eddy diffusivities, we use a direct method to evaluate the influence of different ambient parameters such as wave height and wind on coastal dispersion. Measurements of the diffusivity are made by digital processing of images taken from from video recordings of the sea surface near the coast. The use of image analysis allows to estimate both spatial and temporal characteristics of wave fields, surface circulation and mixing in the surf zone, near Wave breakers and inside Harbours. The study of near-shore dispersion [1], with the added complexity of the interaction between wave fields, longshore currents, turbulence and beach morphology, needs detailed measurements of simple mixing processes to compare the respective influences of forcings at different scales. The measurements include simultaneous time series of waves, currents, wind velocities from the studied area. Cuantitative information from the video images is accomplished using the DigImage video processing system [3], and a frame grabber. The video may be controlled by the computer, allowing, remote control of the processing. Spectral analysis on the images has also used n order to estimate dominant wave periods as well as the dispersion relations of dominant instabilities. The measurements presented here consist mostly on the comarison of difussion coeficients measured by evaluating the spread of blobs of dye (milk) as well as by measuring the separation between different buoys released at the same time. We have used a techniques, developed by Bahia(1997), Diez(1998) and Bezerra(2000)[1-3] to study turbulent diffusion by means of digital processing of images taken from remote sensing and video recordings of the sea surface. The use of image analysis allows to measure variations of several decades in horizontal diffusivity values, the comparison of the diffusivities between different sites is not direct and a good understanding of the dominant mixing processes is needed. There is an increase of diffusivity with wave height but only for large Wave Reynolds numbers. Other important factors are wind speed and tidal currents. The horizontal diffusivity shows a marked anisotropy as a function of wave height and distance from the coast. The measurements were performed under a variety of weather conditions conditional sampling has been used to identify the different influences of the environmental agents on the actual effective horizontal diffusion[4]. [1] Bahia E. (1998) "Un estudio numerico experimental de la dispersion de contaminantes en aguas costeras, PhD Tesis UPC, Barcelona. [2] Bezerra M.O., (2000) "Diffusion de contaminantes en la costa. , PhD Tesis Uni. De Barcelona, Barcelona. [3] Diez M. (1998) "Estudio de la Hidrodinamica de la zona de rompientes mediante el analisis digital de imagenes. Master Thesis, UPC, Barcelona. [4] Artale V., Boffetta G., Celani A., Cencini M. and Vulpiani A., 1997, "Dispersion of passive tracers in closed basins: Beyond the diffusion coefficient", Physics of Fluids, vol 9, pp 3162-1997

Thirty years since diffuse sound reflection by maximum length

NASA Astrophysics Data System (ADS)

Cox, Trevor J.; D'Antonio, Peter

2005-09-01

This year celebrates the 30th anniversary of Schroeder's seminal paper on sound scattering from maximum length sequences. This paper, along with Schroeder's subsequent publication on quadratic residue diffusers, broke new ground, because they contained simple recipes for designing diffusers with known acoustic performance. So, what has happened in the intervening years? As with most areas of engineering, the room acoustic diffuser has been greatly influenced by the rise of digital computing technologies. Numerical methods have become much more powerful, and this has enabled predictions of surface scattering to greater accuracy and for larger scale surfaces than previously possible. Architecture has also gone through a revolution where the forms of buildings have become more extreme and sculptural. Acoustic diffuser designs have had to keep pace with this to produce shapes and forms that are desirable to architects. To achieve this, design methodologies have moved away from Schroeder's simple equations to brute force optimization algorithms. This paper will look back at the past development of the modern diffuser, explaining how the principles of diffuser design have been devised and revised over the decades. The paper will also look at the present state-of-the art, and dreams for the future.

Fluorescence correlation spectroscopy diffusion laws to probe the submicron cell membrane organization.

PubMed

Wawrezinieck, Laure; Rigneault, Hervé; Marguet, Didier; Lenne, Pierre-François

2005-12-01

To probe the complexity of the cell membrane organization and dynamics, it is important to obtain simple physical observables from experiments on live cells. Here we show that fluorescence correlation spectroscopy (FCS) measurements at different spatial scales enable distinguishing between different submicron confinement models. By plotting the diffusion time versus the transverse area of the confocal volume, we introduce the so-called FCS diffusion law, which is the key concept throughout this article. First, we report experimental FCS diffusion laws for two membrane constituents, which are respectively a putative raft marker and a cytoskeleton-hindered transmembrane protein. We find that these two constituents exhibit very distinct behaviors. To understand these results, we propose different models, which account for the diffusion of molecules either in a membrane comprising isolated microdomains or in a meshwork. By simulating FCS experiments for these two types of organization, we obtain FCS diffusion laws in agreement with our experimental observations. We also demonstrate that simple observables derived from these FCS diffusion laws are strongly related to confinement parameters such as the partition of molecules in microdomains and the average confinement time of molecules in a microdomain or a single mesh of a meshwork.

Critical time scales for advection-diffusion-reaction processes.

PubMed

Ellery, Adam J; Simpson, Matthew J; McCue, Scott W; Baker, Ruth E

2012-04-01

The concept of local accumulation time (LAT) was introduced by Berezhkovskii and co-workers to give a finite measure of the time required for the transient solution of a reaction-diffusion equation to approach the steady-state solution [A. M. Berezhkovskii, C. Sample, and S. Y. Shvartsman, Biophys. J. 99, L59 (2010); A. M. Berezhkovskii, C. Sample, and S. Y. Shvartsman, Phys. Rev. E 83, 051906 (2011)]. Such a measure is referred to as a critical time. Here, we show that LAT is, in fact, identical to the concept of mean action time (MAT) that was first introduced by McNabb [A. McNabb and G. C. Wake, IMA J. Appl. Math. 47, 193 (1991)]. Although McNabb's initial argument was motivated by considering the mean particle lifetime (MPLT) for a linear death process, he applied the ideas to study diffusion. We extend the work of these authors by deriving expressions for the MAT for a general one-dimensional linear advection-diffusion-reaction problem. Using a combination of continuum and discrete approaches, we show that MAT and MPLT are equivalent for certain uniform-to-uniform transitions; these results provide a practical interpretation for MAT by directly linking the stochastic microscopic processes to a meaningful macroscopic time scale. We find that for more general transitions, the equivalence between MAT and MPLT does not hold. Unlike other critical time definitions, we show that it is possible to evaluate the MAT without solving the underlying partial differential equation (pde). This makes MAT a simple and attractive quantity for practical situations. Finally, our work explores the accuracy of certain approximations derived using MAT, showing that useful approximations for nonlinear kinetic processes can be obtained, again without treating the governing pde directly.

Simple stochastic model for El Niño with westerly wind bursts

PubMed Central

Thual, Sulian; Majda, Andrew J.; Chen, Nan; Stechmann, Samuel N.

2016-01-01

Atmospheric wind bursts in the tropics play a key role in the dynamics of the El Niño Southern Oscillation (ENSO). A simple modeling framework is proposed that summarizes this relationship and captures major features of the observational record while remaining physically consistent and amenable to detailed analysis. Within this simple framework, wind burst activity evolves according to a stochastic two-state Markov switching–diffusion process that depends on the strength of the western Pacific warm pool, and is coupled to simple ocean–atmosphere processes that are otherwise deterministic, stable, and linear. A simple model with this parameterization and no additional nonlinearities reproduces a realistic ENSO cycle with intermittent El Niño and La Niña events of varying intensity and strength as well as realistic buildup and shutdown of wind burst activity in the western Pacific. The wind burst activity has a direct causal effect on the ENSO variability: in particular, it intermittently triggers regular El Niño or La Niña events, super El Niño events, or no events at all, which enables the model to capture observed ENSO statistics such as the probability density function and power spectrum of eastern Pacific sea surface temperatures. The present framework provides further theoretical and practical insight on the relationship between wind burst activity and the ENSO. PMID:27573821

Diffusion with social reinforcement: The role of individual preferences

NASA Astrophysics Data System (ADS)

Tur, Elena M.; Zeppini, Paolo; Frenken, Koen

2018-02-01

The debate on diffusion in social networks has traditionally focused on the structure of the network to understand the efficiency of a network in terms of diffusion. Recently, the role of social reinforcement has been added to the debate, as it has been proposed that simple contagions diffuse better in random networks and complex contagions diffuse better in regular networks. In this paper, we show that individual preferences cannot be overlooked: complex contagions diffuse better in regular networks only if the large majority of the population is biased against adoption.

A high-resolution conceptual model for diffuse organic micropollutant loads in streams

NASA Astrophysics Data System (ADS)

Stamm, Christian; Honti, Mark; Ghielmetti, Nico

2013-04-01

The ecological state of surface waters has become the dominant aspect in water quality assessments. Toxicity is a key determinant of the ecological state, but organic micropollutants (OMP) are seldom monitored with the same spatial and temporal frequency as for example nutrients, mainly due the demanding analytical methods and costs. However, diffuse transport pathways are at least equally complex for OMPs as for nutrients and there are still significant knowledge gaps. Moreover, concentrations of the different compounds would need to be known with fairly high temporal resolution because acute toxicity can be as important as the chronic one. Fully detailed mechanistic models of diffuse OMP loads require an immense set of site-specific knowledge and are rarely applicable for catchments lacking an exceptional monitoring coverage. Simple empirical methods are less demanding but usually work with more temporal aggregation and that's why they have limited possibilities to support the estimation of the ecological state. This study presents a simple conceptual model that aims to simulate the concentrations of selected organic micropollutants with daily resolution at 11 locations in the stream network of a small catchment (46 km2). The prerequisite is a known hydrological and meteorological background (daily discharge, precipitation and air temperature time series), a land use map and some historic measurements of the desired compounds. The model is conceptual in the sense that all important diffuse transport pathways are simulated separately, but each with a simple empirical process rate. Consequently, some site-specific observations are required to calibrate the model, but afterwards the model can be used for forecasting and scenario analysis as the calibrated process rates typically describe invariant properties of the catchment. We simulated 6 different OMPs from the categories of agricultural and urban pesticides and urban biocides. The application of agricultural pesticides was also simulated with the model using a heat-sum approach. Calibration was carried out with weekly aggregated samples covering the growing season in 2 years. The model could reproduce the observed OMP concentrations with varying success. Compounds that are less persistent in the environment and thus have a dominant temporal dynamics (pesticides with a short half-life) could be simulated in general better than the persistent ones. For the latter group the relatively stable available stock meant that there were no clear seasonal dynamics, which revealed that transport processes are quite uncertain even when daily rainfall is used as the main driver. Nevertheless the daily concentration distribution could still be simulated with higher accuracy than the individual peaks. Thus we can model the concentration-duration relationship for daily resolution in an acceptable way for each compound.

Motoneuron membrane potentials follow a time inhomogeneous jump diffusion process.

PubMed

Jahn, Patrick; Berg, Rune W; Hounsgaard, Jørn; Ditlevsen, Susanne

2011-11-01

Stochastic leaky integrate-and-fire models are popular due to their simplicity and statistical tractability. They have been widely applied to gain understanding of the underlying mechanisms for spike timing in neurons, and have served as building blocks for more elaborate models. Especially the Ornstein-Uhlenbeck process is popular to describe the stochastic fluctuations in the membrane potential of a neuron, but also other models like the square-root model or models with a non-linear drift are sometimes applied. Data that can be described by such models have to be stationary and thus, the simple models can only be applied over short time windows. However, experimental data show varying time constants, state dependent noise, a graded firing threshold and time-inhomogeneous input. In the present study we build a jump diffusion model that incorporates these features, and introduce a firing mechanism with a state dependent intensity. In addition, we suggest statistical methods to estimate all unknown quantities and apply these to analyze turtle motoneuron membrane potentials. Finally, simulated and real data are compared and discussed. We find that a square-root diffusion describes the data much better than an Ornstein-Uhlenbeck process with constant diffusion coefficient. Further, the membrane time constant decreases with increasing depolarization, as expected from the increase in synaptic conductance. The network activity, which the neuron is exposed to, can be reasonably estimated to be a threshold version of the nerve output from the network. Moreover, the spiking characteristics are well described by a Poisson spike train with an intensity depending exponentially on the membrane potential.

Time-independent models of asset returns revisited

NASA Astrophysics Data System (ADS)

Gillemot, L.; Töyli, J.; Kertesz, J.; Kaski, K.

2000-07-01

In this study we investigate various well-known time-independent models of asset returns being simple normal distribution, Student t-distribution, Lévy, truncated Lévy, general stable distribution, mixed diffusion jump, and compound normal distribution. For this we use Standard and Poor's 500 index data of the New York Stock Exchange, Helsinki Stock Exchange index data describing a small volatile market, and artificial data. The results indicate that all models, excluding the simple normal distribution, are, at least, quite reasonable descriptions of the data. Furthermore, the use of differences instead of logarithmic returns tends to make the data looking visually more Lévy-type distributed than it is. This phenomenon is especially evident in the artificial data that has been generated by an inflated random walk process.

An attentional drift diffusion model over binary-attribute choice.

PubMed

Fisher, Geoffrey

2017-11-01

In order to make good decisions, individuals need to identify and properly integrate information about various attributes associated with a choice. Since choices are often complex and made rapidly, they are typically affected by contextual variables that are thought to influence how much attention is paid to different attributes. I propose a modification of the attentional drift-diffusion model, the binary-attribute attentional drift diffusion model (baDDM), which describes the choice process over simple binary-attribute choices and how it is affected by fluctuations in visual attention. Using an eye-tracking experiment, I find the baDDM makes accurate quantitative predictions about several key variables including choices, reaction times, and how these variables are correlated with attention to two attributes in an accept-reject decision. Furthermore, I estimate an attribute-based fixation bias that suggests attention to an attribute increases its subjective weight by 5%, while the unattended attribute's weight is decreased by 10%. Copyright © 2017 Elsevier B.V. All rights reserved.

Directing energy transport in organic photovoltaic cells using interfacial exciton gates.

PubMed

Menke, S Matthew; Mullenbach, Tyler K; Holmes, Russell J

2015-04-28

Exciton transport in organic semiconductors is a critical, mediating process in many optoelectronic devices. Often, the diffusive and subdiffusive nature of excitons in these systems can limit device performance, motivating the development of strategies to direct exciton transport. In this work, directed exciton transport is achieved with the incorporation of exciton permeable interfaces. These interfaces introduce a symmetry-breaking imbalance in exciton energy transfer, leading to directed motion. Despite their obvious utility for enhanced exciton harvesting in organic photovoltaic cells (OPVs), the emergent properties of these interfaces are as yet uncharacterized. Here, directed exciton transport is conclusively demonstrated in both dilute donor and energy-cascade OPVs where judicious optimization of the interface allows exciton transport to the donor-acceptor heterojunction to occur considerably faster than when relying on simple diffusion. Generalized systems incorporating multiple exciton permeable interfaces are also explored, demonstrating the ability to further harness this phenomenon and expeditiously direct exciton motion, overcoming the diffusive limit.

Particle Diffusion in an Inhomogeneous Medium

ERIC Educational Resources Information Center

Bringuier, E.

2011-01-01

This paper is an elementary introduction to particle diffusion in a medium where the coefficient of diffusion varies with position. The introduction is aimed at third-year university courses. We start from a simple model of particles hopping on a discrete lattice, in one or more dimensions, and then take the continuous-space limit so as to obtain…

Valuation of exotic options in the framework of Levy processes

NASA Astrophysics Data System (ADS)

Milev, Mariyan; Georgieva, Svetla; Markovska, Veneta

2013-12-01

In this paper we explore a straightforward procedure to price derivatives by using the Monte Carlo approach when the underlying process is a jump-diffusion. We have compared the Black-Scholes model with one of its extensions that is the Merton model. The latter model is better in capturing the market's phenomena and is comparative to stochastic volatility models in terms of pricing accuracy. We have presented simulations of asset paths and pricing of barrier options for both Geometric Brownian motion and exponential Levy processes as it is the concrete case of the Merton model. A desired level of accuracy is obtained with simple computer operations in MATLAB for efficient computational time.

Rocket exhaust ground cloud/atmospheric interactions

NASA Technical Reports Server (NTRS)

Hwang, B.; Gould, R. K.

1978-01-01

An attempt to identify and minimize the uncertainties and potential inaccuracies of the NASA Multilayer Diffusion Model (MDM) is performed using data from selected Titan 3 launches. The study is based on detailed parametric calculations using the MDM code and a comparative study of several other diffusion models, the NASA measurements, and the MDM. The results are discussed and evaluated. In addition, the physical/chemical processes taking place during the rocket cloud rise are analyzed. The exhaust properties and the deluge water effects are evaluated. A time-dependent model for two aerosol coagulations is developed and documented. Calculations using this model for dry deposition during cloud rise are made. A simple model for calculating physical properties such as temperature and air mass entrainment during cloud rise is also developed and incorporated with the aerosol model.

Glassy behaviour in simple kinetically constrained models: topological networks, lattice analogues and annihilation-diffusion

NASA Astrophysics Data System (ADS)

Sherrington, David; Davison, Lexie; Buhot, Arnaud; Garrahan, Juan P.

2002-02-01

We report a study of a series of simple model systems with only non-interacting Hamiltonians, and hence simple equilibrium thermodynamics, but with constrained dynamics of a type initially suggested by foams and idealized covalent glasses. We demonstrate that macroscopic dynamical features characteristic of real and more complex model glasses, such as two-time decays in energy and auto-correlation functions, arise from the dynamics and we explain them qualitatively and quantitatively in terms of annihilation-diffusion concepts and theory. The comparison is with strong glasses. We also consider fluctuation-dissipation relations and demonstrate subtleties of interpretation. We find no FDT breakdown when the correct normalization is chosen.

Interpretation of leaching data for cementitious waste forms using analytical solutions based on mass transport theory and empiricism

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

Spence, R.D.; Godbee, H.W.; Tallent, O.K.

1991-01-01

Despite the demonstrated importance of diffusion control in leaching, other mechanisms have been observed to play a role and leaching from porous solid bodies is not simple diffusion. Only simple diffusion theory has been developed well enough for extrapolation, as yet. The well developed diffusion theory, used in data analysis by ANSI/ANS-16.1 and the NEWBOX program, can help in trying to extrapolate and predict the performance of solidified waste forms over decades and centuries, but the limitations and increased uncertainty must be understood in so doing. Treating leaching as a semi-infinite medium problem, as done in the Cote model, resultsmore » in simpler equations, but limits, application to early leaching behavior when less than 20% of a given component has been leached. 18 refs., 2 tabs.« less

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Breakdown of the reaction-diffusion master equation with nonelementary rates

NASA Astrophysics Data System (ADS)

Smith, Stephen; Grima, Ramon

2016-05-01

The chemical master equation (CME) is the exact mathematical formulation of chemical reactions occurring in a dilute and well-mixed volume. The reaction-diffusion master equation (RDME) is a stochastic description of reaction-diffusion processes on a spatial lattice, assuming well mixing only on the length scale of the lattice. It is clear that, for the sake of consistency, the solution of the RDME of a chemical system should converge to the solution of the CME of the same system in the limit of fast diffusion: Indeed, this has been tacitly assumed in most literature concerning the RDME. We show that, in the limit of fast diffusion, the RDME indeed converges to a master equation but not necessarily the CME. We introduce a class of propensity functions, such that if the RDME has propensities exclusively of this class, then the RDME converges to the CME of the same system, whereas if the RDME has propensities not in this class, then convergence is not guaranteed. These are revealed to be elementary and nonelementary propensities, respectively. We also show that independent of the type of propensity, the RDME converges to the CME in the simultaneous limit of fast diffusion and large volumes. We illustrate our results with some simple example systems and argue that the RDME cannot generally be an accurate description of systems with nonelementary rates.

An electromechanical based deformable model for soft tissue simulation.

PubMed

Zhong, Yongmin; Shirinzadeh, Bijan; Smith, Julian; Gu, Chengfan

2009-11-01

Soft tissue deformation is of great importance to surgery simulation. Although a significant amount of research efforts have been dedicated to simulating the behaviours of soft tissues, modelling of soft tissue deformation is still a challenging problem. This paper presents a new deformable model for simulation of soft tissue deformation from the electromechanical viewpoint of soft tissues. Soft tissue deformation is formulated as a reaction-diffusion process coupled with a mechanical load. The mechanical load applied to a soft tissue to cause a deformation is incorporated into the reaction-diffusion system, and consequently distributed among mass points of the soft tissue. Reaction-diffusion of mechanical load and non-rigid mechanics of motion are combined to govern the simulation dynamics of soft tissue deformation. An improved reaction-diffusion model is developed to describe the distribution of the mechanical load in soft tissues. A three-layer artificial cellular neural network is constructed to solve the reaction-diffusion model for real-time simulation of soft tissue deformation. A gradient based method is established to derive internal forces from the distribution of the mechanical load. Integration with a haptic device has also been achieved to simulate soft tissue deformation with haptic feedback. The proposed methodology does not only predict the typical behaviours of living tissues, but it also accepts both local and large-range deformations. It also accommodates isotropic, anisotropic and inhomogeneous deformations by simple modification of diffusion coefficients.

A model of oscillatory transport in granular soils, with application to barometric pumping and earth tides.

PubMed

Neeper, D A

2001-04-01

A simple algebraic model is proposed to estimate the transport of a volatile or soluble chemical caused by oscillatory flow of fluid in a porous medium. The model is applied to the barometric pumping of vapors in the vadose zone, and to the transport of dissolved species by earth tides in an aquifer. In the model, the fluid moves sinusoidally with time in the porosity of the soil. The chemical concentration in the mobile fluid is considered to equilibrate with the concentration in the surrounding matrix according to a characteristic time governed by diffusion, sorption, or other rate processes. The model provides a closed form solution, to which barometric pressure data are applied in an example of pore gas motion in the vadose zone. The model predicts that the additional diffusivity due barometric pumping in an unfractured vadose zone would be comparable to the diffusivity in stagnant pore gas if the equilibration time is 1 day or longer. Water motion due to the M2 lunar tide is examined as an example of oscillatory transport in an aquifer. It is shown that the tidal motion of the water in an aquifer might significantly increase the vertical diffusivity of dissolved species when compared to diffusion in an absolutely stagnant aquifer, but the hydrodynamic dispersivity due to tidal motion or gravitational flow would probably exceed the diffusivity due to oscillatory advection.

Adsorption dynamics of methyl violet onto granulated mesoporous carbon: Facile synthesis and adsorption kinetics.

PubMed

Kim, Yohan; Bae, Jiyeol; Park, Hosik; Suh, Jeong-Kwon; You, Young-Woo; Choi, Heechul

2016-09-15

A new and facile one-step synthesis method for preparing granulated mesoporous carbon (GMC) with three-dimensional spherical mesoporous symmetry is prepared to remove large molecular weight organic compounds in aqueous phase. GMC is synthesized in a single step using as-synthesized mesoporous carbon particles and organic binders through a simple and economical synthesis approach involving a simultaneous calcination and carbonization process. Characterization results obtained from SEM, XRD, as well as surface and porosity analysis indicate that the synthesized GMC has similar physical properties to those of the powdered mesoporous carbon and maintains the Brunauer-Emmett-Teller (BET) surface area and pore volume because the new synthesis method prevents the collapse of the pores during the granulation process. Batch adsorption experiments revealed GMC showed a substantial adsorption capacity (202.8 mg/g) for the removal of methyl violet as a target large molecular contaminant in aqueous phase. The mechanisms and dynamics modeling of GMC adsorption were also fully examined, which revealed that surface diffusion was rate limiting step on adsorption process of GMC. Adsorption kinetics of GMC enables 3 times faster than that of granular activated carbon in terms of surface diffusion coefficient. This is the first study, to the best of our knowledge, to synthesize GMC as an adsorbent for water purification by using facile granulation method and to investigate the adsorption kinetics and characteristics of GMC. This study introduces a new and simple method for the synthesis of GMC and reveals its adsorption characteristics for large molecular compounds in a water treatment. Copyright © 2016 Elsevier Ltd. All rights reserved.

A 3-Component System of Competition and Diffusion.

DTIC Science & Technology

1983-08-01

assume * that the distribution of the populations are determined by competition of’ Lotka - Volterra - * Gause type and simple diffusion. Suppose ui(t,x...diffusive Lotka - Volterra system with three species can have a stable non-constant equilibrium solutions. J. Math. Biol., (in press). [7] Kishimoto, K., Mimura...M. and Yoshida, K., Stable spatlo-temporal oscillations of diffusive Lotka - Volterra systems with three or more species, to appear in J. Math. Biol

A model of return intervals between earthquake events

NASA Astrophysics Data System (ADS)

Zhou, Yu; Chechkin, Aleksei; Sokolov, Igor M.; Kantz, Holger

2016-06-01

Application of the diffusion entropy analysis and the standard deviation analysis to the time sequence of the southern California earthquake events from 1976 to 2002 uncovered scaling behavior typical for anomalous diffusion. However, the origin of such behavior is still under debate. Some studies attribute the scaling behavior to the correlations in the return intervals, or waiting times, between aftershocks or mainshocks. To elucidate a nature of the scaling, we applied specific reshulffling techniques to eliminate correlations between different types of events and then examined how it affects the scaling behavior. We demonstrate that the origin of the scaling behavior observed is the interplay between mainshock waiting time distribution and the structure of clusters of aftershocks, but not correlations in waiting times between the mainshocks and aftershocks themselves. Our findings are corroborated by numerical simulations of a simple model showing a very similar behavior. The mainshocks are modeled by a renewal process with a power-law waiting time distribution between events, and aftershocks follow a nonhomogeneous Poisson process with the rate governed by Omori's law.

Frontside-micromachined planar piezoresistive vibration sensor: Evaluating performance in the low frequency test range

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

Zhang, Lan; Lu, Jian, E-mail: jian-lu@aist.go.jp; Takagi, Hideki

2014-01-15

Using a surface piezoresistor diffusion method and front-side only micromachining process, a planar piezoresistive vibration sensor was successfully developed with a simple structure, lower processing cost and fewer packaging difficulties. The vibration sensor had a large sector proof mass attached to a narrow flexure. Optimization of the boron diffusion piezoresistor placed on the edge of the narrow flexure greatly improved the sensitivity. Planar vibration sensors were fabricated and measured in order to analyze the effects of the sensor dimensions on performance, including the values of flexure width and the included angle of the sector. Sensitivities of fabricated planar sensors ofmore » 0.09–0.46 mV/V/g were measured up to a test frequency of 60 Hz. The sensor functioned at low voltages (<3 V) and currents (<1 mA) with a high sensitivity and low drift. At low background noise levels, the sensor had performance comparable to a commercial device.« less

Bubbles in an acoustic field: an overview.

PubMed

Ashokkumar, Muthupandian; Lee, Judy; Kentish, Sandra; Grieser, Franz

2007-04-01

Acoustic cavitation is the fundamental process responsible for the initiation of most of the sonochemical reactions in liquids. Acoustic cavitation originates from the interaction between sound waves and bubbles. In an acoustic field, bubbles can undergo growth by rectified diffusion, bubble-bubble coalescence, bubble dissolution or bubble collapse leading to the generation of primary radicals and other secondary chemical reactions. Surface active solutes have been used in association with a number of experimental techniques in order to isolate and understand these activities. A strobe technique has been used for monitoring the growth of a single bubble by rectified diffusion. Multibubble sonoluminescence has been used for monitoring the growth of the bubbles as well as coalescence between bubbles. The extent of bubble coalescence has also been monitored using a newly developed capillary technique. An overview of the various experimental results has been presented in order to highlight the complexities involved in acoustic cavitation processes, which on the other hand arise from a simple, mechanical interaction between sound waves and bubbles.

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.

Design and laboratory testing of a chamber device to measure total flux of volatile organic compounds from the unsaturated zone under natural conditions.

PubMed

Tillman, Fred D; Smith, James A

2004-11-01

To determine if an aquifer contaminated with volatile organic compounds (VOCs) has potential for natural remediation, all natural processes affecting the fate and transport of VOCs in the subsurface must be identified and quantified. This research addresses the quantification of air-phase volatile organic compounds (VOCs) leaving the unsaturated zone soil gas and entering the atmosphere-including the additional flux provided by advective soil-gas movement induced by barometric pumping. A simple and easy-to-use device for measuring VOC flux under natural conditions is presented. The vertical flux chamber (VFC) was designed using numerical simulations and evaluated in the laboratory. Mass-balance numerical simulations based on continuously stirred tank reactor equations (CSTR) provided information on flux measurement performance of several sampling configurations with the final chamber configuration measuring greater than 96% of model-simulated fluxes. A laboratory device was constructed to evaluate the flux chamber under both diffusion-only and advection-plus-diffusion transport conditions. The flux chamber measured an average of 82% of 15 diffusion-only fluxes and an average of 95% of 15 additional advection-plus-diffusion flux experiments. The vertical flux chamber has the capability of providing reliable measurement of VOC flux from the unsaturated zone under both diffusion and advection transport conditions.

A Numerical Method for the Simulation of Skew Brownian Motion and its Application to Diffusive Shock Acceleration of Charged Particles

NASA Astrophysics Data System (ADS)

McEvoy, Erica L.

Stochastic differential equations are becoming a popular tool for modeling the transport and acceleration of cosmic rays in the heliosphere. In diffusive shock acceleration, cosmic rays diffuse across a region of discontinuity where the up- stream diffusion coefficient abruptly changes to the downstream value. Because the method of stochastic integration has not yet been developed to handle these types of discontinuities, I utilize methods and ideas from probability theory to develop a conceptual framework for the treatment of such discontinuities. Using this framework, I then produce some simple numerical algorithms that allow one to incorporate and simulate a variety of discontinuities (or boundary conditions) using stochastic integration. These algorithms were then modified to create a new algorithm which incorporates the discontinuous change in diffusion coefficient found in shock acceleration (known as Skew Brownian Motion). The originality of this algorithm lies in the fact that it is the first of its kind to be statistically exact, so that one obtains accuracy without the use of approximations (other than the machine precision error). I then apply this algorithm to model the problem of diffusive shock acceleration, modifying it to incorporate the additional effect of the discontinuous flow speed profile found at the shock. A steady-state solution is obtained that accurately simulates this phenomenon. This result represents a significant improvement over previous approximation algorithms, and will be useful for the simulation of discontinuous diffusion processes in other fields, such as biology and finance.

Graphene-based porous silica sheets impregnated with polyethyleneimine for superior CO2 capture.

PubMed

Yang, Shubin; Zhan, Liang; Xu, Xiaoyue; Wang, Yanli; Ling, Licheng; Feng, Xinliang

2013-04-18

It is demonstrated that graphene-based porous silica sheets can serve as an efficient carrier support for PEI via a simple nanocasting technology. The resulting materials possess thin nature, high PEI loading content and high thermal-conductivity. Such features are favorable for the efficient diffusion and adsorption of CO2 as well as the rapid thermal transfer during the CO2 capture process. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mean first-passage times of non-Markovian random walkers in confinement.

PubMed

Guérin, T; Levernier, N; Bénichou, O; Voituriez, R

2016-06-16

The first-passage time, defined as the time a random walker takes to reach a target point in a confining domain, is a key quantity in the theory of stochastic processes. Its importance comes from its crucial role in quantifying the efficiency of processes as varied as diffusion-limited reactions, target search processes or the spread of diseases. Most methods of determining the properties of first-passage time in confined domains have been limited to Markovian (memoryless) processes. However, as soon as the random walker interacts with its environment, memory effects cannot be neglected: that is, the future motion of the random walker does not depend only on its current position, but also on its past trajectory. Examples of non-Markovian dynamics include single-file diffusion in narrow channels, or the motion of a tracer particle either attached to a polymeric chain or diffusing in simple or complex fluids such as nematics, dense soft colloids or viscoelastic solutions. Here we introduce an analytical approach to calculate, in the limit of a large confining volume, the mean first-passage time of a Gaussian non-Markovian random walker to a target. The non-Markovian features of the dynamics are encompassed by determining the statistical properties of the fictitious trajectory that the random walker would follow after the first-passage event takes place, which are shown to govern the first-passage time kinetics. This analysis is applicable to a broad range of stochastic processes, which may be correlated at long times. Our theoretical predictions are confirmed by numerical simulations for several examples of non-Markovian processes, including the case of fractional Brownian motion in one and higher dimensions. These results reveal, on the basis of Gaussian processes, the importance of memory effects in first-passage statistics of non-Markovian random walkers in confinement.

Mean first-passage times of non-Markovian random walkers in confinement

NASA Astrophysics Data System (ADS)

Guérin, T.; Levernier, N.; Bénichou, O.; Voituriez, R.

2016-06-01

The first-passage time, defined as the time a random walker takes to reach a target point in a confining domain, is a key quantity in the theory of stochastic processes. Its importance comes from its crucial role in quantifying the efficiency of processes as varied as diffusion-limited reactions, target search processes or the spread of diseases. Most methods of determining the properties of first-passage time in confined domains have been limited to Markovian (memoryless) processes. However, as soon as the random walker interacts with its environment, memory effects cannot be neglected: that is, the future motion of the random walker does not depend only on its current position, but also on its past trajectory. Examples of non-Markovian dynamics include single-file diffusion in narrow channels, or the motion of a tracer particle either attached to a polymeric chain or diffusing in simple or complex fluids such as nematics, dense soft colloids or viscoelastic solutions. Here we introduce an analytical approach to calculate, in the limit of a large confining volume, the mean first-passage time of a Gaussian non-Markovian random walker to a target. The non-Markovian features of the dynamics are encompassed by determining the statistical properties of the fictitious trajectory that the random walker would follow after the first-passage event takes place, which are shown to govern the first-passage time kinetics. This analysis is applicable to a broad range of stochastic processes, which may be correlated at long times. Our theoretical predictions are confirmed by numerical simulations for several examples of non-Markovian processes, including the case of fractional Brownian motion in one and higher dimensions. These results reveal, on the basis of Gaussian processes, the importance of memory effects in first-passage statistics of non-Markovian random walkers in confinement.

Cu-Zn binary phase diagram and diffusion couples

NASA Technical Reports Server (NTRS)

Mccoy, Robert A.

1992-01-01

The objectives of this paper are to learn: (1) what information a binary phase diagram can yield; (2) how to construct and heat treat a simple diffusion couple; (3) how to prepare a metallographic sample; (4) how to operate a metallograph; (5) how to correlate phases found in the diffusion couple with phases predicted by the phase diagram; (6) how diffusion couples held at various temperatures could be used to construct a phase diagram; (7) the relation between the thickness of an intermetallic phase layer and the diffusion time; and (8) the effect of one species of atoms diffusing faster than another species in a diffusion couple.

Generalized moment analysis of magnetic field correlations for accumulations of spherical and cylindrical magnetic pertubers

NASA Astrophysics Data System (ADS)

Kurz, Felix; Kampf, Thomas; Buschle, Lukas; Schlemmer, Heinz-Peter; Bendszus, Martin; Heiland, Sabine; Ziener, Christian

2016-12-01

In biological tissue, an accumulation of similarly shaped objects with a susceptibility difference to the surrounding tissue generates a local distortion of the external magnetic field in magnetic resonance imaging. It induces stochastic field fluctuations that characteristically influence proton spin diffusion in the vicinity of these magnetic perturbers. The magnetic field correlation that is associated with such local magnetic field inhomogeneities can be expressed in the form of a dynamic frequency autocorrelation function that is related to the time evolution of the measured magnetization. Here, an eigenfunction expansion for two simple magnetic perturber shapes, that of spheres and cylinders, is considered for restricted spin diffusion in a simple model geometry. Then, the concept of generalized moment analysis, an approximation technique that is applied in the study of (non-)reactive processes that involve Brownian motion, allows to provide analytical expressions for the correlation function for different exponential decay forms. Results for the biexponential decay for both spherical and cylindrical magnetized objects are derived and compared with the frequently used (less accurate) monoexponential decay forms. They are in asymptotic agreement with the numerically exact value of the correlation function for long and short times.

Molecular-dynamics simulation of mutual diffusion in nonideal liquid mixtures

NASA Astrophysics Data System (ADS)

Rowley, R. L.; Stoker, J. M.; Giles, N. F.

1991-05-01

The mutual-diffusion coefficients, D 12, of n-hexane, n-heptane, and n-octane in chloroform were modeled using equilibrium molecular-dynamics (MD) simulations of simple Lennard-Jones (LJ) fluids. Pure-component LJ parameters were obtained by comparison of simulations to experimental self-diffusion coefficients. While values of “effective” LJ parameters are not expected to simulate accurately diverse thermophysical properties over a wide range of conditions, it was recently shown that effective parameters obtained from pure self-diffusion coefficients can accurately model mutual diffusion in ideal, liquid mixtures. In this work, similar simulations are used to model diffusion in nonideal mixtures. The same combining rules used in the previous study for the cross-interaction parameters were found to be adequate to represent the composition dependence of D 12. The effect of alkane chain length on D 12 is also correctly predicted by the simulations. A commonly used assumption in empirical correlations of D 12, that its kinetic portion is a simple, compositional average of the intradiffusion coefficients, is inconsistent with the simulation results. In fact, the value of the kinetic portion of D 12 was often outside the range of values bracketed by the two intradiffusion coefficients for the nonideal system modeled here.

Fluorescence Diffusion in the Presence of Optically Clear Tissues in a Mouse Head Model.

PubMed

Ancora, Daniele; Zacharopoulos, Athanasios; Ripoll, Jorge; Zacharakis, Giannis

2017-05-01

Diffuse Optical Tomography commonly neglects or assumes as insignificant the presence of optically clear regions in biological tissues, estimating their contribution as a small perturbation to light transport. The inaccuracy introduced by this practice is examined in detail in the context of a complete, based on realistic geometry, virtual fluorescence Diffuse Optical Tomography experiment where a mouse head is imaged in the presence of cerebral spinal fluid. Despite the small thickness of such layer, we point out that an error is introduced when neglecting it from the model with possibly reduction in the accuracy of the reconstruction and localization of the fluorescence distribution within the brain. The results obtained in the extensive study presented here suggest that fluorescence diffuse neuroimaging studies can be improved in terms of quantitative and qualitative reconstruction by accurately taking into account optically transparent regions especially in the cases where the reconstruction is aided by the prior knowledge of the structural geometry of the specimen. Thus, this has only recently become an affordable choice, thanks to novel computation paradigms that allow to run Monte Carlo photon propagation on a simple graphic card, hence speeding up the process a thousand folds compared to CPU-based solutions.

Quantitative confirmation of diffusion-limited oxidation theories

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

Gillen, K.T.; Clough, R.L.

1990-01-01

Diffusion-limited (heterogeneous) oxidation effects are often important for studies of polymer degradation. Such effects are common in polymers subjected to ionizing radiation at relatively high dose rate. To better understand the underlying oxidation processes and to aid in the planning of accelerated aging studies, it would be desirable to be able to monitor and quantitatively understand these effects. In this paper, we briefly review a theoretical diffusion approach which derives model profiles for oxygen surrounded sheets of material by combining oxygen permeation rates with kinetically based oxygen consumption expressions. The theory leads to a simple governing expression involving the oxygenmore » consumption and permeation rates together with two model parameters {alpha} and {beta}. To test the theory, gamma-initiated oxidation of a sheet of commercially formulated EPDM rubber was performed under conditions which led to diffusion-limited oxidation. Profile shapes from the theoretical treatments are shown to accurately fit experimentally derived oxidation profiles. In addition, direct measurements on the same EPDM material of the oxygen consumption and permeation rates, together with values of {alpha} and {beta} derived from the fitting procedure, allow us to quantitatively confirm for the first time the governing theoretical relationship. 17 refs., 3 figs.« less

Favorite Demonstrations: Gaseous Diffusion: A Demonstration of Graham's Law.

ERIC Educational Resources Information Center

Kauffman, George B.; Ebner, Ronald D.

1985-01-01

Describes a demonstration in which gaseous ammonia and hydrochloric acid are used to illustrate rates of diffusion (Graham's Law). Simple equipment needed for the demonstration include a long tube, rubber stoppes, and cotton. Two related demonstrations are also explained. (DH)

Demonstrating Diffusion

ERIC Educational Resources Information Center

Foy, Barry G.

1977-01-01

Two demonstrations are described. Materials and instructions for demonstrating movement of molecules into cytoplasm using agar blocks, phenolphthalein, and sodium hydroxide are given. A simple method for demonstrating that the rate of diffusion of a gas is inversely proportional to its molecular weight is also presented. (AJ)

A Simple Demonstration of Convective Effects on Reaction-Diffusion Systems: A Burning Cigarette.

ERIC Educational Resources Information Center

Pojman, John A.

1990-01-01

Described is a demonstration that provides an introduction to nonequilibrium reaction-diffusion systems and the coupling of hydrodynamics to chemical reactions. Experiments that demonstrate autocatalytic behavior that are effected by gravity and convection are included. (KR)

Diffusing aviation innovations in a hospital in The Netherlands.

PubMed

de Korne, Dirk F; van Wijngaarden, Jeroen D H; Hiddema, U Frans; Bleeker, Fred G; Pronovost, Peter J; Klazinga, Niek S

2010-08-01

Many authors have advocated the diffusion of innovations from other high-risk industries into health care to improve safety. The aviation industry is comparable to health care because of its similarities in (a) the use of technology, (b) the requirement of highly specialized professional teams, and (c) the existence of risk and uncertainties. For almost 20 years, The Rotterdam Eye Hospital (Rotterdam, the Netherlands) has been engaged in diffusing several innovations adapted from aviation. A case-study methodology was used to assess the application of innovations in the hospital, with a focus on the context and the detailed mechanism for each innovation. Data on hospital performance outcomes were abstracted from the hospital information data management system, quality and safety reports, and the incident reporting system. Information on the innovations was obtained from a document search; observations; and semistructured, face-to-face interviews. Aviation industry-based innovations diffused into patient care processes were as follows: patient planning and booking system, taxi service/valet parking, risk analysis (as applied to wrong-site surgery), time-out procedure (also for wrong-site surgery), Crew Resource Management training, and black box. Observations indicated that the innovations had a positive effect on quality and safety in the hospital: Waiting times were reduced, work processes became more standardized, the number of wrong-site surgeries decreased, and awareness of patient safety was heightened. A near-20-year experience with aviation-based innovation suggests that hospitals start with relatively simple innovations and use a systematic approach toward the goal of improving safety.

CFD simulation of simultaneous monotonic cooling and surface heat transfer coefficient

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

Mihálka, Peter, E-mail: usarmipe@savba.sk; Matiašovský, Peter, E-mail: usarmat@savba.sk

The monotonic heating regime method for determination of thermal diffusivity is based on the analysis of an unsteady-state (stabilised) thermal process characterised by an independence of the space-time temperature distribution on initial conditions. At the first kind of the monotonic regime a sample of simple geometry is heated / cooled at constant ambient temperature. The determination of thermal diffusivity requires the determination rate of a temperature change and simultaneous determination of the first eigenvalue. According to a characteristic equation the first eigenvalue is a function of the Biot number defined by a surface heat transfer coefficient and thermal conductivity ofmore » an analysed material. Knowing the surface heat transfer coefficient and the first eigenvalue the thermal conductivity can be determined. The surface heat transport coefficient during the monotonic regime can be determined by the continuous measurement of long-wave radiation heat flow and the photoelectric measurement of the air refractive index gradient in a boundary layer. CFD simulation of the cooling process was carried out to analyse local convective and radiative heat transfer coefficients more in detail. Influence of ambient air flow was analysed. The obtained eigenvalues and corresponding surface heat transfer coefficient values enable to determine thermal conductivity of the analysed specimen together with its thermal diffusivity during a monotonic heating regime.« less

Study of the Formation and Evolution of Precipitation Induced Sea Surface Salinity Minima in the Tropical Pacific Using HYCOM

NASA Astrophysics Data System (ADS)

Gallagher, R. L.

2016-02-01

During heavy rain events in the tropics, areas of relatively low salinity water collect on the ocean surface. Rainfall events increase the buoyancy of the ocean surface and impact upper ocean salinity and temperature profiles. This resists downward mixing and as a result can persist (SPURS II planning group, 2012; Oceanography 28(1) 150-159). Salinity at the surface adjusts through advective and diffusive mixing processes (Scott, J. et al, 2013; AGU Fall meeting abstracts). This project investigates the upper ocean salinity response in both advection and diffusion dominated regions. The changes in ocean surface salinity are tracked before, during, and after rainfall events. Data from a standard oceanographic model, HYCOM, are used to identify areas where each surface process is significant. Rainfall events are identified using a TRMM dataset. It provides a tropical rainfall analysis which uses amalgamated satellite data to develop detailed global precipitation grids between 50 o north and south latitude. TRMM is useful due its high temporal and spatial resolutions. The salinity response in HYCOM is tested against simple theoretical advective and diffusive mixing models. The magnitude of sea surface salinity minima, their persistence and the precision by which HYCOM can resolve these phenomena are of interest.

Migration of the guinea pig sperm membrane protein PH-20 from one localized surface domain to another does not occur by a simple diffusion-trapping mechanism.

PubMed

Cowan, A E; Myles, D G; Koppel, D E

1991-03-01

The redistribution of membrane proteins on the surface of cells is a prevalent feature of differentiation in a variety of cells. In most cases the mechanism responsible for such redistribution is poorly understood. Two potential mechanisms for the redistribution of surface proteins are: (1) passive diffusion coupled with trapping, and (2) active translocation. We have studied the process of membrane protein redistribution for the PH-20 protein of guinea pig sperm, a surface protein required for sperm binding to the egg zona pellucida (P. Primakoff, H. Hyatt, and D. G. Myles (1985). J. Cell Biol. 101, 2239-2244). PH-20 protein is localized to the posterior head plasma menbrane of the mature sperm cell. Following the exocytotic acrosome reaction, PH-20 protein moves into the newly incorporated inner acrosomal membrane (IAM), placing it in a position favorable for a role in binding sperm to the egg zona pellucida (D. G. Myles, and P. Primakoff (1984), J. Cell Biol. 99, 1634-1641). To analyze the mechanistic basis for this protein migration, we have used fluorescence microscopy and digital image processing to characterize PH-20 protein migration in individual cells. PH-20 protein was observed to move against a concentration gradient in the posterior head plasma membrane. This result argues strongly against a model of passive diffusion followed by trapping in the IAM, and instead suggests that an active process serves to concentrate PH-20 protein toward the boundary separating the posterior head and IAM regions. A transient gradient of PH-20 concentration observed in the IAM suggests that once PH-20 protein reaches the IAM, it is freely diffusing. Additionally, we observed that migration of PH-20 protein was calcium dependent.

An entropic barriers diffusion theory of decision-making in multiple alternative tasks

PubMed Central

Sigman, Mariano; Cecchi, Guillermo A.

2018-01-01

We present a theory of decision-making in the presence of multiple choices that departs from traditional approaches by explicitly incorporating entropic barriers in a stochastic search process. We analyze response time data from an on-line repository of 15 million blitz chess games, and show that our model fits not just the mean and variance, but the entire response time distribution (over several response-time orders of magnitude) at every stage of the game. We apply the model to show that (a) higher cognitive expertise corresponds to the exploration of more complex solution spaces, and (b) reaction times of users at an on-line buying website can be similarly explained. Our model can be seen as a synergy between diffusion models used to model simple two-choice decision-making and planning agents in complex problem solving. PMID:29499036

Moist, Double-diffusive convection

NASA Astrophysics Data System (ADS)

Oishi, Jeffrey; Burns, Keaton; Brown, Ben; Lecoanet, Daniel; Vasil, Geoffrey

2017-11-01

Double-diffusive convection occurs when the competition between stabilizing and a destabilizing buoyancy source is mediated by a difference in the diffusivity of each source. Such convection is important in a wide variety of astrophysical and geophysical flows. However, in giant planets, double-diffusive convection occurs in regions where condensation of important components of the atmosphere occurs. Here, we present preliminary calculations of moist, double-diffusive convection using the Dedalus pseudospectral framework. Using a simple model for phase change, we verify growth rates for moist double diffusive convection from linear calculations and report on preliminary relationships between the ability to form liquid phase and the resulting Nusselt number in nonlinear simulations.

The transition probability and the probability for the left-most particle's position of the q-totally asymmetric zero range process

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

Korhonen, Marko; Lee, Eunghyun

2014-01-15

We treat the N-particle zero range process whose jumping rates satisfy a certain condition. This condition is required to use the Bethe ansatz and the resulting model is the q-boson model by Sasamoto and Wadati [“Exact results for one-dimensional totally asymmetric diffusion models,” J. Phys. A 31, 6057–6071 (1998)] or the q-totally asymmetric zero range process (TAZRP) by Borodin and Corwin [“Macdonald processes,” Probab. Theory Relat. Fields (to be published)]. We find the explicit formula of the transition probability of the q-TAZRP via the Bethe ansatz. By using the transition probability we find the probability distribution of the left-most particle'smore » position at time t. To find the probability for the left-most particle's position we find a new identity corresponding to identity for the asymmetric simple exclusion process by Tracy and Widom [“Integral formulas for the asymmetric simple exclusion process,” Commun. Math. Phys. 279, 815–844 (2008)]. For the initial state that all particles occupy a single site, the probability distribution of the left-most particle's position at time t is represented by the contour integral of a determinant.« less

Universal sensitivity of speckle intensity correlations to wavefront change in light diffusers

PubMed Central

Kim, KyungDuk; Yu, Hyeonseung; Lee, KyeoReh; Park, YongKeun

2017-01-01

Here, we present a concept based on the realization that a complex medium can be used as a simple interferometer. Changes in the wavefront of an incident coherent beam can be retrieved by analyzing changes in speckle patterns when the beam passes through a light diffuser. We demonstrate that the spatial intensity correlations of the speckle patterns are independent of the light diffusers, and are solely determined by the phase changes of an incident beam. With numerical simulations using the random matrix theory, and an experimental pressure-driven wavefront-deforming setup using a microfluidic channel, we theoretically and experimentally confirm the universal sensitivity of speckle intensity correlations, which is attributed to the conservation of optical field correlation despite multiple light scattering. This work demonstrates that a light diffuser works as a simple interferometer, and presents opportunities to retrieve phase information of optical fields with a compact scattering layer in various applications in metrology, analytical chemistry, and biomedicine. PMID:28322268

Relations de Dispersion et Diffusion des Glueballs et des Mesons dans la Theorie de Jauge U(1)(2+1) Compacte

NASA Astrophysics Data System (ADS)

Ahmed, Chaara El Mouez

Nous avons etudie les relations de dispersion et la diffusion des glueballs et des mesons dans le modele U(1)_{2+1} compact. Ce modele a ete souvent utilise comme un simple modele de la chromodynamique quantique (QCD), parce qu'il possede le confinement ainsi que les etats de glueballs. Par contre, sa structure mathematique est beaucoup plus simple que la QCD. Notre methode consiste a diagonaliser l'Hamiltonien de ce modele dans une base appropriee de graphes et sur reseau impulsion, afin de generer les relations de dispersion des glueballs et des mesons. Pour la diffusion, nous avons utilise la methode dependante du temps pour calculer la matrice S et la section efficace de diffusion des glueballs et des mesons. Les divers resultats obtenus semblent etre en accord avec les travaux anterieurs de Hakim, Alessandrini et al., Irving et al., qui eux, utilisent plutot la theorie des perturbations en couplage fort, et travaillent sur un reseau espace-temps.

Numerical simulation model of hyperacute/acute stage white matter infarction.

PubMed

Sakai, Koji; Yamada, Kei; Oouchi, Hiroyuki; Nishimura, Tsunehiko

2008-01-01

Although previous studies have revealed the mechanisms of changes in diffusivity (apparent diffusion coefficient [ADC]) in acute brain infarction, changes in diffusion anisotropy (fractional anisotropy [FA]) in white matter have not been examined. We hypothesized that membrane permeability as well as axonal swelling play important roles, and we therefore constructed a simulation model using random walk simulation to replicate the diffusion of water molecules. We implemented a numerical diffusion simulation model of normal and infarcted human brains using C++ language. We constructed this 2-pool model using simple tubes aligned in a single direction. Random walk simulation diffused water. Axon diameters and membrane permeability were then altered in step-wise fashion. To estimate the effects of axonal swelling, axon diameters were changed from 6 to 10 microm. Membrane permeability was altered from 0% to 40%. Finally, both elements were combined to explain increasing FA in the hyperacute stage of white matter infarction. The simulation demonstrated that simple water shift into the intracellular space reduces ADC and increases FA, but not to the extent expected from actual human cases (ADC approximately 50%; FA approximately +20%). Similarly, membrane permeability alone was insufficient to explain this phenomenon. However, a combination of both factors successfully replicated changes in diffusivity indices. Both axonal swelling and reduced membrane permeability appear important in explaining changes in ADC and FA based on eigenvalues in hyperacute-stage white matter infarction.

The Gini coefficient: a methodological pilot study to assess fetal brain development employing postmortem diffusion MRI.

PubMed

Viehweger, Adrian; Riffert, Till; Dhital, Bibek; Knösche, Thomas R; Anwander, Alfred; Stepan, Holger; Sorge, Ina; Hirsch, Wolfgang

2014-10-01

Diffusion-weighted imaging (DWI) is important in the assessment of fetal brain development. However, it is clinically challenging and time-consuming to prepare neuromorphological examinations to assess real brain age and to detect abnormalities. To demonstrate that the Gini coefficient can be a simple, intuitive parameter for modelling fetal brain development. Postmortem fetal specimens(n = 28) were evaluated by diffusion-weighted imaging (DWI) on a 3-T MRI scanner using 60 directions, 0.7-mm isotropic voxels and b-values of 0, 150, 1,600 s/mm(2). Constrained spherical deconvolution (CSD) was used as the local diffusion model. Fractional anisotropy (FA), apparent diffusion coefficient (ADC) and complexity (CX) maps were generated. CX was defined as a novel diffusion metric. On the basis of those three parameters, the Gini coefficient was calculated. Study of fetal brain development in postmortem specimens was feasible using DWI. The Gini coefficient could be calculated for the combination of the three diffusion parameters. This multidimensional Gini coefficient correlated well with age (Adjusted R(2) = 0.59) between the ages of 17 and 26 gestational weeks. We propose a new method that uses an economics concept, the Gini coefficient, to describe the whole brain with one simple and intuitive measure, which can be used to assess the brain's developmental state.

Diffusion of aqueous solutions of ionic, zwitterionic, and polar solutes

NASA Astrophysics Data System (ADS)

Teng, Xiaojing; Huang, Qi; Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

2018-06-01

The properties of aqueous solutions of ionic, zwitterionic, and polar solutes are of interest to many fields. For instance, one of the many anomalous properties of aqueous solutions is the behavior of water diffusion in different monovalent salt solutions. In addition, solutes can affect the stabilities of macromolecules such as proteins in aqueous solution. Here, the diffusivities of aqueous solutions of sodium chloride, potassium chloride, tri-methylamine oxide (TMAO), urea, and TMAO-urea are examined in molecular dynamics simulations. The decrease in the diffusivity of water with the concentration of simple ions and urea can be described by a simple model in which the water molecules hydrogen bonded to the solutes are considered to diffuse at the same rate as the solutes, while the remainder of the water molecules are considered to be bulk and diffuse at almost the same rate as pure water. On the other hand, the decrease in the diffusivity of water with the concentration of TMAO is apparently affected by a decrease in the diffusion rate of the bulk water molecules in addition to the decrease due to the water molecules hydrogen bonded to TMAO. In other words, TMAO enhances the viscosity of water, while urea barely affects it. Overall, this separation of water molecules into those that are hydrogen bonded to solute and those that are bulk can provide a useful means of understanding the short- and long-range effects of solutes on water.

Ion-Exchange Interdiffusion Model with Potential Application to Long-Term Nuclear Waste Glass Performance

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

Neeway, James Joseph; Kerisit, Sebastien N.; Liu, Jia

2016-05-05

Abstract: Ion exchange is an integral mechanism influencing the corrosion of glasses. Due to the formation of alteration layers in aqueous conditions, it is difficult to conclusively deconvolute the process of ion exchange from other processes, principally dissolution of the glass matrix. Therefore, we have developed a method to isolate alkali diffusion that involves contacting glass coupons with a solution of 6LiCl dissolved in functionally inert dimethyl sulfoxide. We employ the method at temperatures ranging from 25 to 150 °C with various glass formulations. Glass compositions include simulant nuclear waste glasses, such as SON68 and the international simple glass (ISG),more » glasses in which the nature of the alkali element was varied, and glasses that contained more than one alkali element. An interdiffusion model based on Fick’s second law was developed and applied to all experiments to extract diffusion coefficients. The model expands established models of interdiffusion to the case where multiple types of alkali sites are present in the glass. Activation energies for alkali ion exchange were calculated and the results are in agreement with those obtained in glass strengthening experiments but are nearly five times higher than values reported for diffusion-controlled processes in nuclear waste glass corrosion experiments. A discussion of the root causes for this apparent discrepancy is provided. The interdiffusion model derived from laboratory experiments is expected to be useful for modeling glass corrosion in a geological repository when the silicon concentration is high.« less

Effects of image distortions originating from susceptibility variations and concomitant fields on diffusion MRI tractography results

PubMed Central

Irfanoglu, M. Okan; Walker, Lindsay; Sarlls, Joelle; Marenco, Stefano; Pierpaoli, Carlo

2013-01-01

In this work we investigate the effects of echo planar imaging (EPI) distortions on diffusion tensor imaging (DTI) based fiber tractography results. We propose a simple experimental framework that would enable assessing the effects of EPI distortions on the accuracy and reproducibility of fiber tractography from a pilot study on a few subjects. We compare trajectories computed from two diffusion datasets collected on each subject that are identical except for the orientation of phase encode direction, either right–left (RL) or anterior–posterior (AP). We define metrics to assess potential discrepancies between RL and AP trajectories in association, commissural, and projection pathways. Results from measurements on a 3 Tesla clinical scanner indicated that the effects of EPI distortions on computed fiber trajectories are statistically significant and large in magnitude, potentially leading to erroneous inferences about brain connectivity. The correction of EPI distortion using an image-based registration approach showed a significant improvement in tract consistency and accuracy. Although obtained in the context of a DTI experiment, our findings are generally applicable to all EPI-based diffusion MRI tractography investigations, including high angular resolution (HARDI) methods. On the basis of our findings, we recommend adding an EPI distortion correction step to the diffusion MRI processing pipeline if the output is to be used for fiber tractography. PMID:22401760

Angular intensity and polarization dependence of diffuse transmission through random media

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

Eliyahu, D.; Rosenbluh, M.; Feund, I.

1993-03-01

A simple theoretical model involving only a single sample parameter, the depolarization ratio [rho] for linearly polarized normally incident and normally scattered light, is developed to describe the angular intensity and all other polarization-dependent properties of diffuse transmission through multiple-scattering media. Initial experimental results that tend to support the theory are presented. Results for diffuse reflection are also described. 63 refs., 15 figs.

Single-particle trajectories reveal two-state diffusion-kinetics of hOGG1 proteins on DNA.

PubMed

Vestergaard, Christian L; Blainey, Paul C; Flyvbjerg, Henrik

2018-03-16

We reanalyze trajectories of hOGG1 repair proteins diffusing on DNA. A previous analysis of these trajectories with the popular mean-squared-displacement approach revealed only simple diffusion. Here, a new optimal estimator of diffusion coefficients reveals two-state kinetics of the protein. A simple, solvable model, in which the protein randomly switches between a loosely bound, highly mobile state and a tightly bound, less mobile state is the simplest possible dynamic model consistent with the data. It yields accurate estimates of hOGG1's (i) diffusivity in each state, uncorrupted by experimental errors arising from shot noise, motion blur and thermal fluctuations of the DNA; (ii) rates of switching between states and (iii) rate of detachment from the DNA. The protein spends roughly equal time in each state. It detaches only from the loosely bound state, with a rate that depends on pH and the salt concentration in solution, while its rates for switching between states are insensitive to both. The diffusivity in the loosely bound state depends primarily on pH and is three to ten times higher than in the tightly bound state. We propose and discuss some new experiments that take full advantage of the new tools of analysis presented here.

Modelling Polymer Deformation and Welding Behaviour during 3D Printing

NASA Astrophysics Data System (ADS)

McIlroy, Claire; Olmsted, Peter

2016-11-01

3D printing has the potential to transform manufacturing processes, yet improving the strength of printed parts, to equal that of traditionally-manufactured parts, remains an underlying issue. The most common method, fused deposition modelling, involves melting a thermoplastic, followed by layer-by-layer extrusion of the material to fabricate a three-dimensional object. The key to the ensuring strength at the weld between these layers is successful inter-diffusion. However, as the printed layer cools towards the glass transition temperature, the time available for diffusion is limited. In addition, the extrusion process significantly deforms the polymer micro-structure prior to welding and consequently affects how the polymers "re-entangle" across the weld. We have developed a simple model of the non-isothermal printing process to explore the effects that typical printing conditions and amorphous polymer rheology have on the ultimate weld structure. In particular, we incorporate both the stretch and orientation of the polymer using the Rolie-Poly constitutive equation to examine how the melt flows through the nozzle and is deposited onto the build plate. We then address how this deformation relaxes and contributes to the thickness and structure of the weld. National Institute for Standards and Technology (NIST) and Georgetown University.

Regimes of stability and scaling relations for the removal time in the asteroid belt: a simple kinetic model and numerical tests

NASA Astrophysics Data System (ADS)

Cubrovic, Mihailo

2005-02-01

We report on our theoretical and numerical results concerning the transport mechanisms in the asteroid belt. We first derive a simple kinetic model of chaotic diffusion and show how it gives rise to some simple correlations (but not laws) between the removal time (the time for an asteroid to experience a qualitative change of dynamical behavior and enter a wide chaotic zone) and the Lyapunov time. The correlations are shown to arise in two different regimes, characterized by exponential and power-law scalings. We also show how is the so-called “stable chaos” (exponential regime) related to anomalous diffusion. Finally, we check our results numerically and discuss their possible applications in analyzing the motion of particular asteroids.

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.

PubMed

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.

Three-dimensional Diffusive Strip Method

NASA Astrophysics Data System (ADS)

Martinez-Ruiz, Daniel; Meunier, Patrice; Duchemin, Laurent; Villermaux, Emmanuel

2016-11-01

The Diffusive Strip Method (DSM) is a near-exact numerical method developed for mixing computations at large Péclet number in two-dimensions. The method consists in following stretched material lines to compute a-posteriori the resulting scalar field is extended here to three-dimensional flows, following surfaces. We describe its 3D peculiarities, and show how it applies to a simple Taylor-Couette configuration with non-rotating boundary conditions at the top end, bottom and outer cylinder. This flow produces an elaborate, although controlled, steady 3D flow which relies on the Ekman pumping arising from the rotation of the inner cylinder is both studied experimentally, and numerically modeled. A recurrent two-cells structure appears formed by stream tubes shaped as nested tori. A scalar blob in the flow experiences a Lagrangian oscillating dynamics with stretchings and compressions, driving the mixing process, and yielding both rapidly-mixed and nearly pure-diffusive regions. A triangulated-surface method is developed to calculate the blob elongation and scalar concentration PDFs through a single variable computation along the advected blob surface, capturing the rich evolution observed in the experiments.

Mobility measurement by analysis of fluorescence photobleaching recovery kinetics.

PubMed Central

Axelrod, D; Koppel, D E; Schlessinger, J; Elson, E; Webb, W W

1976-01-01

Fluorescence photobleaching recovery (FPR) denotes a method for measuring two-dimensional lateral mobility of fluorescent particles, for example, the motion of fluorescently labeled molecules in approximately 10 mum2 regions of a single cell surface. A small spot on the fluorescent surface is photobleached by a brief exposure to an intense focused laser beam, and the subsequent recovery of the fluorescence is monitored by the same, but attenuated, laser beam. Recovery occurs by replenishment of intact fluorophore in the bleached spot by lateral transport from the surrounding surface. We present the theoretical basis and some practical guidelines for simple, rigorous analysis of FPR experiments. Information obtainable from FPR experiments includes: (a) identification of transport process type, i.e. the admixture of random diffusion and uniform directed flow; (b) determination of the absolute mobility coefficient, i.e. the diffusion constant and/or flow velocity; and (c) the fraction of total fluorophore which is mobile. To illustrate the experimental method and to verify the theory for diffusion, we describe some model experiments on aqueous solutions of rhodamine 6G. PMID:786399

Algorithm refinement for stochastic partial differential equations: II. Correlated systems

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

Alexander, Francis J.; Garcia, Alejandro L.; Tartakovsky, Daniel M.

2005-08-10

We analyze a hybrid particle/continuum algorithm for a hydrodynamic system with long ranged correlations. Specifically, we consider the so-called train model for viscous transport in gases, which is based on a generalization of the random walk process for the diffusion of momentum. This discrete model is coupled with its continuous counterpart, given by a pair of stochastic partial differential equations. At the interface between the particle and continuum computations the coupling is by flux matching, giving exact mass and momentum conservation. This methodology is an extension of our stochastic Algorithm Refinement (AR) hybrid for simple diffusion [F. Alexander, A. Garcia,more » D. Tartakovsky, Algorithm refinement for stochastic partial differential equations: I. Linear diffusion, J. Comput. Phys. 182 (2002) 47-66]. Results from a variety of numerical experiments are presented for steady-state scenarios. In all cases the mean and variance of density and velocity are captured correctly by the stochastic hybrid algorithm. For a non-stochastic version (i.e., using only deterministic continuum fluxes) the long-range correlations of velocity fluctuations are qualitatively preserved but at reduced magnitude.« less

Self-organized synthesis of silver dendritic nanostructures via an electroless metal deposition method

NASA Astrophysics Data System (ADS)

Qiu, T.; Wu, X. L.; Mei, Y. F.; Chu, P. K.; Siu, G. G.

2005-09-01

Unique silver dendritic nanostructures, with stems, branches, and leaves, were synthesized with self-organization via a simple electroless metal deposition method in a conventional autoclave containing aqueous HF and AgNO3 solution. Their growth mechanisms are discussed in detail on the basis of a self-assembled localized microscopic electrochemical cell model. A process of diffusion-limited aggregation is suggested for the formation of the silver dendritic nanostructures. This nanostructured material is of great potential to be building blocks for assembling mini-functional devices of the next generation.

RANDOM EVOLUTIONS, MARKOV CHAINS, AND SYSTEMS OF PARTIAL DIFFERENTIAL EQUATIONS

PubMed Central

Griego, R. J.; Hersh, R.

1969-01-01

Several authors have considered Markov processes defined by the motion of a particle on a fixed line with a random velocity1, 6, 8, 10 or a random diffusivity.5, 12 A “random evolution” is a natural but apparently new generalization of this notion. In this note we hope to show that this concept leads to simple and powerful applications of probabilistic tools to initial-value problems of both parabolic and hyperbolic type. We obtain existence theorems, representation theorems, and asymptotic formulas, both old and new. PMID:16578690

Jigsaw puzzle metasurface for multiple functions: polarization conversion, anomalous reflection and diffusion.

PubMed

Zhao, Yi; Cao, Xiangyu; Gao, Jun; Liu, Xiao; Li, Sijia

2016-05-16

We demonstrate a simple reconfigurable metasurface with multiple functions. Anisotropic tiles are investigated and manufactured as fundamental elements. Then, the tiles are combined in a certain sequence to construct a metasurface. Each of the tiles can be adjusted independently which is like a jigsaw puzzle and the whole metasurface can achieve diverse functions by different layouts. For demonstration purposes, we realize polarization conversion, anomalous reflection and diffusion by a jigsaw puzzle metasurface with 6 × 6 pieces of anisotropic tile. Simulated and measured results prove that our method offers a simple and effective strategy for metasurface design.

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

NASA Astrophysics Data System (ADS)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal structures and their diffusion coefficients calculated. Good agreement is found with the dislocation pipe model for tilt boundary diffusion.

Conceptual models governing leaching behavior and their long-term predictive capability

USGS Publications Warehouse

Claassen, Hans C.

1981-01-01

Six models that may be used to describe the interaction of radioactive waste solids with aqueous solutions are as follows:Simple linear mass transfer;Simple parabolic mass transfer;Parabolic mass transfer with the formation of a diffusion-limiting surface layer at an arbitrary time;Initial parabolic mass transfer followed by linear mass transfer at an arbitrary time;Parabolic (or linear) mass transfer and concomitant surface sorption; andParabolic (or linear) mass transfer and concomitant chemical precipitation.Some of these models lead to either illogical or unrealistic predictions when published data are extrapolated to long times. These predictions result because most data result from short-term experimentation. Probably for longer times, processes will occur that have not been observed in the shorter experiments. This hypothesis has been verified by mass-transfer data from laboratory experiments using natural volcanic glass to predict the composition of groundwater. That such rate-limiting mechanisms do occur is reassuring, although now it is not possible to deduce a single mass-transfer limiting mechanism that could control the solution concentration of all components of all waste forms being investigated. Probably the most reasonable mechanisms are surface sorption and chemical precipitation of the species of interest. Another is limiting of mass transfer by chemical precipitation on the waste form surface of a substance not containing the species of interest, that is, presence of a diffusion-limiting layer. The presence of sorption and chemical precipitation as factors limiting mass transfer has been verified in natural groundwater systems, whereas the diffusion-limiting mechanism has not been verified yet.

Chemistry and Formation of the Beilby Layer During Polishing of Fused Silica Glass

DOE PAGES

Suratwala, Tayyab; Steele, William; Wong, Lana; ...

2015-05-19

The chemical characteristics and the proposed formation mechanisms of the modified surface layer (called the Beilby layer) on polished fused silica glasses are described. Fused silica glass samples were polished using different slurries, polyurethane pads, and at different rotation rates. The concentration profiles of several key contaminants, such as Ce, K, and H, were measured in the near surface layer of the polished samples using Secondary Ion Mass Spectroscopy (SIMS). The penetration of K, originating from KOH used for pH control during polishing, decreased with increase in polishing material removal rate. In contrast, penetration of the Ce and H increasedmore » with increase in polishing removal rate. In addition, Ce penetration was largely independent of the other polishing parameters (e.g., particle size distribution and the properties of the polishing pad). The resulting K concentration depth profiles are described using a two-step diffusion process: (1) steady-state moving boundary diffusion (due to material removal during polishing) followed by (2) simple diffusion during ambient postpolishing storage. Using known alkali metal diffusion coefficients in fused silica glass, this diffusion model predicts concentration profiles that are consistent with the measured data at various polishing material removal rates. On the other hand, the observed Ce profiles are inconsistent with diffusion based transport. Rather we propose that Ce penetration is governed by the ratio of Ce–O–Si and Si–O–Si hydrolysis rates; where this ratio increases with interface temperature (which increases with polishing material removal rate) resulting in greater Ce penetration into the Beilby layer. Calculated Ce surface concentrations using this mechanism are in good agreement to the observed change in measured Ce surface concentrations with polishing material removal rate. In conclusion, these new insights into the chemistry of the Beilby layer, combined together with details of the single particle removal function during polishing, are used to develop a more detailed and quantitative picture of the polishing process and the formation of the Beilby layer.« less

Lévy processes on a generalized fractal comb

NASA Astrophysics Data System (ADS)

Sandev, Trifce; Iomin, Alexander; Méndez, Vicenç

2016-09-01

Comb geometry, constituted of a backbone and fingers, is one of the most simple paradigm of a two-dimensional structure, where anomalous diffusion can be realized in the framework of Markov processes. However, the intrinsic properties of the structure can destroy this Markovian transport. These effects can be described by the memory and spatial kernels. In particular, the fractal structure of the fingers, which is controlled by the spatial kernel in both the real and the Fourier spaces, leads to the Lévy processes (Lévy flights) and superdiffusion. This generalization of the fractional diffusion is described by the Riesz space fractional derivative. In the framework of this generalized fractal comb model, Lévy processes are considered, and exact solutions for the probability distribution functions are obtained in terms of the Fox H-function for a variety of the memory kernels, and the rate of the superdiffusive spreading is studied by calculating the fractional moments. For a special form of the memory kernels, we also observed a competition between long rests and long jumps. Finally, we considered the fractal structure of the fingers controlled by a Weierstrass function, which leads to the power-law kernel in the Fourier space. This is a special case, when the second moment exists for superdiffusion in this competition between long rests and long jumps.

Critical time scales for advection-diffusion-reaction processes

NASA Astrophysics Data System (ADS)

Ellery, Adam J.; Simpson, Matthew J.; McCue, Scott W.; Baker, Ruth E.

2012-04-01

The concept of local accumulation time (LAT) was introduced by Berezhkovskii and co-workers to give a finite measure of the time required for the transient solution of a reaction-diffusion equation to approach the steady-state solution [A. M. Berezhkovskii, C. Sample, and S. Y. Shvartsman, Biophys. J.BIOJAU0006-349510.1016/j.bpj.2010.07.045 99, L59 (2010); A. M. Berezhkovskii, C. Sample, and S. Y. Shvartsman, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.83.051906 83, 051906 (2011)]. Such a measure is referred to as a critical time. Here, we show that LAT is, in fact, identical to the concept of mean action time (MAT) that was first introduced by McNabb [A. McNabb and G. C. Wake, IMA J. Appl. Math.IJAMDM0272-496010.1093/imamat/47.2.193 47, 193 (1991)]. Although McNabb's initial argument was motivated by considering the mean particle lifetime (MPLT) for a linear death process, he applied the ideas to study diffusion. We extend the work of these authors by deriving expressions for the MAT for a general one-dimensional linear advection-diffusion-reaction problem. Using a combination of continuum and discrete approaches, we show that MAT and MPLT are equivalent for certain uniform-to-uniform transitions; these results provide a practical interpretation for MAT by directly linking the stochastic microscopic processes to a meaningful macroscopic time scale. We find that for more general transitions, the equivalence between MAT and MPLT does not hold. Unlike other critical time definitions, we show that it is possible to evaluate the MAT without solving the underlying partial differential equation (pde). This makes MAT a simple and attractive quantity for practical situations. Finally, our work explores the accuracy of certain approximations derived using MAT, showing that useful approximations for nonlinear kinetic processes can be obtained, again without treating the governing pde directly.

Results of chemical decontamination of DOE`s uranium-enrichment scrap metal

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

Levesque, R.G.

1997-02-01

The CORPEX{reg_sign} Nuclear Decontamination Processes were used to decontaminate representative scrap metal specimens obtained from the existing scrap metal piles located at the Department of Energy (DOE) Portsmouth Gaseous Diffusion Plant (PORTS), Piketon, Ohio. In September 1995, under contract to Lockheed Martin Energy Systems, MELE Associates, Inc. performed the on-site decontamination demonstration. The decontamination demonstration proved that significant amounts of the existing DOE scrap metal can be decontaminated to levels where the scrap metal could be economically released by DOE for beneficial reuse. This simple and environmentally friendly process can be used as an alternative, or in addition to, smeltingmore » radiologically contaminated scrap metal.« less

Diffusion blotting: a rapid and simple method for production of multiple blots from a single gel.

PubMed

Olsen, Ingrid; Wiker, Harald G

2015-01-01

A very simple and fast method for diffusion blotting of proteins from precast SDS-PAGE gels on a solid plastic support was developed. Diffusion blotting for 3 min gives a quantitative transfer of 10 % compared to 1-h electroblotting. For each subsequent blot from the same gel a doubling of transfer time is necessary to obtain the same amount of protein onto each blot. High- and low-molecular-weight components are transferred equally efficiently when compared to electroblotting. However, both methods do give a higher total transfer of the low-molecular-weight proteins compared to the large proteins. The greatest advantage of diffusion blotting is that several blots can be made from each lane, thus enabling testing of multiple antisera on virtually identical blots. The gel remains on the plastic support, which prevents it from stretching or shrinking. This ensures identical blots and facilitates more reliable molecular weight determination. Furthermore the proteins remaining in the gel can be stained with Coomassie Brilliant Blue or other methods for exact and easy comparison with the developed blots. These advantages make diffusion blotting the method of choice when quantitative protein transfer is not required.

Chemical and Temperature Effects on Diffusion in a Model Polymer/Nanoparticle Composite

NASA Astrophysics Data System (ADS)

Janes, Dustin; Durning, Christopher

Polymers and inks used in medical devices may be strengthened with nanoparticle fillers, so an understanding of how they may affect the release of residuals and additives via diffusion will help modernize biocompatibility testing. Transport of small molecules in polymers with increasing volume fraction of impermeable nanoparticles is often poorly predicted by the simple Maxwell model for heterogeneous media. In this presentation we will examine two diffusant classes, only one of which possesses hydrogen bonding interactions with the nanoparticle surface. Since similar reductions in mutual diffusion coefficients were observed in both cases we attribute the enhancement of the ''blocking effect'' in nanocomposites to a reduction in polymer mobility in the interfacial volume near the nanoparticle. The temperature and penetrant concentration dependence of the diffusion coefficients were examined in the context of a Vrentas-Duda free volume model that includes a thermally activated prefactor. While data obtained for rubbery poly(methyl acrylate) clearly obeys the expected Arrhenius scaling with EA = 11 kJ/mol, results for films containing d = 14 nm spherical silica nanoparticles do not, providing more evidence that polymer free volume is perturbed in unexpected ways even for conceptually simple systems. National Science Foundation IGERT Program, Pall Corporation.

Mutual influence of molecular diffusion in gas and surface phases

NASA Astrophysics Data System (ADS)

Hori, Takuma; Kamino, Takafumi; Yoshimoto, Yuta; Takagi, Shu; Kinefuchi, Ikuya

2018-01-01

We develop molecular transport simulation methods that simultaneously deal with gas- and surface-phase diffusions to determine the effect of surface diffusion on the overall diffusion coefficients. The phenomenon of surface diffusion is incorporated into the test particle method and the mean square displacement method, which are typically employed only for gas-phase transport. It is found that for a simple cylindrical pore, the diffusion coefficients in the presence of surface diffusion calculated by these two methods show good agreement. We also confirm that both methods reproduce the analytical solution. Then, the diffusion coefficients for ink-bottle-shaped pores are calculated using the developed method. Our results show that surface diffusion assists molecular transport in the gas phase. Moreover, the surface tortuosity factor, which is known to be uniquely determined by physical structure, is influenced by the presence of gas-phase diffusion. This mutual influence of gas-phase diffusion and surface diffusion indicates that their simultaneous calculation is necessary for an accurate evaluation of the diffusion coefficients.

A Combinatorial Model of Malware Diffusion via Bluetooth Connections

PubMed Central

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

Evaluating the multimedia fate of organic chemicals: A level III fugacity model

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

Mackay, D.; Paterson, S.

A multimedia model is developed and applied to selected organic chemicals in evaluative and real regional environments. The model employs the fugacity concept and treats four bulk compartments: air, water, soil, and bottom sediment, which consist of subcompartments of varying proportions of air, water, and mineral and organic matter. Chemical equilibrium is assumed to apply within (but not between) each bulk compartment. Expressions are included for emissions, advective flows, degrading reactions, and interphase transport by diffusive and non-diffusive processes. Input to the model consists of a description of the environment, the physical-chemical and reaction properties of the chemical, and emissionmore » rates. For steady-state conditions the solution is a simple algebraic expression. The model is applied to six chemicals in the region of southern Ontario and the calculated fate and concentrations are compared with observations. The results suggest that the model may be used to determine the processes that control the environmental fate of chemicals in a region and provide approximate estimates of relative media concentrations.« less

Chemical and Topographical Modification of Polycarbonate Surfaces through Diffusion/Photocuring Processes of Hydrogel Precursors Based on Vinylpyrrolidone.

PubMed

Gallardo, Alberto; Lujan, Noelia; Reinecke, Helmut; García, Carolina; Campo, Adolfo Del; Rodriguez-Hernandez, Juan

2017-02-21

Facile procedures capable of simultaneously conferring hydrophilicity and tailored topography to surfaces of hydrophobic supports, such as polycarbonate (PC), are very attractive but rare. In this work, we describe a simple methodology to wrinkle PC surfaces after a process of (a) contacting with a photopolymerizable vinylic solution, (b) UV curing of such solutions, and (c) detachment of the formed polymer network, upon swelling in ethanol. The influence of different parameters such as contact lag time between the PC surface and the polymerizable solution, the monomer concentration and type of solvents, as well as the cross-linking degree on the formation of wrinkles, has been studied. The dimensions of the wrinkles can be tailored to some extent by altering the different parameters. Surface chemistry has been analyzed by contact angle measurements and by confocal Raman microscopy. The results are consistent with a chemical alteration of the surface and the formation of an outer hydrogel layer, which is interpenetrated into the PC structure. A mechanism of monomer diffusion and PC swelling that produces surface instabilities and wrinkling is proposed.

Cadmium-free junction fabrication process for CuInSe.sub.2 thin film solar cells

DOEpatents

Ramanathan, Kannan V.; Contreras, Miguel A.; Bhattacharya, Raghu N.; Keane, James; Noufi, Rommel

1999-01-01

The present invention provides an economical, simple, dry and controllable semiconductor layer junction forming process to make cadmium free high efficiency photovoltaic cells having a first layer comprised primarily of copper indium diselenide having a thin doped copper indium diselenide n-type region, generated by thermal diffusion with a group II(b) element such as zinc, and a halide, such as chlorine, and a second layer comprised of a conventional zinc oxide bilayer. A photovoltaic device according the present invention includes a first thin film layer of semiconductor material formed primarily from copper indium diselenide. Doping of the copper indium diselenide with zinc chloride is accomplished using either a zinc chloride solution or a solid zinc chloride material. Thermal diffusion of zinc chloride into the copper indium diselenide upper region creates the thin n-type copper indium diselenide surface. A second thin film layer of semiconductor material comprising zinc oxide is then applied in two layers. The first layer comprises a thin layer of high resistivity zinc oxide. The second relatively thick layer of zinc oxide is doped to exhibit low resistivity.

Metapopulation models for historical inference.

PubMed

Wakeley, John

2004-04-01

The genealogical process for a sample from a metapopulation, in which local populations are connected by migration and can undergo extinction and subsequent recolonization, is shown to have a relatively simple structure in the limit as the number of populations in the metapopulation approaches infinity. The result, which is an approximation to the ancestral behaviour of samples from a metapopulation with a large number of populations, is the same as that previously described for other metapopulation models, namely that the genealogical process is closely related to Kingman's unstructured coalescent. The present work considers a more general class of models that includes two kinds of extinction and recolonization, and the possibility that gamete production precedes extinction. In addition, following other recent work, this result for a metapopulation divided into many populations is shown to hold both for finite population sizes and in the usual diffusion limit, which assumes that population sizes are large. Examples illustrate when the usual diffusion limit is appropriate and when it is not. Some shortcomings and extensions of the model are considered, and the relevance of such models to understanding human history is discussed.

The Relaxation of Vicinal (001) with ZigZag [110] Steps

NASA Astrophysics Data System (ADS)

Hawkins, Micah; Hamouda, Ajmi Bh; González-Cabrera, Diego Luis; Einstein, Theodore L.

2012-02-01

This talk presents a kinetic Monte Carlo study of the relaxation dynamics of [110] steps on a vicinal (001) simple cubic surface. This system is interesting because [110] steps have different elementary excitation energetics and favor step diffusion more than close-packed [100] steps. In this talk we show how this leads to relaxation dynamics showing greater fluctuations on a shorter time scale for [110] steps as well as 2-bond breaking processes being rate determining in contrast to 3-bond breaking processes for [100] steps. The existence of a steady state is shown via the convergence of terrace width distributions at times much longer than the relaxation time. In this time regime excellent fits to the modified generalized Wigner distribution (as well as to the Berry-Robnik model when steps can overlap) were obtained. Also, step-position correlation function data show diffusion-limited increase for small distances along the step as well as greater average step displacement for zigzag steps compared to straight steps for somewhat longer distances along the step. Work supported by NSF-MRSEC Grant DMR 05-20471 as well as a DOE-CMCSN Grant.

Compact modeling of nanoscale triple-gate junctionless transistors covering drift-diffusion to quasi-ballistic carrier transport

NASA Astrophysics Data System (ADS)

Oproglidis, T. A.; Karatsori, T. A.; Barraud, S.; Ghibaudo, G.; Dimitriadis, C. A.

2018-04-01

In this work, we extend our analytical compact model for nanoscale junctionless triple-gate (JL TG) MOSFETs, capturing carrier transport from drift-diffusion to quasi-ballistic regime. This is based on a simple formulation of the low-field mobility extracted from experimental data using the Y-function method, taking into account the ballistic carrier motion and an increased carrier scattering in process-induced defects near the source/drain regions. The case of a Schottky junction in non-ideal ohmic contact at the drain side was also taken into account by modifying the threshold voltage and ideality factor of the JL transistor. The model is validated with experimental data for n-channel JL TG MOSFETs with channel length varying from 95 down to 25 nm. It can be easily implemented as a compact model for use in Spice circuit simulators.

Numerical calculation on a two-step subdiffusion behavior of lateral protein movement in plasma membranes

NASA Astrophysics Data System (ADS)

Sumi, Tomonari; Okumoto, Atsushi; Goto, Hitoshi; Sekino, Hideo

2017-10-01

A two-step subdiffusion behavior of lateral movement of transmembrane proteins in plasma membranes has been observed by using single-molecule experiments. A nested double-compartment model where large compartments are divided into several smaller ones has been proposed in order to explain this observation. These compartments are considered to be delimited by membrane-skeleton "fences" and membrane-protein "pickets" bound to the fences. We perform numerical simulations of a master equation using a simple two-dimensional lattice model to investigate the heterogeneous diffusion dynamics behavior of transmembrane proteins within plasma membranes. We show that the experimentally observed two-step subdiffusion process can be described using fence and picket models combined with decreased local diffusivity of transmembrane proteins in the vicinity of the pickets. This allows us to explain the two-step subdiffusion behavior without explicitly introducing nested double compartments.

Control of Ga-oxide interlayer growth and Ga diffusion in SiO2/GaN stacks for high-quality GaN-based metal-oxide-semiconductor devices with improved gate dielectric reliability

NASA Astrophysics Data System (ADS)

Yamada, Takahiro; Watanabe, Kenta; Nozaki, Mikito; Yamada, Hisashi; Takahashi, Tokio; Shimizu, Mitsuaki; Yoshigoe, Akitaka; Hosoi, Takuji; Shimura, Takayoshi; Watanabe, Heiji

2018-01-01

A simple and feasible method for fabricating high-quality and highly reliable GaN-based metal-oxide-semiconductor (MOS) devices was developed. The direct chemical vapor deposition of SiO2 films on GaN substrates forming Ga-oxide interlayers was carried out to fabricate SiO2/GaO x /GaN stacked structures. Although well-behaved hysteresis-free GaN-MOS capacitors with extremely low interface state densities below 1010 cm-2 eV-1 were obtained by postdeposition annealing, Ga diffusion into overlying SiO2 layers severely degraded the dielectric breakdown characteristics. However, this problem was found to be solved by rapid thermal processing, leading to the superior performance of the GaN-MOS devices in terms of interface quality, insulating property, and gate dielectric reliability.

Fluorescence correlation spectroscopy: the case of subdiffusion.

PubMed

Lubelski, Ariel; Klafter, Joseph

2009-03-18

The theory of fluorescence correlation spectroscopy is revisited here for the case of subdiffusing molecules. Subdiffusion is assumed to stem from a continuous-time random walk process with a fat-tailed distribution of waiting times and can therefore be formulated in terms of a fractional diffusion equation (FDE). The FDE plays the central role in developing the fluorescence correlation spectroscopy expressions, analogous to the role played by the simple diffusion equation for regular systems. Due to the nonstationary nature of the continuous-time random walk/FDE, some interesting properties emerge that are amenable to experimental verification and may help in discriminating among subdiffusion mechanisms. In particular, the current approach predicts 1), a strong dependence of correlation functions on the initial time (aging); 2), sensitivity of correlation functions to the averaging procedure, ensemble versus time averaging (ergodicity breaking); and 3), that the basic mean-squared displacement observable depends on how the mean is taken.

Nanoscale doping of compound semiconductors by solid phase dopant diffusion

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

Ahn, Jaehyun, E-mail: jaehyun.ahn@utexas.edu; Koh, Donghyi; Roy, Anupam

2016-03-21

Achieving damage-free, uniform, abrupt, ultra-shallow junctions while simultaneously controlling the doping concentration on the nanoscale is an ongoing challenge to the scaling down of electronic device dimensions. Here, we demonstrate a simple method of effectively doping ΙΙΙ-V compound semiconductors, specifically InGaAs, by a solid phase doping source. This method is based on the in-diffusion of oxygen and/or silicon from a deposited non-stoichiometric silicon dioxide (SiO{sub x}) film on InGaAs, which then acts as donors upon activation by annealing. The dopant profile and concentration can be controlled by the deposited film thickness and thermal annealing parameters, giving active carrier concentration ofmore » 1.4 × 10{sup 18 }cm{sup −3}. Our results also indicate that conventional silicon based processes must be carefully reviewed for compound semiconductor device fabrication to prevent unintended doping.« less

Statistical mechanics of an ideal active fluid confined in a channel

NASA Astrophysics Data System (ADS)

Wagner, Caleb; Baskaran, Aparna; Hagan, Michael

The statistical mechanics of ideal active Brownian particles (ABPs) confined in a channel is studied by obtaining the exact solution of the steady-state Smoluchowski equation for the 1-particle distribution function. The solution is derived using results from the theory of two-way diffusion equations, combined with an iterative procedure that is justified by numerical results. Using this solution, we quantify the effects of confinement on the spatial and orientational order of the ensemble. Moreover, we rigorously show that both the bulk density and the fraction of particles on the channel walls obey simple scaling relations as a function of channel width. By considering a constant-flux steady state, an effective diffusivity for ABPs is derived which shows signatures of the persistent motion that characterizes ABP trajectories. Finally, we discuss how our techniques generalize to other active models, including systems whose activity is modeled in terms of an Ornstein-Uhlenbeck process.

Solution-mediated cladding doping of commercial polymer optical fibers

NASA Astrophysics Data System (ADS)

Stajanca, Pavol; Topolniak, Ievgeniia; Pötschke, Samuel; Krebber, Katerina

2018-03-01

Solution doping of commercial polymethyl methacrylate (PMMA) polymer optical fibers (POFs) is presented as a novel approach for preparation of custom cladding-doped POFs (CD-POFs). The presented method is based on a solution-mediated diffusion of dopant molecules into the fiber cladding upon soaking of POFs in a methanol-dopant solution. The method was tested on three different commercial POFs using Rhodamine B as a fluorescent dopant. The dynamics of the diffusion process was studied in order to optimize the doping procedure in terms of selection of the most suitable POF, doping time and conditions. Using the optimized procedure, longer segment of fluorescent CD-POF was prepared and its performance was characterized. Fiber's potential for sensing and illumination applications was demonstrated and discussed. The proposed method represents a simple and cheap way for fabrication of custom, short to medium length CD-POFs with various dopants.

Characteristics of pattern formation and evolution in approximations of Physarum transport networks.

PubMed

Jones, Jeff

2010-01-01

Most studies of pattern formation place particular emphasis on its role in the development of complex multicellular body plans. In simpler organisms, however, pattern formation is intrinsic to growth and behavior. Inspired by one such organism, the true slime mold Physarum polycephalum, we present examples of complex emergent pattern formation and evolution formed by a population of simple particle-like agents. Using simple local behaviors based on chemotaxis, the mobile agent population spontaneously forms complex and dynamic transport networks. By adjusting simple model parameters, maps of characteristic patterning are obtained. Certain areas of the parameter mapping yield particularly complex long term behaviors, including the circular contraction of network lacunae and bifurcation of network paths to maintain network connectivity. We demonstrate the formation of irregular spots and labyrinthine and reticulated patterns by chemoattraction. Other Turing-like patterning schemes were obtained by using chemorepulsion behaviors, including the self-organization of regular periodic arrays of spots, and striped patterns. We show that complex pattern types can be produced without resorting to the hierarchical coupling of reaction-diffusion mechanisms. We also present network behaviors arising from simple pre-patterning cues, giving simple examples of how the emergent pattern formation processes evolve into networks with functional and quasi-physical properties including tensionlike effects, network minimization behavior, and repair to network damage. The results are interpreted in relation to classical theories of biological pattern formation in natural systems, and we suggest mechanisms by which emergent pattern formation processes may be used as a method for spatially represented unconventional computation.

Using rapid infrared forming to control interfaces in titanium-matrix composites

NASA Technical Reports Server (NTRS)

Warrier, Sunil G.; Lin, Ray Y.

1993-01-01

Control of the fiber-matrix reaction during composite fabrication is commonly achieved by shortening the processing time, coating the reinforcement with relatively inert materials, or adding alloying elements to retard the reaction. To minimize the processing time, a rapid IR forming (RIF) technique for metal-matrix composite fabrication has been developed. Experiments have shown that the RIF technique is a quick, simple, and low-cost process to fabricate titanium-alloy matrix composites reinforced with either silicon carbide or carbon fibers. Due to short processing times (typically on the order of 1-2 minutes in an inert atmosphere for composites with up to eight-ply reinforcements), the interfacial reaction is limited and well controlled. Composites fabricated by this technique have mechanical properties that are comparable to (in several cases, superior to) those made with conventional diffusion-bonding techniques.

Insight from simulations of single-well injection-withdrawal tracer tests on simple and complex fractures

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

Tsang, C.-F.; Doughty, C.

2009-08-06

The single-well injection withdrawal (SWIW) test, a tracer test utilizing only one well, is proposed as a useful contribution to site characterization of fractured rock, as well as providing parameters relevant to tracer diffusion and sorption. The usual conceptual model of flow and solute transport through fractured rock with low matrix permeability involves solute advection and dispersion through a fracture network coupled with diffusion and sorption into the surrounding rock matrix. Unlike two-well tracer tests, results of SWIW tests are ideally independent of advective heterogeneity, channeling and flow dimension, and, instead, focus on diffusive and sorptive characteristics of tracer (solute)more » transport. Thus, they can be used specifically to study such characteristics and evaluate the diffusive parameters associated with tracer transport through fractured media. We conduct simulations of SWIW tests on simple and complex fracture models, the latter being defined as having two subfractures with altered rock blocks in between and gouge material in their apertures. Using parameters from the Aspo site in Sweden, we calculate and study SWIW tracer breakthrough curves (BTCs) from a test involving four days of injection and then withdrawal. By examining the peak concentration C{sub pk} of the SWIW BTCs for a variety of parameters, we confirm that C{sub pk} is largely insensitive to the fracture advective flow properties, in particular to permeability heterogeneity over the fracture plane or to subdividing the flow into two subfractures in the third dimension orthogonal to the fracture plane. The peak arrival time t{sub pk} is not a function of fracture or rock properties, but is controlled by the time schedule of the SWIW test. The study shows that the SWIW test is useful for the study of tracer diffusion-sorption processes, including the effect of the so-called flow-wetted surface (FWS) of the fracture. Calculations with schematic models with different FWS values are conducted and the possibility of direct in situ measurement of FWS with SWIW tests is demonstrated.« less

Modeling diffusion control on organic matter decomposition in unsaturated soil pore space

NASA Astrophysics Data System (ADS)

Vogel, Laure; Pot, Valérie; Garnier, Patricia; Vieublé-Gonod, Laure; Nunan, Naoise; Raynaud, Xavier; Chenu, Claire

2014-05-01

Soil Organic Matter decomposition is affected by soil structure and water content, but field and laboratory studies about this issue conclude to highly variable outcomes. Variability could be explained by the discrepancy between the scale at which key processes occur and the measurements scale. We think that physical and biological interactions driving carbon transformation dynamics can be best understood at the pore scale. Because of the spatial disconnection between carbon sources and decomposers, the latter rely on nutrient transport unless they can actively move. In hydrostatic case, diffusion in soil pore space is thus thought to regulate biological activity. In unsaturated conditions, the heterogeneous distribution of water modifies diffusion pathways and rates, thus affects diffusion control on decomposition. Innovative imaging and modeling tools offer new means to address these effects. We have developed a new model based on the association between a 3D Lattice-Boltzmann Model and an adimensional decomposition module. We designed scenarios to study the impact of physical (geometry, saturation, decomposers position) and biological properties on decomposition. The model was applied on porous media with various morphologies. We selected three cubic images of 100 voxels side from µCT-scanned images of an undisturbed soil sample at 68µm resolution. We used LBM to perform phase separation and obtained water phase distributions at equilibrium for different saturation indices. We then simulated the diffusion of a simple soluble substrate (glucose) and its consumption by bacteria. The same mass of glucose was added as a pulse at the beginning of all simulations. Bacteria were placed in few voxels either regularly spaced or concentrated close to or far from the glucose source. We modulated physiological features of decomposers in order to weight them against abiotic conditions. We could evidence several effects creating unequal substrate access conditions for decomposers, hence inducing contrasted decomposition kinetics: position of bacteria relative to the substrate diffusion pathways, diffusion rate and hydraulic connectivity between bacteria and substrate source, local substrate enrichment due to restricted mass transfer. Physiological characteristics had a strong impact on decomposition only when glucose diffused easily but not when diffusion limitation prevailed. This suggests that carbon dynamics should not be considered to derive from decomposers' physiology alone but rather from the interactions of biological and physical processes at the microscale.

Manufacturing Processes for Long-Life Gas Turbines

NASA Astrophysics Data System (ADS)

Hoppin, G. S.; Danesi, W. P.

1986-07-01

Dual-alloy turbine wheels produced by solid-state diffusion bonding of vacuum investment cast blade rings of one superalloy to preconsolidated powder metal hubs of a second superalloy have the long cyclic lives characteristic of wrought or powder superalloys combined with the high creep strength and net-shape blades characteristic of cast superalloys. A wide variety of superalloys and turbine configurations are compatible with this technology. Improved temperature capability turbine blades and vanes of the MAR-M 247 alloy made by directional solidification casting processes are now in volume production for Garrett gas turbines. Single-crystal alloys derivative to MAR-M 247 further extend the temperature capability of turbine blades and have been successfully engine tested. These blades are produced by a relatively simple modification of the processes used to manufacture directionally solidified blades.

Synchronization criteria for generalized reaction-diffusion neural networks via periodically intermittent control.

PubMed

Gan, Qintao; Lv, Tianshi; Fu, Zhenhua

2016-04-01

In this paper, the synchronization problem for a class of generalized neural networks with time-varying delays and reaction-diffusion terms is investigated concerning Neumann boundary conditions in terms of p-norm. The proposed generalized neural networks model includes reaction-diffusion local field neural networks and reaction-diffusion static neural networks as its special cases. By establishing a new inequality, some simple and useful conditions are obtained analytically to guarantee the global exponential synchronization of the addressed neural networks under the periodically intermittent control. According to the theoretical results, the influences of diffusion coefficients, diffusion space, and control rate on synchronization are analyzed. Finally, the feasibility and effectiveness of the proposed methods are shown by simulation examples, and by choosing different diffusion coefficients, diffusion spaces, and control rates, different controlled synchronization states can be obtained.

Emergence of an optimal search strategy from a simple random walk

PubMed Central

Sakiyama, Tomoko; Gunji, Yukio-Pegio

2013-01-01

In reports addressing animal foraging strategies, it has been stated that Lévy-like algorithms represent an optimal search strategy in an unknown environment, because of their super-diffusion properties and power-law-distributed step lengths. Here, starting with a simple random walk algorithm, which offers the agent a randomly determined direction at each time step with a fixed move length, we investigated how flexible exploration is achieved if an agent alters its randomly determined next step forward and the rule that controls its random movement based on its own directional moving experiences. We showed that our algorithm led to an effective food-searching performance compared with a simple random walk algorithm and exhibited super-diffusion properties, despite the uniform step lengths. Moreover, our algorithm exhibited a power-law distribution independent of uniform step lengths. PMID:23804445

Emergence of an optimal search strategy from a simple random walk.

PubMed

Sakiyama, Tomoko; Gunji, Yukio-Pegio

2013-09-06

In reports addressing animal foraging strategies, it has been stated that Lévy-like algorithms represent an optimal search strategy in an unknown environment, because of their super-diffusion properties and power-law-distributed step lengths. Here, starting with a simple random walk algorithm, which offers the agent a randomly determined direction at each time step with a fixed move length, we investigated how flexible exploration is achieved if an agent alters its randomly determined next step forward and the rule that controls its random movement based on its own directional moving experiences. We showed that our algorithm led to an effective food-searching performance compared with a simple random walk algorithm and exhibited super-diffusion properties, despite the uniform step lengths. Moreover, our algorithm exhibited a power-law distribution independent of uniform step lengths.

Theory of the formation of the electric double layer at the ion exchange membrane-solution interface.

PubMed

Moya, A A

2015-02-21

This work aims to extend the study of the formation of the electric double layer at the interface defined by a solution and an ion-exchange membrane on the basis of the Nernst-Planck and Poisson equations, including different values of the counter-ion diffusion coefficient and the dielectric constant in the solution and membrane phases. The network simulation method is used to obtain the time evolution of the electric potential, the displacement electric vector, the electric charge density and the ionic concentrations at the interface between a binary electrolyte solution and a cation-exchange membrane with total co-ion exclusion. The numerical results for the temporal evolution of the interfacial electric potential and the surface electric charge are compared with analytical solutions derived in the limit of the shortest times by considering the Poisson equation for a simple cationic diffusion process. The steady-state results are justified from the Gouy-Chapman theory for the diffuse double layer in the limits of similar and high bathing ionic concentrations with respect to the fixed-charge concentration inside the membrane. Interesting new physical insights arise from the interpretation of the process of the formation of the electric double layer at the ion exchange membrane-solution interface on the basis of a membrane model with total co-ion exclusion.

Adsorptive Removal of Toxic Chromium from Waste-Water Using Wheat Straw and Eupatorium adenophorum

PubMed Central

Song, Dagang; Pan, Kaiwen; Tariq, Akash; Azizullah, Azizullah; Sun, Feng; Li, Zilong; Xiong, Qinli

2016-01-01

Environmental pollution with heavy metals is a serious issue worldwide posing threats to humans, animals and plants and to the stability of overall ecosystem. Chromium (Cr) is one of most hazardous heavy metals with a high carcinogenic and recalcitrant nature. Aim of the present study was to select low-cost biosorbent using wheat straw and Eupatorium adenophorum through simple carbonization process, capable of removing Cr (VI) efficiently from wastewater. From studied plants a low cost adsorbent was prepared for removing Cr (VI) from aqueous solution following very simple carbonization method excluding activation process. Several factors such as pH, contact time, sorbent dosage and temperature were investigated for attaining ideal condition. For analysis of adsorption equilibrium isotherm data, Langmuir, Freundlich and Temkin models were used while pseudo-first-order, pseudo-second-order, external diffusion and intra-particle diffusion models were used for the analysis of kinetic data. The obtained results revealed that 99.9% of Cr (VI) removal was observed in the solution with a pH of 1.0. Among all the tested models Langmuir model fitted more closely according to the data obtained. Increase in adsorption capacity was observed with increasing temperature revealing endothermic nature of Cr (VI). The maximum Cr (VI) adsorption potential of E. adenophorum and wheat straw was 89.22 mg per 1 gram adsorbent at 308K. Kinetic data of absorption precisely followed pseudo-second-order model. Present study revealed highest potential of E. adenophorum and wheat straw for producing low cost adsorbent and to remove Cr (VI) from contaminated water. PMID:27911906

Adsorptive Removal of Toxic Chromium from Waste-Water Using Wheat Straw and Eupatorium adenophorum.

PubMed

Song, Dagang; Pan, Kaiwen; Tariq, Akash; Azizullah, Azizullah; Sun, Feng; Li, Zilong; Xiong, Qinli

2016-01-01

Environmental pollution with heavy metals is a serious issue worldwide posing threats to humans, animals and plants and to the stability of overall ecosystem. Chromium (Cr) is one of most hazardous heavy metals with a high carcinogenic and recalcitrant nature. Aim of the present study was to select low-cost biosorbent using wheat straw and Eupatorium adenophorum through simple carbonization process, capable of removing Cr (VI) efficiently from wastewater. From studied plants a low cost adsorbent was prepared for removing Cr (VI) from aqueous solution following very simple carbonization method excluding activation process. Several factors such as pH, contact time, sorbent dosage and temperature were investigated for attaining ideal condition. For analysis of adsorption equilibrium isotherm data, Langmuir, Freundlich and Temkin models were used while pseudo-first-order, pseudo-second-order, external diffusion and intra-particle diffusion models were used for the analysis of kinetic data. The obtained results revealed that 99.9% of Cr (VI) removal was observed in the solution with a pH of 1.0. Among all the tested models Langmuir model fitted more closely according to the data obtained. Increase in adsorption capacity was observed with increasing temperature revealing endothermic nature of Cr (VI). The maximum Cr (VI) adsorption potential of E. adenophorum and wheat straw was 89.22 mg per 1 gram adsorbent at 308K. Kinetic data of absorption precisely followed pseudo-second-order model. Present study revealed highest potential of E. adenophorum and wheat straw for producing low cost adsorbent and to remove Cr (VI) from contaminated water.

Multichannel Porous TiO2 Hollow Nanofibers with Rich Oxygen Vacancies and High Grain Boundary Density Enabling Superior Sodium Storage Performance.

PubMed

Wu, Ying; Jiang, Yu; Shi, Jinan; Gu, Lin; Yu, Yan

2017-06-01

TiO 2 as an anode for sodium-ion batteries (NIBs) has attracted much recent attention, but poor cyclability and rate performance remain problematic owing to the intrinsic electronic conductivity and the sluggish diffusivity of Na ions in the TiO 2 matrix. Herein, a simple process is demonstrated to improve the sodium storage performance of TiO 2 by fabricating a 1D, multichannel, porous binary-phase anatase-TiO 2 -rutile-TiO 2 composite with oxygen-deficient and high grain-boundary density (denoted as a-TiO 2- x /r-TiO 2- x ) via electrospinning and subsequent vacuum treatment. The introduction of oxygen vacancies in the TiO 2 matrix enables enhanced intrinsic electronic conductivity and fast sodium-ion diffusion kinetics. The porous structure offers easy access of the liquid electrolyte and a short transport path of Na + through the pores toward the TiO 2 nanoparticle. Furthermore, the high density of grain boundaries between the anatase TiO 2 and rutile TiO 2 offer more interfaces for a novel interfacial storage. The a-TiO 2- x /r-TiO 2- x shows excellent long cycling stability (134 mAh g -1 at 10 C after 4500 cycles) and superior rate performance (93 mAh g -1 after 4500 cycles at 20 C) for sodium-ion batteries. This simple and effective process could serve as a model for the modification of other materials applied in energy storage systems and other fields. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling Vertical Structure and Heat Transport within the Oceans of Ice-covered Worlds (Invited)

NASA Astrophysics Data System (ADS)

Goodman, J. C.

2010-12-01

Indirect observational evidence provides a strong case for liquid oceans beneath the icy crust of Europa and several other frozen moons in the outer solar system. However, little is known about the fluid circulation within these exotic oceans. As a first step toward understanding circulations driven by buoyancy (rather than mechanical forcing from tides), one must understand the typical vertical structure of temperature, salinity, and thus density within the ocean. Following a common approach from terrestrial oceanography, I have built a "single column convection model" for icy world oceans, which describes the density structure of the ocean as a function of depth only: horizontal variations are ignored. On Earth, this approach is of limited utility, because of the strong influence of horizontal wind-driven currents and sea-surface temperature gradients set in concert with the overlying atmosphere. Neither of these confounding issues is present in an icy world's ocean. In the model, mixing of fluid properties via overturning convection is modeled as a strong diffusive process which only acts when the ocean is vertically unstable. "Double diffusive" processes (salt fingering and diffusive layering) are included: these are mixing processes resulting from the unequal molecular diffusivities of heat and salt. Other important processes, such as heating on adiabatic compression, and freshwater fluxes from melting overlying ice, are also included. As a simple test case, I considered an ocean of Europa-like depth (~100 km) and gravity, heated from the seafloor. To simplify matters, I specified an equation of state appropriate to terrestrial seawater, and a simple isothermal ocean as an initial condition. As expected, convection gradually penetrates upward, warming the ocean to an adiabatic, unstratified equilibrium density profile on a timescale of 50 kyr if 4.5 TW of heat are emitted by the silicate interior; the same result is achieved in proportionally more/less time for weaker/stronger internal heating. Unlike Earth's oceans, I predict that since icy worlds' oceans are heated from below, they will generally be unstratified, with constant potential density from top to bottom. There will be no pycnocline as on Earth, so global ocean currents supported by large-scale density gradients seem unlikely. However, icy world oceans may be "weird" in ways which are unheard-of in terrestrial oceanography The density of sulfate brine has a very different equation of state than chloride brines: does this affect the vertical structure? If the ocean water is very pure, cold water can be less dense than warm. Can this lead to periodic catastrophic overturning, as proposed by other authors? These and other questions are currently being investigated using the single-column convection model as a primary tool.

A simple procedure for the estimation of neutron skyshine from proton accelerators.

PubMed

Stevenson, G R; Thomas, R H

1984-01-01

Recent calculations of neutron diffusion at an air/ground interface have enabled the establishment of a very simple procedure for estimating neutron dose equivalent at large distances from proton accelerators in the energy range 10 MeV to several tens of GeV.

Modeling packed bed sorbent systems with the Pore Surface Diffusion Model: Evidence of facilitated surface diffusion of arsenate in nano-metal (hydr)oxide hybrid ion exchange media.

PubMed

Dale, Sachie; Markovski, Jasmina; Hristovski, Kiril D

2016-09-01

This study explores the possibility of employing the Pore Surface Diffusion Model (PSDM) to predict the arsenic breakthrough curve of a packed bed system operated under continuous flow conditions with realistic groundwater, and consequently minimize the need to conduct pilot scale tests. To provide the nano-metal (hydr)oxide hybrid ion exchange media's performance in realistic water matrices without engaging in taxing pilot scale testing, the multi-point equilibrium batch sorption tests under pseudo-equilibrium conditions were performed; arsenate breakthrough curve of short bed column (SBC) was predicted by the PSDM in the continuous flow experiments; SBC tests were conducted under the same conditions to validate the model. The overlapping Freundlich isotherms suggested that the water matrix and competing ions did not have any denoting effect on sorption capacity of the media when the matrix was changed from arsenic-only model water to real groundwater. As expected, the PSDM provided a relatively good prediction of the breakthrough profile for arsenic-only model water limited by intraparticle mass transports. In contrast, the groundwater breakthrough curve demonstrated significantly faster intraparticle mass transport suggesting to a surface diffusion process, which occurs in parallel to the pore diffusion. A simple selection of DS=1/2 DP appears to be sufficient when describing the facilitated surface diffusion of arsenate inside metal (hydr)oxide nano-enabled hybrid ion-exchange media in presence of sulfate, however, quantification of the factors determining the surface diffusion coefficient's magnitude under different treatment scenarios remained unexplored. Copyright © 2015 Elsevier B.V. All rights reserved.

Thermal homogeneity of plastication processes in single-screw extruders

NASA Astrophysics Data System (ADS)

Bu, L. X.; Agbessi, Y.; Béreaux, Y.; Charmeau, J.-Y.

2018-05-01

Single-screw plastication, used in extrusion and in injection moulding, is a major way of processing commodity thermoplastics. During the plastication phase, the polymeric material is melted by the combined effects of shear-induced self-heating (viscous dissipation) and heat conduction coming from the barrel. In injection moulding, a high level of reliability is usually achieved that makes this process ideally suited to mass market production. Nonetheless, process fluctuations still appear that make moulded part quality control an everyday issue. In this work, we used a combined modelling of plastication, throughput calculation and laminar dispersion, to investigate if, and how, thermal fluctuations could propagate along the screw length and affect the melt homogeneity at the end of the metering section. To do this, we used plastication models to relate changes in processing parameters to changes in the plastication length. Moreover, a simple model of throughput calculation is used to relate the screw geometry, the polymer rheology and the processing parameters to get a good estimate of the mass flow rate. Hence, we found that the typical residence time in a single screw is around one tenth of the thermal diffusion time scale. This residence time is too short for the dispersion coefficient to reach a steady state, but too long to be able to neglect radial thermal diffusion and resort to a purely convective solution. Therefore, a full diffusion/convection problem has to be solved with a base flow described by the classic pressure and drag velocity field. Preliminary results already show the major importance of the processing parameters in the breakthrough curve of an arbitrary temperature fluctuation at the end of the metering section of injection moulding screw. When the flow back-pressure is high, the temperature fluctuation is spread more evenly with time, whereas a pressure drop in the flow will results in a breakthrough curve which presents a larger peak of fluctuation.

Out-diffusion of deep donors in nitrogen-doped silicon and the diffusivity of vacancies

NASA Astrophysics Data System (ADS)

Voronkov, V. V.; Falster, R.

2012-07-01

A strong resistivity increase in annealed nitrogen-doped silicon samples was reported long ago—but has remained not fully understood. It is now shown that the complicated evolution of the resistivity depth profiles observed can be reproduced by a simple model based on the out-diffusion of some relevant species. Two versions of such an approach were analyzed: (A) out-diffusion of deep donors treated as VN (off-centre substitutional nitrogen), (B) out-diffusion of vacancies (V) and interstitial trimers (N3) produced by dissociation of VN3. Version B, although more complicated, is attractive due to a coincidence of the deduced vacancy diffusivity DV at 1000 °C with the value extrapolated from low-temperature data by Watkins.

Ion Pairing and Diffusion in Magnesium Electrolytes Based on Magnesium Borohydride.

PubMed

Samuel, Devon; Steinhauser, Carl; Smith, Jeffrey G; Kaufman, Aaron; Radin, Maxwell D; Naruse, Junichi; Hiramatsu, Hidehiko; Siegel, Donald J

2017-12-20

One obstacle to realizing a practical, rechargeable magnesium-ion battery is the development of efficient Mg electrolytes. Electrolytes based on simple Mg(BH 4 ) 2 salts suffer from poor salt solubility and/or low conductivity, presumably due to strong ion pairing. Understanding the molecular-scale processes occurring in these electrolytes would aid in overcoming these performance limitations. Toward this goal, the present study examines the solvation, agglomeration, and transport properties of a family of Mg electrolytes based on the Mg(BH 4 ) 2 salt using classical molecular dynamics. These properties were examined across five different solvents (tetrahydrofuran and the glymes G1-G4) and at four salt concentrations ranging from the dilute limit up to 0.4 M. Significant and irreversible salt agglomeration was observed in all solvents at all nondilute Mg(BH 4 ) 2 concentrations. The degree of clustering observed in these divalent Mg systems is much larger than that reported for electrolytes containing monovalent cations, such as Li. The salt agglomeration rate and diffusivity of Mg 2+ were both observed to correlate with solvent self-diffusivity: electrolytes using longer- (shorter-) chain solvents had the lowest (highest) Mg 2+ diffusivity and agglomeration rates. Incorporation of Mg 2+ into Mg 2+ -BH 4 - clusters significantly reduces the diffusivity of Mg 2+ by restricting displacements to localized motion within largely immobile agglomerates. Consequently, diffusion is increasingly impeded with increasing Mg(BH 4 ) 2 concentration. These data are consistent with the solubility limitations observed experimentally for Mg(BH 4 ) 2 -based electrolytes and highlight the need for strategies that minimize salt agglomeration in electrolytes containing divalent cations.

Fractionation of lithium isotopes in magmatic systems as a natural consequence of cooling

NASA Astrophysics Data System (ADS)

Gallagher, Kerry; Elliott, Tim

2009-02-01

High-temperature, diffusive fractionation has been invoked to account for striking Li isotopic variability recently observed within individual phenocrysts and xenolith minerals. It has been argued that chemical potential gradients required to drive such diffusion arise from changes in Li partitioning between coexisting phases during cooling. If so, Li isotopic zoning should be a common occurrence but the role of temperature-dependent partition coefficients in generating Li isotopic variability remains to be tested in a quantitative manner. Here we consider a basic scenario of a phenocryst in a cooling lava, using simple parameterisations of the temperature dependence of Li partitioning and diffusivity in clinopyroxene. Our model initially produces an asymmetric isotope profile across the crystal with a δ7Li minimum that remains close to the edge of a crystal. Such a distinctive shape mimics Li isotopic profiles documented in some olivine and clinopyroxene phenocrysts, which have isotopically normal cores but anomalously light rims. The temperature dependence of both the diffusivity and the partition coefficient of Li are key factors in generating this form of diffusion profile. Continued diffusion leads to an inversion in the sense of isotopic change between core and rim and results in the whole phenocryst attaining markedly light isotopic values. Our calculations show that significant Li isotopic zoning can occur as a natural consequence of cooling magmatic systems. Crystals that have experienced more complex thermal histories (e.g. re-entrained cumulates versus true phenocrysts) will therefore exhibit contrasting isotopic profiles and, as such, these data may be useful for tracing sub-volcanic processes.

Reconciling phase diffusion and Hartree-Fock approximation in condensate systems

NASA Astrophysics Data System (ADS)

Giorgi, Gian Luca; de Pasquale, Ferdinando

2012-01-01

Despite the weakly interacting regime, the physics of Bose-Einstein condensates is widely affected by particle-particle interactions. They determine quantum phase diffusion, which is known to be the main cause of loss of coherence. Studying a simple model of two interacting Bose systems, we show how to predict the appearance of phase diffusion beyond the Bogoliubov approximation, providing a self-consistent treatment in the framework of a generalized Hartree-Fock-Bogoliubov perturbation theory.

Theory of linear sweep voltammetry with diffuse charge: Unsupported electrolytes, thin films, and leaky membranes

NASA Astrophysics Data System (ADS)

Yan, David; Bazant, Martin Z.; Biesheuvel, P. M.; Pugh, Mary C.; Dawson, Francis P.

2017-03-01

Linear sweep and cyclic voltammetry techniques are important tools for electrochemists and have a variety of applications in engineering. Voltammetry has classically been treated with the Randles-Sevcik equation, which assumes an electroneutral supported electrolyte. In this paper, we provide a comprehensive mathematical theory of voltammetry in electrochemical cells with unsupported electrolytes and for other situations where diffuse charge effects play a role, and present analytical and simulated solutions of the time-dependent Poisson-Nernst-Planck equations with generalized Frumkin-Butler-Volmer boundary conditions for a 1:1 electrolyte and a simple reaction. Using these solutions, we construct theoretical and simulated current-voltage curves for liquid and solid thin films, membranes with fixed background charge, and cells with blocking electrodes. The full range of dimensionless parameters is considered, including the dimensionless Debye screening length (scaled to the electrode separation), Damkohler number (ratio of characteristic diffusion and reaction times), and dimensionless sweep rate (scaled to the thermal voltage per diffusion time). The analysis focuses on the coupling of Faradaic reactions and diffuse charge dynamics, although capacitive charging of the electrical double layers is also studied, for early time transients at reactive electrodes and for nonreactive blocking electrodes. Our work highlights cases where diffuse charge effects are important in the context of voltammetry, and illustrates which regimes can be approximated using simple analytical expressions and which require more careful consideration.

Case Study: From Gummy Bears to Celery Stalks--Diffusion and Osmosis

ERIC Educational Resources Information Center

Bonney, Kevin M.

2014-01-01

This article describes an interrupted case study that intersperses information about diffusion and osmosis with content review and knowledge application questions, as well as a simple experiment that can be conducted without the use of a laboratory. The case study was developed for use in an introductory undergraduate biology course. The case…

Numerical Simulation of the Perrin-Like Experiments

ERIC Educational Resources Information Center

Mazur, Zygmunt; Grech, Dariusz

2008-01-01

A simple model of the random Brownian walk of a spherical mesoscopic particle in viscous liquids is proposed. The model can be solved analytically and simulated numerically. The analytic solution gives the known Einstein-Smoluchowski diffusion law r[superscript 2] = 2Dt, where the diffusion constant D is expressed by the mass and geometry of a…

A novel method for calculating the energy barriers for carbon diffusion in ferrite under heterogeneous stress

NASA Astrophysics Data System (ADS)

Tchitchekova, Deyana S.; Morthomas, Julien; Ribeiro, Fabienne; Ducher, Roland; Perez, Michel

2014-07-01

A novel method for accurate and efficient evaluation of the change in energy barriers for carbon diffusion in ferrite under heterogeneous stress is introduced. This method, called Linear Combination of Stress States, is based on the knowledge of the effects of simple stresses (uniaxial or shear) on these diffusion barriers. Then, it is assumed that the change in energy barriers under a complex stress can be expressed as a linear combination of these already known simple stress effects. The modifications of energy barriers by either uniaxial traction/compression and shear stress are determined by means of atomistic simulations with the Climbing Image-Nudge Elastic Band method and are stored as a set of functions. The results of this method are compared to the predictions of anisotropic elasticity theory. It is shown that, linear anisotropic elasticity fails to predict the correct energy barrier variation with stress (especially with shear stress) whereas the proposed method provides correct energy barrier variation for stresses up to ˜3 GPa. This study provides a basis for the development of multiscale models of diffusion under non-uniform stress.

Microstructural changes in memory and reticular formation neural pathway after simple concussion☆

PubMed Central

Ouyang, Lin; Shi, Rongyue; Xiao, Yuhui; Meng, Jiarong; Guo, Yihe; Lu, Guangming

2012-01-01

Patients with concussion often present with temporary disturbance of consciousness. The microstructural and functional changes in the brain associated with concussion, as well as the relationship with transient cognitive disorders, are currently unclear. In the present study, a rabbit model of simple concussion was established. Magnetic resonance-diffusion tensor imaging results revealed that the corona radiata and midbrain exhibited significantly decreased fractional anisotropy values in the neural pathways associated with memory and the reticular formation. In addition, the apparent diffusion coefficient values were significantly increased following injury compared with those before injury. Following a 1-hour period of quiet rest, the fractional anisotropy values significantly increased, and apparent diffusion coefficient values significantly decreased, returning to normal pre-injury levels. In contrast, the fractional anisotropy values and apparent diffusion coefficient values in the corpus callosum, thalamus and hippocampus showed no statistical significant alterations following injury. These findings indicate that the neural pathways associated with memory and the reticular formation pathway exhibit reversible microstructural white matter changes when concussion occurs, and these changes are exhibited to a different extent in different regions. PMID:25538741

A novel method for calculating the energy barriers for carbon diffusion in ferrite under heterogeneous stress.

PubMed

Tchitchekova, Deyana S; Morthomas, Julien; Ribeiro, Fabienne; Ducher, Roland; Perez, Michel

2014-07-21

A novel method for accurate and efficient evaluation of the change in energy barriers for carbon diffusion in ferrite under heterogeneous stress is introduced. This method, called Linear Combination of Stress States, is based on the knowledge of the effects of simple stresses (uniaxial or shear) on these diffusion barriers. Then, it is assumed that the change in energy barriers under a complex stress can be expressed as a linear combination of these already known simple stress effects. The modifications of energy barriers by either uniaxial traction/compression and shear stress are determined by means of atomistic simulations with the Climbing Image-Nudge Elastic Band method and are stored as a set of functions. The results of this method are compared to the predictions of anisotropic elasticity theory. It is shown that, linear anisotropic elasticity fails to predict the correct energy barrier variation with stress (especially with shear stress) whereas the proposed method provides correct energy barrier variation for stresses up to ∼3 GPa. This study provides a basis for the development of multiscale models of diffusion under non-uniform stress.

Microstructural changes in memory and reticular formation neural pathway after simple concussion.

PubMed

Ouyang, Lin; Shi, Rongyue; Xiao, Yuhui; Meng, Jiarong; Guo, Yihe; Lu, Guangming

2012-10-05

Patients with concussion often present with temporary disturbance of consciousness. The microstructural and functional changes in the brain associated with concussion, as well as the relationship with transient cognitive disorders, are currently unclear. In the present study, a rabbit model of simple concussion was established. Magnetic resonance-diffusion tensor imaging results revealed that the corona radiata and midbrain exhibited significantly decreased fractional anisotropy values in the neural pathways associated with memory and the reticular formation. In addition, the apparent diffusion coefficient values were significantly increased following injury compared with those before injury. Following a 1-hour period of quiet rest, the fractional anisotropy values significantly increased, and apparent diffusion coefficient values significantly decreased, returning to normal pre-injury levels. In contrast, the fractional anisotropy values and apparent diffusion coefficient values in the corpus callosum, thalamus and hippocampus showed no statistical significant alterations following injury. These findings indicate that the neural pathways associated with memory and the reticular formation pathway exhibit reversible microstructural white matter changes when concussion occurs, and these changes are exhibited to a different extent in different regions.

Modelling Simple Experimental Platform for In Vitro Study of Drug Elution from Drug Eluting Stents (DES)

NASA Astrophysics Data System (ADS)

Kalachev, L. V.

2016-06-01

We present a simple model of experimental setup for in vitro study of drug release from drug eluting stents and drug propagation in artificial tissue samples representing blood vessels. The model is further reduced using the assumption on vastly different characteristic diffusion times in the stent coating and in the artificial tissue. The model is used to derive a relationship between the times at which the measurements have to be taken for two experimental platforms, with corresponding artificial tissue samples made of different materials with different drug diffusion coefficients, to properly compare the drug release characteristics of drug eluting stents.

Monosaccharide uptake by erythrocytes of the embryonic and adult chicken.

PubMed

Ingermann, R L; Stock, M K; Metcalfe, J; Bissonnette, J M

1985-01-01

Rates of monosaccharide uptake by adult and 10-18 day old embryonic chicken erythrocytes were quantitated. The rate of carrier-mediated, stereospecific transport decreased 28% from day 10 to day 14 of incubation and was unchanged thereafter. At no time, however, did the rate of carrier-mediated transport by embryonic erythrocytes differ significantly from that of the adult cells. The rate of transfer by simple diffusion was 3-5 fold faster in embryonic than in adult erythrocytes. Uptake by simple diffusion decreased slightly as the embryo developed. Chronic hyperoxic incubation (70% O2) had little influence on total monosaccharide uptake by embryonic erythrocytes.

Tracking Water Diffusion Fronts in a Highly Viscous Aerosol Particle

NASA Astrophysics Data System (ADS)

Bastelberger, Sandra; Krieger, Ulrich; Peter, Thomas

2016-04-01

Field measurements indicate that atmospheric secondary aerosol particles can be present in a highly viscous, glassy state [1]. In contrast to liquid state particles, the gas phase equilibration is kinetically limited and governed by condensed phase diffusion. In recent water diffusion experiments on highly viscous single aerosol particles levitated in an electrodynamic balance (EDB) we observed a characteristic shift behavior of the Mie whispering gallery modes (WGM) indicative of the changing radial structure of the particle, thus providing us with an experimental method to track the diffusion process inside the particle. When a highly viscous, homogeneous particle is exposed to an abrupt increase in relative humidity, the rapid gas phase diffusion and strong concentration dependence of the diffusion coefficient in the condensed phase lead to extremely steep water concentration gradients inside the particle, reminiscent of diffusion fronts. The resulting quasi step-like concentration profile motivates the introduction of a simple core-shell model describing the morphology of the non-equilibrium particle during humidification. The subsequent particle growth and reduction of the shell refractive index can be observed as red and blueshift behavior of the WGM, respectively. The shift pattern can be attributed to a core-shell radius ratio and particle radius derived from model calculations [2]. If supplemented with growth information obtained from the WGM redshift and thermodynamic equilibrium data, we can infer a comprehensive picture of the time evolution of the diffusion fronts in the framework of our core-shell model. The measured time dependent concentration profile is then compared with simulations solving the non-linear diffusion equation [3] [1] Virtanen, A., et al., Nature, 467, 824-827, 2010 [2] Kaiser, T., Schweiger, G., Computers in Physics, Vol. 7, No. 6, 682-686, Nov/Dec 1993 [3] Zobrist, B., Soonsin, V., Luo, B.P., Peter, T. et al., Phys. Chem. Chem. Phys., 13,3514-3526, 2011

Effect of upstream ULF waves on the energetic ion diffusion at the earth's foreshock: Theory, Simulation, and Observations

NASA Astrophysics Data System (ADS)

Otsuka, F.; Matsukiyo, S.; Kis, A.; Hada, T.

2017-12-01

Spatial diffusion of energetic particles is an important problem not only from a fundamental physics point of view but also for its application to particle acceleration processes at astrophysical shocks. Quasi-linear theory can provide the spatial diffusion coefficient as a function of the wave turbulence spectrum. By assuming a simple power-law spectrum for the turbulence, the theory has been successfully applied to diffusion and acceleration of cosmic rays in the interplanetary and interstellar medium. Near the earth's foreshock, however, the wave spectrum often has an intense peak, presumably corresponding to the upstream ULF waves generated by the field-aligned beam (FAB). In this presentation, we numerically and theoretically discuss how the intense ULF peak in the wave spectrum modifies the spatial parallel diffusion of energetic ions. The turbulence is given as a superposition of non-propagating transverse MHD waves in the solar wind rest frame, and its spectrum is composed of a piecewise power-law spectrum with different power-law indices. The diffusion coefficients are then estimated by using the quasi-linear theory and test particle simulations. We find that the presence of the ULF peak produces a concave shape of the diffusion coefficient when it is plotted versus the ion energy. The results above are used to discuss the Cluster observations of the diffuse ions at the Earth's foreshock. Using the density gradients of the energetic ions detected by the Cluster spacecraft, we determine the e-folding distances, equivalently, the spatial diffusion coefficients, of ions with their energies from 10 to 32 keV. The observed e-folding distances are significantly smaller than those estimated in the past statistical studies. This suggests that the particle acceleration at the foreshock can be more efficient than considered before. Our test particle simulation explains well the small estimate of the e-folding distances, by using the observed wave turbulence spectrum near the shock.

Self-diffusion in compressively strained Ge

NASA Astrophysics Data System (ADS)

Kawamura, Yoko; Uematsu, Masashi; Hoshi, Yusuke; Sawano, Kentarou; Myronov, Maksym; Shiraki, Yasuhiro; Haller, Eugene E.; Itoh, Kohei M.

2011-08-01

Under a compressive biaxial strain of ˜ 0.71%, Ge self-diffusion has been measured using an isotopically controlled Ge single-crystal layer grown on a relaxed Si0.2Ge0.8 virtual substrate. The self-diffusivity is enhanced by the compressive strain and its behavior is fully consistent with a theoretical prediction of a generalized activation volume model of a simple vacancy mediated diffusion, reported by Aziz et al. [Phys. Rev. B 73, 054101 (2006)]. The activation volume of (-0.65±0.21) times the Ge atomic volume quantitatively describes the observed enhancement due to the compressive biaxial strain very well.

Invisibility cloaking in the diffusive-light limit (presentation video)

NASA Astrophysics Data System (ADS)

Schittny, Robert; Kadic, Muamer; Wegener, Martin

2014-09-01

Albert Einstein's theory of relativity imposes stringent limitations to making macroscopic objects invisible with respect to electromagnetic light waves propagating in vacuum. These limitations are not relevant though for propagation of light in diffusive media like fog or milk because the effective energy speed is significantly lower than in vacuum due to multiple scattering events. Here, by exploiting the close mathematical analogy between the electrostatic or near-field limit of optics on the one hand and light diffusion on the other hand, we design, fabricate, and characterize simple core-shell cloaking structures for diffusive light propagation in cylindrical and spherical geometry.

Prediction of Transport Properties of Permeants through Polymer Films. A Simple Gravimetric Experiment.

ERIC Educational Resources Information Center

Britton, L. N.; And Others

1988-01-01

Considers the applicability of the simple emersion/weight-gain method for predicting diffusion coefficients, solubilities, and permeation rates of chemicals in polymers that do not undergo physical and chemical deterioration. Presents the theoretical background, procedures and typical results related to this activity. (CW)

Welding arc plasma physics

NASA Technical Reports Server (NTRS)

Cain, Bruce L.

1990-01-01

The problems of weld quality control and weld process dependability continue to be relevant issues in modern metal welding technology. These become especially important for NASA missions which may require the assembly or repair of larger orbiting platforms using automatic welding techniques. To extend present welding technologies for such applications, NASA/MSFC's Materials and Processes Lab is developing physical models of the arc welding process with the goal of providing both a basis for improved design of weld control systems, and a better understanding of how arc welding variables influence final weld properties. The physics of the plasma arc discharge is reasonably well established in terms of transport processes occurring in the arc column itself, although recourse to sophisticated numerical treatments is normally required to obtain quantitative results. Unfortunately the rigor of these numerical computations often obscures the physics of the underlying model due to its inherent complexity. In contrast, this work has focused on a relatively simple physical model of the arc discharge to describe the gross features observed in welding arcs. Emphasis was placed of deriving analytic expressions for the voltage along the arc axis as a function of known or measurable arc parameters. The model retains the essential physics for a straight polarity, diffusion dominated free burning arc in argon, with major simplifications of collisionless sheaths and simple energy balances at the electrodes.

A transmission-grating-modulated pump-probe absorption spectroscopy and demonstration of diffusion dynamics of photoexcited carriers in bulk intrinsic GaAs film.

PubMed

Chen, Ke; Wang, Wenfang; Chen, Jianming; Wen, Jinhui; Lai, Tianshu

2012-02-13

A transmission-grating-modulated time-resolved pump-probe absorption spectroscopy is developed and formularized. The spectroscopy combines normal time-resolved pump-probe absorption spectroscopy with a binary transmission grating, is sensitive to the spatiotemporal evolution of photoinjected carriers, and has extensive applicability in the study of diffusion transport dynamics of photoinjected carriers. This spectroscopy has many advantages over reported optical methods to measure diffusion dynamics, such as simple experimental setup and operation, and high detection sensitivity. The measurement of diffusion dynamics is demonstrated on bulk intrinsic GaAs films. A carrier density dependence of carrier diffusion coefficient is obtained and agrees well with reported results.

Complex Geometric Models of Diffusion and Relaxation in Healthy and Damaged White Matter

PubMed Central

Farrell, Jonathan A.D.; Smith, Seth A.; Reich, Daniel S.; Calabresi, Peter A.; van Zijl, Peter C.M.

2010-01-01

Which aspects of tissue microstructure affect diffusion weighted MRI signals? Prior models, many of which use Monte-Carlo simulations, have focused on relatively simple models of the cellular microenvironment and have not considered important anatomic details. With the advent of higher-order analysis models for diffusion imaging, such as high-angular-resolution diffusion imaging (HARDI), more realistic models are necessary. This paper presents and evaluates the reproducibility of simulations of diffusion in complex geometries. Our framework is quantitative, does not require specialized hardware, is easily implemented with little programming experience, and is freely available as open-source software. Models may include compartments with different diffusivities, permeabilities, and T2 time constants using both parametric (e.g., spheres and cylinders) and arbitrary (e.g., mesh-based) geometries. Three-dimensional diffusion displacement-probability functions are mapped with high reproducibility, and thus can be readily used to assess reproducibility of diffusion-derived contrasts. PMID:19739233

Collective diffusion and quantum chaos in holography

NASA Astrophysics Data System (ADS)

Wu, Shao-Feng; Wang, Bin; Ge, Xian-Hui; Tian, Yu

2018-05-01

We define a particular combination of charge and heat currents that is decoupled with the heat current. This "heat-decoupled" (HD) current can be transported by diffusion at long distances, when some thermoelectric conductivities and susceptibilities satisfy a simple condition. Using the diffusion condition together with the Kelvin formula, we show that the HD diffusivity can be same as the charge diffusivity and also the heat diffusivity. We illustrate that such mechanism is implemented in a strongly coupled field theory, which is dual to a Lifshitz gravity with the dynamical critical index z =2 . In particular, it is exhibited that both charge and heat diffusivities build the relationship to the quantum chaos. Moreover, we study the HD diffusivity without imposing the diffusion condition. In some homogeneous holographic lattices, it is found that the diffusivity/chaos relation holds independently of any parameters, including the strength of momentum relaxation, chemical potential, or temperature. We also show a counter example of the relation and discuss its limited universality.

Front fingering and complex dynamics driven by the interaction of buoyancy and diffusive instabilities.

PubMed

D'Hernoncourt, J; Merkin, J H; De Wit, A

2007-09-01

Traveling fronts can become transversally unstable either because of a diffusive instability arising when the key variables diffuse at sufficiently different rates or because of a buoyancy-driven Rayleigh-Taylor mechanism when the density jump across the front is statically unfavorable. The interaction between such diffusive and buoyancy instabilities of fronts is analyzed theoretically for a simple model system. Linear stability analysis and nonlinear simulations show that their interplay changes considerably the stability properties with regard to the pure Rayleigh-Taylor or diffusive instabilities of fronts. In particular, an instability scenario can arise which triggers convection around statically stable fronts as a result of differential diffusion. Moreover, spatiotemporal chaos can be observed when both buoyancy and diffusive effects cooperate to destabilize the front. Experimental conditions to test our predictions are suggested.

Hot-electron thermocouple and the diffusion thermopower of two-dimensional electrons in GaAs.

PubMed

Chickering, W E; Eisenstein, J P; Reno, J L

2009-07-24

A simple hot-electron thermocouple is realized in a two-dimensional electron system (2DES) and used to measure the diffusion thermopower of the 2DES at zero magnetic field. This hot-electron technique, which requires no micron-scale patterning of the 2DES, is much less sensitive than conventional methods to phonon-drag effects. Our thermopower results are in good agreement with the Mott formula for diffusion thermopower for temperatures up to T approximately 2 K.

Dynamical Stochastic Processes of Returns in Financial Markets

NASA Astrophysics Data System (ADS)

Kim, Kyungsik; Kim, Soo Yong; Lim, Gyuchang; Zhou, Junyuan; Yoon, Seung-Min

2006-03-01

We show how the evolution of probability distribution functions of the returns from the tick data of the Korean treasury bond futures (KTB) and the S&P 500 stock index can be described by means of the Fokker-Planck equation. We derive the Fokker- Planck equation from the estimated Kramers-Moyal coefficients estimated directly from the empirical data. By analyzing the statistics of the returns, we present the quantitative deterministic and random influences on both financial time series, for which we can give a simple physical interpretation. Finally, we remark that the diffusion coefficient should be significantly considered to make a portfolio.

An Application of Epidemiological Modeling to Information Diffusion

NASA Astrophysics Data System (ADS)

McCormack, Robert; Salter, William

Messages often spread within a population through unofficial - particularly web-based - media. Such ideas have been termed "memes." To impede the flow of terrorist messages and to promote counter messages within a population, intelligence analysts must understand how messages spread. We used statistical language processing technologies to operationalize "memes" as latent topics in electronic text and applied epidemiological techniques to describe and analyze patterns of message propagation. We developed our methods and applied them to English-language newspapers and blogs in the Arab world. We found that a relatively simple epidemiological model can reproduce some dynamics of observed empirical relationships.

Modeling and analyzing stripe patterns in fish skin

NASA Astrophysics Data System (ADS)

Zheng, Yibo; Zhang, Lei; Wang, Yuan; Liang, Ping; Kang, Junjian

2009-11-01

The formation mechanism of stripe patterns in the skin of tropical fishes has been investigated by a coupled two variable reaction diffusion model. Two types of spatial inhomogeneities have been introduced into a homogenous system. Several Turing modes pumped by the Turing instability give rise to a simple stripe pattern. It is found that the Turing mechanism can only determine the wavelength of stripe pattern. The orientation of stripe pattern is determined by the spatial inhomogeneity. Our numerical results suggest that it may be the most possible mechanism for the forming process of fish skin patterns.

A simulation of water pollution model parameter estimation

NASA Technical Reports Server (NTRS)

Kibler, J. F.

1976-01-01

A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

Interconnected V2O5 nanoporous network for high-performance supercapacitors.

PubMed

Saravanakumar, B; Purushothaman, Kamatchi K; Muralidharan, G

2012-09-26

Vanadium pentoxide (V(2)O(5)) has attracted attention for supercapcitor applications because of its extensive multifunctional properties. In the present study, V(2)O(5) nanoporous network was synthesized via simple capping-agent-assisted precipitation technique and it is further annealed at different temperatures. The effect of annealing temperature on the morphology, electrochemical and structural properties, and stability upon oxidation-reduction cycling has been analyzed for supercapacitor application. We achieved highest specific capacitance of 316 F g(-1) for interconnected V(2)O(5) nanoporous network. This interconnected nanoporous network creates facile nanochannels for ion diffusion and facilitates the easy accessibility of ions. Moreover, after six hundred consecutive cycling processes the specific capacitance has changed only by 24%. A simple cost-effective preparation technique of V(2)O(5) nanoporous network with excellent capacitive behavior, energy density, and stability encourages its possible commercial exploitation for the development of high-performance supercapacitors.

Mechano-genetic DNA hydrogels as a simple, reconstituted model to probe the effect of active fluctuations on gene transcription

NASA Astrophysics Data System (ADS)

Nguyen, Dan; Saleh, Omar

Active fluctuations - non-directed fluctuations attributable, not to thermal energy, but to non-equilibrium processes - are thought to influence biology by increasing the diffusive motion of biomolecules. Dense DNA regions within cells (i.e. chromatin) are expected to exhibit such phenomena, as they are cross-linked networks that continually experience propagating forces arising from dynamic cellular activity. Additional agitation within these gene-encoding DNA networks could have potential genetic consequences. By changing the local mobility of transcriptional machinery and regulatory proteins towards/from their binding sites, and thereby influencing transcription rates, active fluctuations could prove to be a physical means of modulating gene expression. To begin probing this effect, we construct genetic DNA hydrogels, as a simple, reconstituted model of chromatin, and quantify transcriptional output from these hydrogels in the presence/absence of active fluctuations.

Growth of Ni nanoclusters on irradiated graphene: a molecular dynamics study.

PubMed

Valencia, F J; Hernandez-Vazquez, E E; Bringa, E M; Moran-Lopez, J L; Rogan, J; Gonzalez, R I; Munoz, F

2018-04-23

We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big clusters comprise an appreciable fraction of the total number of Ni atoms. The aggregation of Ni atoms is also modeled by means of a simple phenomenological model. The results are in clear contrast with the case of hard or energetic landing of metal atoms, where there is a tendency to form mono-disperse metal clusters. This behavior is attributed to the high diffusion of unattached Ni atoms, together with vacancies acting as capture centers. The findings of this work show that a simple study of the energetics of the system is not enough in the soft landing regime, where it is unavoidable to also consider the growth process of metal clusters.

Semi-empirical master curve concept describing the rate capability of lithium insertion electrodes

NASA Astrophysics Data System (ADS)

Heubner, C.; Seeba, J.; Liebmann, T.; Nickol, A.; Börner, S.; Fritsch, M.; Nikolowski, K.; Wolter, M.; Schneider, M.; Michaelis, A.

2018-03-01

A simple semi-empirical master curve concept, describing the rate capability of porous insertion electrodes for lithium-ion batteries, is proposed. The model is based on the evaluation of the time constants of lithium diffusion in the liquid electrolyte and the solid active material. This theoretical approach is successfully verified by comprehensive experimental investigations of the rate capability of a large number of porous insertion electrodes with various active materials and design parameters. It turns out, that the rate capability of all investigated electrodes follows a simple master curve governed by the time constant of the rate limiting process. We demonstrate that the master curve concept can be used to determine optimum design criteria meeting specific requirements in terms of maximum gravimetric capacity for a desired rate capability. The model further reveals practical limits of the electrode design, attesting the empirically well-known and inevitable tradeoff between energy and power density.

Efficient and precise calculation of the b-matrix elements in diffusion-weighted imaging pulse sequences.

PubMed

Zubkov, Mikhail; Stait-Gardner, Timothy; Price, William S

2014-06-01

Precise NMR diffusion measurements require detailed knowledge of the cumulative dephasing effect caused by the numerous gradient pulses present in most NMR pulse sequences. This effect, which ultimately manifests itself as the diffusion-related NMR signal attenuation, is usually described by the b-value or the b-matrix in the case of multidirectional diffusion weighting, the latter being common in diffusion-weighted NMR imaging. Neglecting some of the gradient pulses introduces an error in the calculated diffusion coefficient reaching in some cases 100% of the expected value. Therefore, ensuring the b-matrix calculation includes all the known gradient pulses leads to significant error reduction. Calculation of the b-matrix for simple gradient waveforms is rather straightforward, yet it grows cumbersome when complexly shaped and/or numerous gradient pulses are introduced. Making three broad assumptions about the gradient pulse arrangement in a sequence results in an efficient framework for calculation of b-matrices as well providing some insight into optimal gradient pulse placement. The framework allows accounting for the diffusion-sensitising effect of complexly shaped gradient waveforms with modest computational time and power. This is achieved by using the b-matrix elements of the simple unmodified pulse sequence and minimising the integration of the complexly shaped gradient waveform in the modified sequence. Such re-evaluation of the b-matrix elements retains all the analytical relevance of the straightforward approach, yet at least halves the amount of symbolic integration required. The application of the framework is demonstrated with the evaluation of the expression describing the diffusion-sensitizing effect, caused by different bipolar gradient pulse modules. Copyright © 2014 Elsevier Inc. All rights reserved.

The Isothermal Dendritic Growth Experiment Archive

NASA Astrophysics Data System (ADS)

Koss, Matthew

2009-03-01

The growth of dendrites is governed by the interplay between two simple and familiar processes---the irreversible diffusion of energy, and the reversible work done in the formation of new surface area. To advance our understanding of these processes, NASA sponsored a project that flew on the Space Shuttle Columbia is 1994, 1996, and 1997 to record and analyze benchmark data in an apparent-microgravity ``laboratory.'' In this laboratory, energy transfer by gravity driven convection was essentially eliminated and one could test independently, for the first time, both components of dendritic growth theory. The analysis of this data shows that although the diffusion of energy can be properly accounted for, the results from interfacial physics appear to be in disagreement and alternate models should receive increased attention. Unfortunately, currently and for the foreseeable future, there is no access or financial support to develop and conduct additional experiments of this type. However, the benchmark data of 35mm photonegatives, video, and all supporting instrument data are now available at the IDGE Archive at the College of the Holy Cross. This data may still have considerable relevance to researchers working specifically with dendritic growth, and more generally those working in the synthesis, growth & processing of materials, multiscale computational modeling, pattern formation, and systems far from equilibrium.

Using rapid infrared forming to control interfaces in titanium-matrix composites

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

Warrier, S.G.; Lin, R.Y.

1993-03-01

Control of the fiber-matrix reaction during composite fabrication is commonly achieved by shortening the processing time, coating the reinforcement with relatively inert materials, or adding alloying elements to retard the reaction. To minimize the processing time, a rapid IR forming (RIF) technique for metal-matrix composite fabrication has been developed. Experiments have shown that the RIF technique is a quick, simple, and low-cost process to fabricate titanium-alloy matrix composites reinforced with either silicon carbide or carbon fibers. Due to short processing times (typically on the order of 1-2 minutes in an inert atmosphere for composites with up to eight-ply reinforcements), themore » interfacial reaction is limited and well controlled. Composites fabricated by this technique have mechanical properties that are comparable to (in several cases, superior to) those made with conventional diffusion-bonding techniques. 21 refs.« less

Mathematical Model for the Mineralization of Bone

NASA Technical Reports Server (NTRS)

Martin, Bruce

1994-01-01

A mathematical model is presented for the transport and precipitation of mineral in refilling osteons. One goal of this model was to explain calcification 'halos,' in which the bone near the haversian canal is more highly mineralized than the more peripheral lamellae, which have been mineralizing longer. It was assumed that the precipitation rate of mineral is proportional to the difference between the local concentration of calcium ions and an equilibrium concentration and that the transport of ions is by either diffusion or some other concentration gradient-dependent process. Transport of ions was assumed to be slowed by the accumulation of mineral in the matrix along the transport path. ne model also mimics bone apposition, slowing of apposition during refilling, and mineralization lag time. It was found that simple diffusion cannot account for the transport of calcium ions into mineralizing bone, because the diffusion coefficient is two orders of magnitude too low. If a more rapid concentration gradient-driven means of transport exists, the model demonstrates that osteonal geometry and variable rate of refilling work together to produce calcification halos, as well as the primary and secondary calcification effect reported in the literature.

Improved Cook-off Modeling of Multi-component Cast Explosives

NASA Astrophysics Data System (ADS)

Nichols, Albert

2017-06-01

In order to understand the hazards associated with energetic materials, it is important to understand their behavior in adverse thermal environments. These processes have been relatively well understood for solid explosives, however, the same cannot be said for multi-component melt-cast explosives. Here we describe the continued development of ALE3D, a coupled thermal/chemical/mechanical code, to improve its description of fluid explosives. The improved physics models include: 1) Chemical potential driven species segregation. This model allows us to model the complex flow fields associated with the melting and decomposing Comp-B, where the denser RDX tends to settle and the decomposing gasses rise, 2) Automatically scaled stream-wise diffusion model for thermal, species, and momentum diffusion. These models add sufficient numerical diffusion in the direction of flow to maintain numerical stability when the system is under resolved, as occurs for large systems. And 3) a slurry viscosity model, required to properly define the flow characteristics of the multi-component fluidized system. These models will be demonstrated on a simple Comp-B system. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Nucleation of rotating crystals by Thiovulum majus bacteria

NASA Astrophysics Data System (ADS)

Petroff, A. P.; Libchaber, A.

2018-01-01

Thiovulum majus self-organize on glass surfaces into active two-dimensional crystals of rotating cells. Unlike classical crystals, these bacterial crystallites continuously rotate and reorganize as the power of rotating cells is dissipated by the surrounding flow. In this article, we describe the earliest stage of crystallization, the attraction of two bacteria into a hydrodynamically-bound dimer. This process occurs in three steps. First a free-swimming cell collides with the wall and becomes hydrodynamically bound to the two-dimensional surface. We present a simple model to understand how viscous forces localize cells near the chamber walls. Next, the cell diffuses over the surface for an average of 63+/- 6 s before escaping to the bulk fluid. The diffusion coefficient {D}{{eff}}=7.98 +/- 0.1 μ {{{m}}}2 {{{s}}}-1 of these 8.5 μ {{m}} diameter cells corresponds to a temperature of (4.16+/- 0.05)× {10}4 K, and thus cannot be explained by equilibrium fluctuations. Finally, two cells coalesce into a rotating dimer when the convergent flow created by each cell overwhelms their active Brownian motion. This occurs when cells diffuse to within a distance of 13.3 ± 0.2 μm of each other.

Nanoscale charge transfer and diffusion at the MoS2/SiO2 interface by atomic force microscopy: contact injection versus triboelectrification.

PubMed

Xu, Rui; Ye, Shili; Xu, Kunqi; Lei, Le; Hussain, Sabir; Zheng, Zhiyue; Pang, Fei; Xing, Shuya; Liu, Xinmeng; Ji, Wei; Cheng, Zhihai

2018-08-31

Understanding the process of charge generation, transfer, and diffusion between two-dimensional (2D) materials and their supporting substrates is very important for potential applications of 2D materials. Compared with the systematic studies of triboelectric charging in a bulk sample, a fundamental understanding of the triboelectrification of the 2D material/insulator system is rather limited. Here, the charge transfer and diffusion of both the SiO 2 surface and MoS 2 /SiO 2 interface through contact electrification and frictional electrification are investigated systematically in situ by scanning Kelvin probe microscopy and dual-harmonic electrostatic force microscopy. Different from the simple static charge transfer between SiO 2 and the PtSi alloy atomic force microscope (AFM) tip, the charge transfer between the tip and the MoS 2 /SiO 2 system is complicated. Triboelectric charges, generated by contact or frictional electrification with the AFM tip, are trapped at the MoS 2 /SiO 2 interface and act as floating gates. The local charge discharge processes can be obtained by monitoring the surface potential. The charge decay time (τ) of the MoS 2 /SiO 2 interface is one (or two) orders of magnitude larger than the decay time τ of the SiO 2 surface. This work facilitates an understanding of the triboelectric and de-electrification of the interface between 2D materials and substrates. In addition to the charge transfer and diffusion, we demonstrate the nanopatterns of surface and interfacial charges, which have great potential for the application of self-assembly of charged nanostructures.

Micro- and Nano-scale Diffusion Domains Acting as Kinetic Controls for U(VI) Release to the Hanford 300-Area Aquifer

NASA Astrophysics Data System (ADS)

Stoliker, D. L.; Hay, M. B.; Davis, J. A.; Zachara, J. M.

2008-12-01

The 300-Area of the Hanford reservation, a cold-war era nuclear processing facility, is plagued by long-term elevated concentrations of U(VI) in the underlying aquifer. While the sediment U(VI) concentration is relatively low, it continues to act as a source and sink for the contaminant, allowing for persistent groundwater concentrations well above the maximum contamination limit (MCL). Simple Kd modeling of the attenuation of U(VI) in the aquifer predicted that groundwater U(VI) concentrations would decrease to below the drinking water standard by the year 2002. However, grain-scale morphology of the aquifer material suggests that intra-grain flow paths and mineral coatings, in which sorption complexes and precipitates formed over years of waste disposal, provide a significant kinetic constraint that slows groundwater flushing of the sediments. In order to quantify the impact of diffusion kinetics on the release of U(VI), high-resolution, non-reactive tracer studies were conducted on vadose zone sediments in both column and batch reactors. Systems were equilibrated for long time scales with tritated artificial groundwater and then flushed with flow and stop-flow events included for columns. Previously collected U(VI) release data from batch dissolution/desorption studies is compared with tritium tracer diffusion kinetics as well as porosimetry and detailed microscopy characterization. The micro-scale and nano-scale diffusion regimes, including intra-granular regions as well as mineral coatings, represent a significant potential long-term source of contaminant U(VI). Understanding the physical kinetic limitations coupled with the complex chemistry of U(VI) sorption processes within natural systems is an important step forward in providing information to strengthen field-scale reactive transport simulations.

Controlled Formation of Radial Core-Shell Si/Metal Silicide Crystalline Heterostructures.

PubMed

Kosloff, Alon; Granot, Eran; Barkay, Zahava; Patolsky, Fernando

2018-01-10

The highly controlled formation of "radial" silicon/NiSi  core-shell nanowire heterostructures has been demonstrated for the first time. Here, we investigated the "radial" diffusion of nickel atoms into crystalline nanoscale silicon pillar 11 cores, followed by nickel silicide phase formation and the creation of a well-defined shell structure. The described approach is based on a two-step thermal process, which involves metal diffusion at low temperatures in the range of 200-400 °C, followed by a thermal curing step at a higher temperature of 400 °C. In-depth crystallographic analysis was performed by nanosectioning the resulting silicide-shelled silicon nanopillar heterostructures, giving us the ability to study in detail the newly formed silicide shells. Remarkably, it was observed that the resulting silicide shell thickness has a self-limiting behavior, and can be tightly controlled by the modulation of the initial diffusion-step temperature. In addition, electrical measurements of the core-shell structures revealed that the resulting shells can serve as an embedded conductive layer in future optoelectronic applications. This research provides a broad insight into the Ni silicide "radial" diffusion process at the nanoscale regime, and offers a simple approach to form thickness-controlled metal silicide shells in the range of 5-100 nm around semiconductor nanowire core structures, regardless the diameter of the nanowire cores. These high quality Si/NiSi core-shell nanowire structures will be applied in the near future as building blocks for the creation of utrathin highly conductive optically transparent top electrodes, over vertical nanopillars-based solar cell devices, which may subsequently lead to significant performance improvements of these devices in terms of charge collection and reduced recombination.

Entropy production in mesoscopic stochastic thermodynamics: nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces

NASA Astrophysics Data System (ADS)

Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B.; Bedeaux, Dick

2016-04-01

Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager’s reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.

Transport through a network of capillaries from ultrametric diffusion equation with quadratic nonlinearity

NASA Astrophysics Data System (ADS)

Oleschko, K.; Khrennikov, A.

2017-10-01

This paper is about a novel mathematical framework to model transport (of, e.g., fluid or gas) through networks of capillaries. This framework takes into account the tree structure of the networks of capillaries. (Roughly speaking, we use the tree-like system of coordinates.) As is well known, tree-geometry can be topologically described as the geometry of an ultrametric space, i.e., a metric space in which the metric satisfies the strong triangle inequality: in each triangle, the third side is less than or equal to the maximum of two other sides. Thus transport (e.g., of oil or emulsion of oil and water in porous media, or blood and air in biological organisms) through networks of capillaries can be mathematically modelled as ultrametric diffusion. Such modelling was performed in a series of recently published papers of the authors. However, the process of transport through capillaries can be only approximately described by the linear diffusion, because the concentration of, e.g., oil droplets, in a capillary can essentially modify the dynamics. Therefore nonlinear dynamical equations provide a more adequate model of transport in a network of capillaries. We consider a nonlinear ultrametric diffusion equation with quadratic nonlinearity - to model transport in such a network. Here, as in the linear case, we apply the theory of ultrametric wavelets. The paper also contains a simple introduction to theory of ultrametric spaces and analysis on them.

Chemical morphogenesis: recent experimental advances in reaction–diffusion system design and control

PubMed Central

Szalai, István; Cuiñas, Daniel; Takács, Nándor; Horváth, Judit; De Kepper, Patrick

2012-01-01

In his seminal 1952 paper, Alan Turing predicted that diffusion could spontaneously drive an initially uniform solution of reacting chemicals to develop stable spatially periodic concentration patterns. It took nearly 40 years before the first two unquestionable experimental demonstrations of such reaction–diffusion patterns could be made in isothermal single phase reaction systems. The number of these examples stagnated for nearly 20 years. We recently proposed a design method that made their number increase to six in less than 3 years. In this report, we formally justify our original semi-empirical method and support the approach with numerical simulations based on a simple but realistic kinetic model. To retain a number of basic properties of real spatial reactors but keep calculations to a minimal complexity, we introduce a new way to collapse the confined spatial direction of these reactors. Contrary to similar reduced descriptions, we take into account the effect of the geometric size in the confinement direction and the influence of the differences in the diffusion coefficient on exchange rates of species with their feed environment. We experimentally support the method by the observation of stationary patterns in red-ox reactions not based on oxihalogen chemistry. Emphasis is also brought on how one of these new systems can process different initial conditions and memorize them in the form of localized patterns of different geometries. PMID:23919126

Oxygen diffusion and consumption in extracellular matrix gels: implications for designing three-dimensional cultures.

PubMed

Colom, Adai; Galgoczy, Roland; Almendros, Isaac; Xaubet, Antonio; Farré, Ramon; Alcaraz, Jordi

2014-08-01

Three-dimensional (3D) cultures are increasingly used as tissue surrogates to study many physiopathological processes. However, to what extent current 3D culture protocols provide physiologic oxygen tension conditions remains ill defined. To address this limitation, oxygen tension was measured in a panel of acellular or cellularized extracellular matrix (ECM) gels with A549 cells, and analyzed in terms of oxygen diffusion and consumption. Gels included reconstituted basement membrane, fibrin and collagen. Oxygen diffusivity in acellular gels was up to 40% smaller than that of water, and the lower values were observed in the denser gels. In 3D cultures, physiologic oxygen tension was achieved after 2 days in dense (≥3 mg/mL) but not sparse gels, revealing that the latter gels are not suitable tissue surrogates in terms of oxygen distribution. In dense gels, we observed a dominant effect of ECM composition over density in oxygen consumption. All diffusion and consumption data were used in a simple model to estimate ranges for gel thickness, seeding density and time-window that may support physiologic oxygen tension. Thus, we identified critical variables for oxygen tension in ECM gels, and introduced a model to assess initial values of these variables, which may short-cut the optimization step of 3D culture studies. © 2013 Wiley Periodicals, Inc.

Diffusion models for corona formation in metagabbros from the Western Grenville Province, Canada

NASA Astrophysics Data System (ADS)

Grant, Shona M.

1988-01-01

Metagabbro bodies in SW Grenville Province display a variety of disequilibrium corona textures between spinel-clouded plagioclase and primary olivine or opaque oxide. Textural evidence favours a single-stage, subsolidus origin for the olivine coronas and diffusive mass transfer is believed to have been the rate-controlling process. Irreversible thermodynamics have been used to model two different garnet symplectite-bearing corona sequences in terms of steady state diffusion. In the models the flux of each component is related to the chemical potential gradients of all diffusing species by the Onsager or L-coefficients for diffusion. These coefficients are analogous to experimentally determined diffusion coefficients ( d), but relate the flux of components to chemical potential rather than concentration gradients. The major constraint on the relative values of Onsager coefficients comes from the observed mole fraction, X, of garnet in the symplectites; in (amph-gt) symplectites X {Gt/Sym}˜0.80, compared with ˜0.75 in (cpx-gt) symplectites. Several models using simple oxide components, and two different modifications of the reactant plagioclase composition, give the following qualitative results: the very low mobility of aluminium appears to control the rate of corona formation. Mg and Fe have similar mobility, and Mg can be up to 6 8 times more mobile than sodium. Determination of calcium mobility is problematical because of a proposed interaction with cross-coefficient terms reflecting “uphill” Ca-diffusion, i.e., calcium diffusing up its own chemical potential gradient. If these terms are not introduced, it is difficult to generate the required proportions of garnet in the symplectite. However, at moderate values of the cross-coefficient ratios, Mg can be up to 4 6 times more mobile than calcium ( L MgMg/LCaCa<4 6) and calcium must be 3 4 times more mobile than aluminium ( L CaCa/LAlAl>3).

Holographic diffuser by use of a silver halide sensitized gelatin process

NASA Astrophysics Data System (ADS)

Kim, Sun Il; Choi, Yoon Sun; Ham, Yong Nam; Park, Chong Yun; Kim, Jong Man

2003-05-01

Diffusers play an important role in liquid-crystal display (LCD) application as a beam-shaping device, a brightness homogenizer, a light-scattering device, and an imaging screen. The transmittance and diffusing angle of the diffusers are the critical aspects for the applications to the LCD. The holographic diffusers by use of various processing methods have been investigated. The diffusing characteristics of different diffusing materials and processing methods have been evaluated and compared. The micro-structures of holographic diffusers have been investigated by use of using scanning electron microscopy. The holographic diffusers by use of the silver halide sensitized gelatin (SHSG) method have the structural merits for the improvement of the quality of diffusers. The features of holographic diffuser were exceptional in terms of transmittance and diffusing angle. The replication method by use of the SHSG process can be directly used for the manufacturing of diffusers for the display application.

Development of X-ray laser media. Measurement of gain and development of cavity resonators for wavelengths near 130 angstroms, volume 3

NASA Astrophysics Data System (ADS)

Forsyth, J. M.

1983-02-01

In this document the authors summarize our investigation of the reflecting properties of X-ray multilayers. The breadth of this investigation indicates the utility of the difference equation formalism in the analysis of such structure. The formalism is particularly useful in analyzing multilayers whose structure is not a simple periodic bilayer. The complexity in structure can be either intentional, as in multilayers made by in-situ reflectance monitoring, or it can be a consequence of a degradation mechanism, such as random thickness errors or interlayer diffusion. Both the analysis of thickness errors and the analysis of interlayer diffusion are conceptually simple, effectively one dimensional problems that are straightforwared to pose. In the authors analysis of in-situ reflectance monitoring, they provide a quantitative understanding of an experimentally successful process that has not previously been treated theoretically. As X-ray multilayers come into wider use, there will undoubtedly be an increasing need for a more precise understanding of their reflecting properties. Thus, it is expected that in the future more detailed modeling will be undertaken of less easily specified structures than those above. The authors believe that their formalism will continue to prove useful in the modeling of these more complex structures. One such structure that may be of interest is that of a multilayer degraded by interfacial roughness.

Single-image diffusion coefficient measurements of proteins in free solution.

PubMed

Zareh, Shannon Kian; DeSantis, Michael C; Kessler, Jonathan M; Li, Je-Luen; Wang, Y M

2012-04-04

Diffusion coefficient measurements are important for many biological and material investigations, such as studies of particle dynamics and kinetics, and size determinations. Among current measurement methods, single particle tracking (SPT) offers the unique ability to simultaneously obtain location and diffusion information about a molecule while using only femtomoles of sample. However, the temporal resolution of SPT is limited to seconds for single-color-labeled samples. By directly imaging three-dimensional diffusing fluorescent proteins and studying the widths of their intensity profiles, we were able to determine the proteins' diffusion coefficients using single protein images of submillisecond exposure times. This simple method improves the temporal resolution of diffusion coefficient measurements to submilliseconds, and can be readily applied to a range of particle sizes in SPT investigations and applications in which diffusion coefficient measurements are needed, such as reaction kinetics and particle size determinations. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Microstructure evolution, thermal stability and fractal behavior of water vapor flow assisted in situ growth poly(vinylcarbazole)-titania quantum dots nanocomposites

NASA Astrophysics Data System (ADS)

Mombrú, Dominique; Romero, Mariano; Faccio, Ricardo; Mombrú, Alvaro W.

2017-12-01

Here, we report a novel strategy for the preparation of TiO2 quantum dots fillers prepared from alkoxide precursor via in situ water vapor flow diffusion into poly(N-vinylcarbazole) host. A detailed characterization by means of infrared and Raman spectroscopy, X-ray powder diffraction, small angle X-ray scattering and differential scanning calorimetry is reported. The growth mechanism of both crystallites and particles was mostly governed by the classical coarsening reaction limited growth and the polymer host showed no detectable chemical modifications at the interface or active participation in the growing process. The main relevance of our strategy respect to the typical sol-gel growth in solution is the possibility of the interruption of the reaction by simple stopping the water vapor flow diffusion into the polymer host thus achieving good control in the nanoparticles size. The thermal stability and fractal behavior of our nanocomposites were also studied by differential scanning calorimetry and in situ small angle X-ray scattering versus temperature. Strong correlations between modifications in the fractal behavior and glass transition or fusion processes were observed for these nanocomposites.

Ionic channels: natural nanotubes described by the drift diffusion equations

NASA Astrophysics Data System (ADS)

Eisenberg, Bob

2000-05-01

Ionic channels are a large class of proteins with holes down their middle that control a wide range of cellular functions important in health and disease. Ionic channels can be analysed using a combination of the Poisson and drift diffusion equations familiar from computational electronics because their behavior is dominated by the electrical properties of their simple structure.

Comments on ""Contact Diffusion Interaction of Materials with Cladding''

NASA Technical Reports Server (NTRS)

Morris, J. F.

1972-01-01

A Russian paper by A. A. Babad-Zakhryapina contributes much to the understanding of fuel, clad interactions, and thus to nuclear thermionic technology. In that publication the basic diffusion expression is a simple one. A more general but complicated equation for this mass transport results from the present work. With appropriate assumptions, however, the new relation reduces to Babad-Zakhryapina's version.

A Simple Classroom Simulation of Heat Energy Diffusing through a Metal Bar

ERIC Educational Resources Information Center

Kinsler, Mark; Kinzel, Evelyn

2007-01-01

We present an iterative procedure that does not rely on calculus to model heat flow through a uniform bar of metal and thus avoids the use of the partial differential equation typically needed to describe heat diffusion. The procedure is based on first principles and can be done with students at the blackboard. It results in a plot that…

White matter correlates of cognitive domains in normal aging with diffusion tensor imaging.

PubMed

Sasson, Efrat; Doniger, Glen M; Pasternak, Ofer; Tarrasch, Ricardo; Assaf, Yaniv

2013-01-01

The ability to perform complex as well as simple cognitive tasks engages a network of brain regions that is mediated by the white matter fiber bundles connecting them. Different cognitive tasks employ distinctive white matter fiber bundles. The temporal lobe and its projections subserve a variety of key functions known to deteriorate during aging. In a cohort of 52 healthy subjects (ages 25-82 years), we performed voxel-wise regression analysis correlating performance in higher-order cognitive domains (executive function, information processing speed, and memory) with white matter integrity, as measured by diffusion tensor imaging (DTI) fiber tracking in the temporal lobe projections [uncinate fasciculus (UF), fornix, cingulum, inferior longitudinal fasciculus (ILF), and superior longitudinal fasciculus (SLF)]. The fiber tracts were spatially registered and statistical parametric maps were produced to spatially localize the significant correlations. Results showed that performance in the executive function domain is correlated with DTI parameters in the left SLF and right UF; performance in the information processing speed domain is correlated with fractional anisotropy (FA) in the left cingulum, left fornix, right and left ILF and SLF; and the memory domain shows significant correlations with DTI parameters in the right fornix, right cingulum, left ILF, left SLF and right UF. These findings suggest that DTI tractography enables anatomical definition of region of interest (ROI) for correlation of behavioral parameters with diffusion indices, and functionality can be correlated with white matter integrity.

Identifying mechanisms for superdiffusive dynamics in cell trajectories

NASA Astrophysics Data System (ADS)

Passucci, Giuseppe; Brasch, Megan; Henderson, James; Manning, M. Lisa

Self-propelled particle (SPP) models have been used to explore features of active matter such as motility-induced phase separation, jamming, and flocking, and are often used to model biological cells. However, many cells exhibit super-diffusive trajectories, where displacements scale faster than t 1 / 2 in all directions, and these are not captured by traditional SPP models. We extract cell trajectories from image stacks of mouse fibroblast cells moving on 2D substrates and find super-diffusive mean-squared displacements in all directions across varying densities. Two SPP model modifications have been proposed to capture super-diffusive dynamics: Levy walks and heterogeneous motility parameters. In mouse fibroblast cells displacement probability distributions collapse when time is rescaled by a power greater than 1/2, which is consistent with Levy walks. We show that a simple SPP model with heterogeneous rotational noise can also generate a similar collapse. Furthermore, a close examination of statistics extracted directly from cell trajectories is consistent with a heterogeneous mobility SPP model and inconsistent with a Levy walk model. Our work demonstrates that a simple set of analyses can distinguish between mechanisms for anomalous diffusion in active matter.

Solar energy distribution over Egypt using cloudiness from Meteosat photos

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

Mosalam Shaltout, M.A.; Hassen, A.H.

1990-01-01

In Egypt, there are 10 ground stations for measuring the global solar radiation, and five stations for measuring the diffuse solar radiation. Every day at noon, the Meteorological Authority in Cairo receives three photographs of cloudiness over Egypt from the Meteosat satellite, one in the visible, and two in the infra-red bands (10.5-12.5 {mu}m) and (5.7-7.1 {mu}m). The monthly average cloudiness for 24 sites over Egypt are measured and calculated from Meteosat observations during the period 1985-1986. Correlation analysis between the cloudiness observed by Meteosat and global solar radiation measured from the ground stations is carried out. It is foundmore » that, the correlation coefficients are about 0.90 for the simple linear regression, and increase for the second and third degree regressions. Also, the correlation coefficients for the cloudiness with the diffuse solar radiation are about 0.80 for the simple linear regression, and increase for the second and third degree regression. Models and empirical relations for estimating the global and diffuse solar radiation from Meteosat cloudiness data over Egypt are deduced and tested. Seasonal maps for the global and diffuse radiation over Egypt are carried out.« less

ADHD performance reflects inefficient but not impulsive information processing: a diffusion model analysis.

PubMed

Metin, Baris; Roeyers, Herbert; Wiersema, Jan R; van der Meere, Jaap J; Thompson, Margaret; Sonuga-Barke, Edmund

2013-03-01

Attention-deficit/hyperactivity disorder (ADHD) is associated with performance deficits across a broad range of tasks. Although individual tasks are designed to tap specific cognitive functions (e.g., memory, inhibition, planning, etc.), these deficits could also reflect general effects related to either inefficient or impulsive information processing or both. These two components cannot be isolated from each other on the basis of classical analysis in which mean reaction time (RT) and mean accuracy are handled separately. Seventy children with a diagnosis of combined type ADHD and 50 healthy controls (between 6 and 17 years) performed two tasks: a simple two-choice RT (2-CRT) task and a conflict control task (CCT) that required higher levels of executive control. RT and errors were analyzed using the Ratcliff diffusion model, which divides decisional time into separate estimates of information processing efficiency (called "drift rate") and speed-accuracy tradeoff (SATO, called "boundary"). The model also provides an estimate of general nondecisional time. Results were the same for both tasks independent of executive load. ADHD was associated with lower drift rate and less nondecisional time. The groups did not differ in terms of boundary parameter estimates. RT and accuracy performance in ADHD appears to reflect inefficient rather than impulsive information processing, an effect independent of executive function load. The results are consistent with models in which basic information processing deficits make an important contribution to the ADHD cognitive phenotype. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Real-time detection and monitoring of the drug resistance of single myeloid leukemia cells by diffused total internal reflection.

PubMed

Liang, L; Jin, Y X; Zhu, X Q; Zhou, F L; Yang, Y

2018-05-15

Real-time detection and monitoring of the drug resistance of single cells have important significance in clinical diagnosis and therapy. Traditional methods operate a number of times for each individual concentration, and innovation is required for the design of more simple and efficient manipulation platforms with necessary higher sensitivity. Here, we have developed a novel diffused total internal reflection (TIR) method to perform drug metabolism and cytotoxicity analysis of trapped myeloid leukemia cells. Molm-13 cells, a type of acute myeloid leukemia cell, were chosen and injected into the device and fittingly captured by cell traps. Differing from previous studies, a series of different concentrations of azelaic acid (AZA) drug could be used from 0 mM to 50 mM through convection and diffusion processes in a single chip, with each concentration region featuring 50 cells, with a total of 549 cell trapping units. Thanks to the high sensitivity of the TIR method, only cells with the same drug concentration could be illuminated in the detection process. By adjusting the incident angle, we could exactly detect and monitor the drug resistance of the cells using different drug concentrations and the experimental resolution of the drug concentration was as small as 5 mM. Images of the membrane integrity and morphology of the cells in the bright field were measured and we also monitored the cell viabilities in the dark field over 2 hours. The effects of AZA on the Molm-13 cells were explored in different concentrations at the single cell level. Compared with the results of the traditional MTT assay method, the experimental results are more simple and accurate. A cell death of 5% at an AZA concentration of 5 mM was observed after 30 minutes, while a concentration of 40 mM corresponded to a 98% cell death. The designed method in this study provides a novel toolkit to control and monitor drug resistance at the single cell level more easily with higher sensitivity and we believe it has significant potential application in single cell quality assessment and medicine analysis in clinical practice.

Numerical Evaluation of Lateral Diffusion Inside Diffusive Gradients in Thin Films Samplers

PubMed Central

2015-01-01

Using numerical simulation of diffusion inside diffusive gradients in thin films (DGT) samplers, we show that the effect of lateral diffusion inside the sampler on the solute flux into the sampler is a nonlinear function of the diffusion layer thickness and the physical sampling window size. In contrast, earlier work concluded that this effect was constant irrespective of parameters of the sampler geometry. The flux increase caused by lateral diffusion inside the sampler was determined to be ∼8.8% for standard samplers, which is considerably lower than the previous estimate of ∼20%. Lateral diffusion is also propagated to the diffusive boundary layer (DBL), where it leads to a slightly stronger decrease in the mass uptake than suggested by the common 1D diffusion model that is applied for evaluating DGT results. We introduce a simple correction procedure for lateral diffusion and demonstrate how the effect of lateral diffusion on diffusion in the DBL can be accounted for. These corrections often result in better estimates of the DBL thickness (δ) and the DGT-measured concentration than earlier approaches and will contribute to more accurate concentration measurements in solute monitoring in waters. PMID:25877251

Mass Dependency of Isotope Fractionation of Gases Under Thermal Gradient and Its Possible Implications for Planetary Atmosphere Escaping Process

NASA Technical Reports Server (NTRS)

Sun, Tao; Niles, Paul; Bao, Huiming; Socki, Richard

2014-01-01

Physical processes that unmix elements/isotopes of gas molecules involve phase changes, diffusion (chemical or thermal), effusion and gravitational settling. Some of those play significant roles for the evolution of chemical and isotopic compositions of gases in planetary bodies which lead to better understanding of surface paleoclimatic conditions, e.g. gas bubbles in Antarctic ice, and planetary evolution, e.g. the solar-wind erosion induced gas escaping from exosphere on terrestrial planets.. A mass dependent relationship is always expected for the kinetic isotope fractionations during these simple physical processes, according to the kinetic theory of gases by Chapman, Enskog and others [3-5]. For O-bearing (O16, -O17, -O18) molecules the alpha O-17/ alpha O-18 is expected at 0.5 to 0.515, and for S-bearing (S32,-S33. -S34, -S36) molecules, the alpha S-33/ alpha S-34 is expected at 0.5 to 0.508, where alpha is the isotope fractionation factor associated with unmixing processes. Thus, one isotope pair is generally proxied to yield all the information for the physical history of the gases. However, we recently] reported the violation of mass law for isotope fractionation among isotope pairs of multiple isotope system during gas diffusion or convection under thermal gradient (Thermal Gradient Induced Non-Mass Dependent effect, TGI-NMD). The mechanism(s) that is responsible to such striking observation remains unanswered. In our past studies, we investigated polyatomic molecules, O2 and SF6, and we suggested that nuclear spin effect could be responsible to the observed NMD effect in a way of changing diffusion coefficients of certain molecules, owing to the fact of negligible delta S-36 anomaly for SF6.. On the other hand, our results also showed that for both diffusion and convection under thermal gradient, this NMD effect is increased by lower gas pressure, bigger temperature gradient and lower average temperature, which indicate that the nuclear spin effect may not be the significant contributor as the energies involved in the hyperfine effect are much smaller than those with molecular collisions, especially under convective conditions.

Conductivity noise in transmembrane ion channels due to ion concentration fluctuations via diffusion.

PubMed

Mak, D O; Webb, W W

1997-03-01

A Green's function approach is developed from first principles to evaluate the power spectral density of conductance fluctuations caused by ion concentration fluctuations via diffusion in an electrolyte system. This is applied to simple geometric models of transmembrane ion channels to obtain an estimate of the magnitude of ion concentration fluctuation noise in the channel current. Pure polypeptide alamethicin forms stable ion channels with multiple conductance states in artificial phospholipid bilayers isolated onto tips of micropipettes with gigaohm seals. In the single-channel current recorded by voltage-clamp techniques, excess noise was found after the background instrumental noise and the intrinsic Johnson and shot noises were removed. The noise que to ion concentration fluctuations via diffusion was isolated by the dependence of the excess current noise on buffer ion concentration. The magnitude of the concentration fluctuation noise derived from experimental data lies within limits estimated using our simple geometric channel models. Variation of the noise magnitude for alamethicin channels in various conductance states agrees with theoretical prediction.

Alternation in the gap-junctional intercellular communication capacity during the maturation of osteocytes in the embryonic chick calvaria.

PubMed

Wang, Ziyi; Odagaki, Naoya; Tanaka, Tomoyo; Hashimoto, Mana; Nakamura, Masahiro; Hayano, Satoru; Ishihara, Yoshihito; Kawanabe, Noriaki; Kamioka, Hiroshi

2016-10-01

The intercellular network of cell-cell communication among osteocytes is mediated by gap junctions. Gap junctional intercellular communication (GJIC) is thought to play an important role in the integration and synchronization of bone remodeling. To further understand the mechanism of bone development it is important to quantify the difference in the GJIC capacity of young and developmentally mature osteocytes. We first established an embryonic chick calvaria growth model to show the growth of the calvaria in embryos at 13 to 21days of age. We then applied a fluorescence recovery after photobleaching (FRAP) technique to compare the difference in the GJIC capacity of young osteocytes with that of developmentally mature osteocytes. Finally, we quantified the dye (Calcein) diffusion from the FRAP data using a mathematic model of simple diffusion which was also used to identify simple diffusion GJIC pattern cells (fitted model) and accelerated diffusion GJIC pattern cells (non-fitted model). The relationship between the longest medial-lateral length of the calvaria (frontal bone) and the embryonic age fit a logarithmic growth model: length=5.144×ln(day)-11.340. The morphometric data during osteocyte differentiation showed that the cellular body becomes more spindle-shaped and that the cell body volume decreased by approximately 22% with an increase in the length of the processes between the cells. However, there were no significant differences in the cellular body surface area or in the distance between the mass centres of the cells. The dye-displacement rate in young osteocytes was significantly higher than that in developmentally mature osteocytes: dye displacement only occurred in 26.88% of the developmentally mature osteocytes, while it occurred in 64.38% of the young osteocytes. Additionally, in all recovered osteocytes, 36% of the developmentally mature osteocytes comprised non-fitted model cells while 53.19% of the young osteocytes were the non-fitted model, which indicates the active transduction of dye molecules. However, there were no statistically significant differences between the young and developmentally mature osteocytes with regard to the diffusion coefficient, permeability coefficient, or permeance of the osteocyte processes, which were 3.93±3.77 (×10(-8)cm(2)/s), 5.12±4.56 (×10(-5)cm(2)/s) and 2.99±2.47 (×10(-13)cm(2)/s) (mean±SD), respectively. These experiments comprehensively quantified the GJIC capacity in the embryonic chick calvaria and indicated that the cell-cell communication capacity of the osteocytes in the embryonic chick calvaria was related to their development. Copyright © 2016 Elsevier Inc. All rights reserved.

Adsorption of basic dyes on granular activated carbon and natural zeolite.

PubMed

Meshko, V; Markovska, L; Mincheva, M; Rodrigues, A E

2001-10-01

The adsorption of basic dyes from aqueous solution onto granular activated carbon and natural zeolite has been studied using an agitated batch adsorber. The influence of agitation, initial dye concentration and adsorbent mass has been studied. The parameters of Langmuir and Freundlich adsorption isotherms have been determined using the adsorption data. Homogeneous diffusion model (solid diffusion) combined with external mass transfer resistance is proposed for the kinetic investigation. The dependence of solid diffusion coefficient on initial concentration and mass adsorbent is represented by the simple empirical equations.

Short-Path Statistics and the Diffusion Approximation

NASA Astrophysics Data System (ADS)

Blanco, Stéphane; Fournier, Richard

2006-12-01

In the field of first return time statistics in bounded domains, short paths may be defined as those paths for which the diffusion approximation is inappropriate. This is at the origin of numerous open questions concerning the characterization of residence time distributions. We show here how general integral constraints can be derived that make it possible to address short-path statistics indirectly by application of the diffusion approximation to long paths. Application to the moments of the distribution at the low-Knudsen limit leads to simple practical results and novel physical pictures.

A generalized view of the correlation factor in solid-state diffusion

NASA Astrophysics Data System (ADS)

Akbar, Sheikh A.

1994-03-01

The correlation factor is commonly used to determine the mechanism of diffusion in solids. Although originally thought to be associated only with tracer diffusion, the concept of the correlation factor has broadened considerably over the last couple of decades. In light of these developments, it is important to generalize the concept. This article attempts to present a simple picture of an integrated view of the correlation factor in a way accessible to a wider audience. Some areas where the generalized correlation factor plays important roles are also highlighted.

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

PubMed

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

2017-04-01

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

Diffusion-based neuromodulation can eliminate catastrophic forgetting in simple neural networks

PubMed Central

Clune, Jeff

2017-01-01

A long-term goal of AI is to produce agents that can learn a diversity of skills throughout their lifetimes and continuously improve those skills via experience. A longstanding obstacle towards that goal is catastrophic forgetting, which is when learning new information erases previously learned information. Catastrophic forgetting occurs in artificial neural networks (ANNs), which have fueled most recent advances in AI. A recent paper proposed that catastrophic forgetting in ANNs can be reduced by promoting modularity, which can limit forgetting by isolating task information to specific clusters of nodes and connections (functional modules). While the prior work did show that modular ANNs suffered less from catastrophic forgetting, it was not able to produce ANNs that possessed task-specific functional modules, thereby leaving the main theory regarding modularity and forgetting untested. We introduce diffusion-based neuromodulation, which simulates the release of diffusing, neuromodulatory chemicals within an ANN that can modulate (i.e. up or down regulate) learning in a spatial region. On the simple diagnostic problem from the prior work, diffusion-based neuromodulation 1) induces task-specific learning in groups of nodes and connections (task-specific localized learning), which 2) produces functional modules for each subtask, and 3) yields higher performance by eliminating catastrophic forgetting. Overall, our results suggest that diffusion-based neuromodulation promotes task-specific localized learning and functional modularity, which can help solve the challenging, but important problem of catastrophic forgetting. PMID:29145413

High resolution human diffusion tensor imaging using 2-D navigated multi-shot SENSE EPI at 7 Tesla

PubMed Central

Jeong, Ha-Kyu; Gore, John C.; Anderson, Adam W.

2012-01-01

The combination of parallel imaging with partial Fourier acquisition has greatly improved the performance of diffusion-weighted single-shot EPI and is the preferred method for acquisitions at low to medium magnetic field strength such as 1.5 or 3 Tesla. Increased off-resonance effects and reduced transverse relaxation times at 7 Tesla, however, generate more significant artifacts than at lower magnetic field strength and limit data acquisition. Additional acceleration of k-space traversal using a multi-shot approach, which acquires a subset of k-space data after each excitation, reduces these artifacts relative to conventional single-shot acquisitions. However, corrections for motion-induced phase errors are not straightforward in accelerated, diffusion-weighted multi-shot EPI because of phase aliasing. In this study, we introduce a simple acquisition and corresponding reconstruction method for diffusion-weighted multi-shot EPI with parallel imaging suitable for use at high field. The reconstruction uses a simple modification of the standard SENSE algorithm to account for shot-to-shot phase errors; the method is called Image Reconstruction using Image-space Sampling functions (IRIS). Using this approach, reconstruction from highly aliased in vivo image data using 2-D navigator phase information is demonstrated for human diffusion-weighted imaging studies at 7 Tesla. The final reconstructed images show submillimeter in-plane resolution with no ghosts and much reduced blurring and off-resonance artifacts. PMID:22592941

Using hybrid implicit Monte Carlo diffusion to simulate gray radiation hydrodynamics

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

Cleveland, Mathew A., E-mail: cleveland7@llnl.gov; Gentile, Nick

This work describes how to couple a hybrid Implicit Monte Carlo Diffusion (HIMCD) method with a Lagrangian hydrodynamics code to evaluate the coupled radiation hydrodynamics equations. This HIMCD method dynamically applies Implicit Monte Carlo Diffusion (IMD) [1] to regions of a problem that are opaque and diffusive while applying standard Implicit Monte Carlo (IMC) [2] to regions where the diffusion approximation is invalid. We show that this method significantly improves the computational efficiency as compared to a standard IMC/Hydrodynamics solver, when optically thick diffusive material is present, while maintaining accuracy. Two test cases are used to demonstrate the accuracy andmore » performance of HIMCD as compared to IMC and IMD. The first is the Lowrie semi-analytic diffusive shock [3]. The second is a simple test case where the source radiation streams through optically thin material and heats a thick diffusive region of material causing it to rapidly expand. We found that HIMCD proves to be accurate, robust, and computationally efficient for these test problems.« less

A first-passage scheme for determination of overall rate constants for non-diffusion-limited suspensions

NASA Astrophysics Data System (ADS)

Lu, Shih-Yuan; Yen, Yi-Ming

2002-02-01

A first-passage scheme is devised to determine the overall rate constant of suspensions under the non-diffusion-limited condition. The original first-passage scheme developed for diffusion-limited processes is modified to account for the finite incorporation rate at the inclusion surface by using a concept of the nonzero survival probability of the diffusing entity at entity-inclusion encounters. This nonzero survival probability is obtained from solving a relevant boundary value problem. The new first-passage scheme is validated by an excellent agreement between overall rate constant results from the present development and from an accurate boundary collocation calculation for the three common spherical arrays [J. Chem. Phys. 109, 4985 (1998)], namely simple cubic, body-centered cubic, and face-centered cubic arrays, for a wide range of P and f. Here, P is a dimensionless quantity characterizing the relative rate of diffusion versus surface incorporation, and f is the volume fraction of the inclusion. The scheme is further applied to random spherical suspensions and to investigate the effect of inclusion coagulation on overall rate constants. It is found that randomness in inclusion arrangement tends to lower the overall rate constant for f up to the near close-packing value of the regular arrays because of the inclusion screening effect. This screening effect turns stronger for regular arrays when f is near and above the close-packing value of the regular arrays, and consequently the overall rate constant of the random array exceeds that of the regular array. Inclusion coagulation too induces the inclusion screening effect, and leads to lower overall rate constants.

Monte Carlo simulations of coupled diffusion and surface reactions during the aqueous corrosion of borosilicate glasses

DOE PAGES

Kerisit, Sebastien; Pierce, Eric M.; Ryan, Joseph V.

2014-09-19

Borosilicate nuclear waste glasses develop complex altered layers as a result of coupled processes such as hydrolysis of network species, condensation of Si species, and diffusion. However, diffusion has often been overlooked in Monte Carlo models of the aqueous corrosion of borosilicate glasses. Therefore, in this paper three different models for dissolved Si diffusion in the altered layer were implemented in a Monte Carlo model and evaluated for glasses in the compositional range (75 - x) mol% SiO 2 (12.5 + x/2) mol% B 2O 3 and (12.5 + x/2) mol% Na 2O, where 0 ≤ x ≤ 20%, andmore » corroded in static conditions at a surface-area-to-volume ratio of 1000 m -1. The three models considered instantaneous homogenization (M1), linear concentration gradients (M2), and concentration profiles determined by solving Fick's 2nd law using a finite difference method (M3). Model M3 revealed that concentration profiles in the altered layer are not linear and show changes in shape and magnitude as corrosion progresses, unlike those assumed in model M2. Furthermore, model M3 showed that, for borosilicate glasses with a high forward dissolution rate compared to the diffusion rate, the gradual polymerization and densification of the altered layer is significantly delayed compared to models M1 and M2. Finally, models M1 and M2 were found to be appropriate models only for glasses with high release rates such as simple borosilicate glasses with low ZrO 2 content.« less

A data-led comparison of simple canopy radiative transfer models for the boreal forest

NASA Astrophysics Data System (ADS)

Reid, T.; Essery, R.; Rutter, N.; King, M.

2012-12-01

Given the computational complexity of numerical weather and climate models, it is worthwhile developing very simple parameterizations for processes such as the transmission of radiation through forest canopies. For this reason, the land surface schemes in global models, and most snow hydrological models, tend to use simple one-dimensional approaches based on Beer's Law or two-stream approximations. Such approaches assume a continuous canopy structure that may not be suitable for the varied, heterogeneous forest cover in boreal regions, especially in winter when snow in the canopy and on the ground may either block radiation or produce multiple reflections between the ground and the trees. There is great benefit in comparing models to real transmissivity values calculated from radiation measurements below and above Arctic canopies. In particular, there is a lack of data for leafless boreal deciduous forests, where canopy gaps are prevalent even at low solar elevation angles near the horizon. In this study, models are compared to radiation data collected in an area of boreal birch forest near Abisko, Sweden in March/April 2011 and mixed conifer forest at Sodankylä, Finland in March/April 2012. Arrays comprising ten shortwave pyranometers were deployed for periods of up to 50 days, under forest plots of varying canopy structures and densities. In addition, global and diffuse shortwave irradiances were recorded at nearby open sites representing the top-of-canopy conditions. A model is developed that explicitly accounts for both diffuse radiation and direct beam transmission on a 5-minute timestep, by using upward-looking hemispherical photographs taken from every pyranometer site. This model reproduces measured transmissivity, although with a slight underestimation, especially at low solar elevations - this could be attributed to multiple reflections that are not accounted for in the model. On the other hand, models based on Beer's Law tend to underestimate the canopy transmissivity significantly, especially for leafless birch canopies where the required assumption of a continuous canopy breaks down. These findings are important for the often sparse, heterogeneous forest cover in boreal regions, where forest edges and canopy gaps are plentiful. They could also have an impact on estimations of overall land surface albedo. Moreover, all models are sensitive to the partitioning of top-of-canopy radiation into its direct and diffuse components, which is complicated by the low solar elevations in the Arctic. More research is required to decide the best way of quantifying the diffuse fraction, using data alongside both physical and empirical models.

Influence investigation of a void region on modeling light propagation in a heterogeneous medium.

PubMed

Yang, Defu; Chen, Xueli; Ren, Shenghan; Qu, Xiaochao; Tian, Jie; Liang, Jimin

2013-01-20

A void region exists in some biological tissues, and previous studies have shown that inaccurate images would be obtained if it were not processed. A hybrid radiosity-diffusion method (HRDM) that couples the radiosity theory and the diffusion equation has been proposed to deal with the void problem and has been well demonstrated in two-dimensional and three-dimensional (3D) simple models. However, the extent of the impact of the void region on the accuracy of modeling light propagation has not been investigated. In this paper, we first implemented and verified the HRDM in 3D models, including both the regular geometries and a digital mouse model, and then investigated the influences of the void region on modeling light propagation in a heterogeneous medium. Our investigation results show that the influence of the region can be neglected when the size of the void is less than a certain range, and other cases must be taken into account.

A CTRW-based model of time-resolved fluorescence lifetime imaging in a turbid medium

NASA Astrophysics Data System (ADS)

Chernomordik, Victor; Gandjbakhche, Amir H.; Hassan, Moinuddin; Pajevic, Sinisa; Weiss, George H.

2010-12-01

We develop an analytic model of time-resolved fluorescent imaging of photons migrating through a semi-infinite turbid medium bounded by an infinite plane in the presence of a single stationary point fluorophore embedded in the medium. In contrast to earlier models of fluorescent imaging in which photon motion is assumed to be some form of continuous diffusion process, the present analysis is based on a continuous-time random walk (CTRW) on a simple cubic lattice, the objective being to estimate the position and lifetime of the fluorophore. This can provide information related to local variations in pH and temperature with potential medical significance. Aspects of the theory were tested using time-resolved measurements of the fluorescence from small inclusions inside tissue-like phantoms. The experimental results were found to be in good agreement with theoretical predictions provided that the fluorophore was not located too close to the planar boundary, a common problem in many diffusive systems.

A direct method of extracting surface recombination velocity from an electron beam induced current line scan

NASA Astrophysics Data System (ADS)

Ong, Vincent K. S.

1998-04-01

The extraction of diffusion length and surface recombination velocity in a semiconductor with the use of an electron beam induced current line scan has traditionally been done by fitting the line scan into complicated theoretical equations. It was recently shown that a much simpler equation is sufficient for the extraction of diffusion length. The linearization coefficient is the only variable that is needed to be adjusted in the curve fitting process. However, complicated equations are still necessary for the extraction of surface recombination velocity. It is shown in this article that it is indeed possible to extract surface recombination velocity with a simple equation, using only one variable, the linearization coefficient. An intuitive feel for the reason behind the method was discussed. The accuracy of the method was verified with the use of three-dimensional computer simulation, and was found to be even slightly better than that of the best existing method.

Thin-layer voltammetry of soluble species on screen-printed electrodes: proof of concept.

PubMed

Botasini, S; Martí, A C; Méndez, E

2016-10-17

Thin-layer diffusion conditions were accomplished on screen-printed electrodes by placing a controlled-weight onto the cast solution and allowing for its natural spreading. The restricted diffusive conditions were assessed by cyclic voltammetry at low voltage scan rates and electrochemical impedance spectroscopy. The relationship between the weight exerted over the drop and the thin-layer thickness achieved was determined, in such a way that the simple experimental set-up designed for this work could be developed into a commercial device with variable control of the thin-layer conditions. The experimental results obtained resemble those reported for the voltammetric features of electroactive soluble species employing electrodes modified with carbon nanotubes or graphene layers, suggesting that the attainment of the benefits reported for these nanomaterials could be done simply by forcing the solution to spread over the screen-printed electrodic system to form a thin layer solution. The advantages of thin-layer voltammetry in the kinetic characterization of quasi-reversible and irreversible processes are highlighted.

Semiautomated spleen volumetry with diffusion-weighted MR imaging.

PubMed

Lee, Jeongjin; Kim, Kyoung Won; Lee, Ho; Lee, So Jung; Choi, Sanghyun; Jeong, Woo Kyoung; Kye, Heewon; Song, Gi-Won; Hwang, Shin; Lee, Sung-Gyu

2012-07-01

In this article, we determined the relative accuracy of semiautomated spleen volumetry with diffusion-weighted (DW) MR images compared to standard manual volumetry with DW-MR or CT images. Semiautomated spleen volumetry using simple thresholding followed by 3D and 2D connected component analysis was performed with DW-MR images. Manual spleen volumetry was performed on DW-MR and CT images. In this study, 35 potential live liver donor candidates were included. Semiautomated volumetry results were highly correlated with manual volumetry results using DW-MR (r = 0.99; P < 0.0001; mean percentage absolute difference, 1.43 ± 0.94) and CT (r = 0.99; P < 0.0001; 1.76 ± 1.07). Mean total processing time for semiautomated volumetry was significantly shorter compared to that of manual volumetry with DW-MR (P < 0.0001) and CT (P < 0.0001). In conclusion, semiautomated spleen volumetry with DW-MR images can be performed rapidly and accurately when compared with standard manual volumetry. Copyright © 2011 Wiley Periodicals, Inc.

Non-equilibrium forces drive the anomalous diffusion of telomeres in the nucleus of mammalian cells

NASA Astrophysics Data System (ADS)

Stadler, Lorenz; Weiss, Matthias

2017-11-01

Telomeres are vital nucleotide sequences at both ends of each chromosome, and their motion reports on the local dynamics of decondensed chromatin in the nucleus of interphase cells. Here, we show that the previously reported subdiffusive motion of telomeres is driven by non-equilibrium cytoskeletal forces. In particular, breaking down microtubules leads to a significantly reduced generalized diffusion coefficient of telomeres. This translates into a markedly reduced effective temperature in the stochastic forces that govern the telomeres’ random walk. Moreover, telomere motion in cells that lack microtubules is well described by the monomer dynamics of a Rouse polymer that is embeddded in a viscoelastic medium. In contrast, active cytoskeletal forces in untreated cells override the environment’s elastic contributions, resulting in the well-known scaling for conventional Rouse dynamics in viscous media. Our data highlight that even subdiffusive motion in cells in most cases may not be a simple thermal transport process but rather is driven by non-equilibrium events.

Direct Numerical Simulations of Multiphase Flows

NASA Astrophysics Data System (ADS)

Tryggvason, Gretar

2013-03-01

Many natural and industrial processes, such as rain and gas exchange between the atmosphere and oceans, boiling heat transfer, atomization and chemical reactions in bubble columns, involve multiphase flows. Often the mixture can be described as a disperse flow where one phase consists of bubbles or drops. Direct numerical simulations (DNS) of disperse flow have recently been used to study the dynamics of multiphase flows with a large number of bubbles and drops, often showing that the collective motion results in relatively simple large-scale structure. Here we review simulations of bubbly flows in vertical channels where the flow direction, as well as the bubble deformability, has profound implications on the flow structure and the total flow rate. Results obtained so far are summarized and open questions identified. The resolution for DNS of multiphase flows is usually determined by a dominant scale, such as the average bubble or drop size, but in many cases much smaller scales are also present. These scales often consist of thin films, threads, or tiny drops appearing during coalescence or breakup, or are due to the presence of additional physical processes that operate on a very different time scale than the fluid flow. The presence of these small-scale features demand excessive resolution for conventional numerical approaches. However, at small flow scales the effects of surface tension are generally strong so the interface geometry is simple and viscous forces dominate the flow and keep it simple also. These are exactly the conditions under which analytical models can be used and we will discuss efforts to combine a semi-analytical description for the small-scale processes with a fully resolved simulation of the rest of the flow. We will, in particular, present an embedded analytical description to capture the mass transfer from bubbles in liquids where the diffusion of mass is much slower than the diffusion of momentum. This results in very thin mass-boundary layers that are difficult to resolve, but the new approach allows us to simulate the mass transfer from many freely evolving bubbles and examine the effect of the interactions of the bubbles with each other and the flow. We will conclude by attempting to summarize the current status of DNS of multiphase flows. Support by NSF and DOE (CASL)

Patterned surfaces in the drying of films composed of water, polymer, and alcohol

NASA Astrophysics Data System (ADS)

Fichot, Julie; Heyd, Rodolphe; Josserand, Christophe; Chourpa, Igor; Gombart, Emilie; Tranchant, Jean-Francois; Saboungi, Marie-Louise

2012-12-01

A study of the complex drying dynamics of polymeric mixtures with optical microscopy and gravimetric measurement is presented. Droplet formation is observed, followed by a collapse that leads to the residual craters in the dried film. The process is followed in situ under well-defined temperature and hygrometric conditions to determine the origin and nature of these droplets and craters. The drying process is usually completed within 1 h. The observations are explained using a simple diffusion model based on experimental results collected from mass and optical measurements as well as Raman confocal microspectrometry. Although the specific polymeric mixtures used here are of interest to the cosmetic industry, the general conclusions reached can apply to other polymeric aqueous solutions with applications to commercial and artistic painting.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

PubMed

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Self-diffusion and microscopic dynamics in a gold-silicon liquid investigated with quasielastic neutron scattering

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

Evenson, Zach, E-mail: Zachary.Evenson@frm2.tum.de; Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt; Yang, Fan

2016-03-21

We use incoherent quasielastic neutron scattering to study the atomic dynamics of gold in a eutectic Au{sub 81}Si{sub 19} melt. Despite the glass-forming nature of this system, the gold self-diffusivity displays an Arrhenius behavior with a low activation energy characteristic of simple liquids. At high temperatures, long-range transport of gold atoms is well described by hydrodynamic theory with a simple exponential decay of the self-correlation function. On cooling towards the melting temperature, structural relaxation crosses over to a highly stretched exponential behavior. This suggests the onset of a heterogeneous dynamics, even in the equilibrium melt, and is indicative of amore » very fragile liquid.« less

Spatial interactions in a modified Daisyworld model: Heat diffusivity and greenhouse effects

NASA Astrophysics Data System (ADS)

Alberti, T.; Primavera, L.; Vecchio, A.; Lepreti, F.; Carbone, V.

2015-11-01

In this work we investigate a modified version of the Daisyworld model, originally introduced by Lovelock and Watson to describe in a simple way the interactions between an Earth-like planet, its biosphere, and the incoming solar radiation. Here a spatial dependency on latitude is included, and both a variable heat diffusivity along latitudes and a simple greenhouse effect description are introduced in the model. We show that the spatial interactions between the variables of the system can locally stabilize the coexistence of the two vegetation types. The feedback on albedo is able to generate equilibrium solutions which can efficiently self-regulate the planet climate, even for values of the solar luminosity relatively far from the current Earth conditions.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

NASA Astrophysics Data System (ADS)

Papior, Nick R.; Calogero, Gaetano; Brandbyge, Mads

2018-06-01

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C60). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

“Conjugate Channeling” Effect in Dislocation Core Diffusion: Carbon Transport in Dislocated BCC Iron

PubMed Central

Ishii, Akio; Li, Ju; Ogata, Shigenobu

2013-01-01

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction , but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. is a function of the Burgers vector b, but not , thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility. PMID:23593255

How a Nanodroplet Diffuses on Smooth Surfaces

NASA Astrophysics Data System (ADS)

Li, Chu; Huang, Jizu; Li, Zhigang

2016-11-01

In this study, we investigate how nanodroplets diffuse on smooth surfaces through molecular dynamics (MD) simulations and theoretical analyses. The simulations results show that the surface diffusion of nanodroplet is different from that of single molecules and solid nanoparticles. The dependence of nanodroplet diffusion coefficient on temperature is surface wettability dependent, which undergoes a transition from linear to nonlinear as the surface wettability is weakened due to the coupling of temperature and surface energy. We also develop a simple relation for the diffusion coefficient by using the contact angle and contact radius of the droplet. It works well for different surface wettabilities and sized nanodroplets, as confirmed by MD simulations. This work was supported by the Research Grants Council of the Hong Kong Special Administrative Region under Grant No. 615312.

Investigation of diffusion length distribution on polycrystalline silicon wafers via photoluminescence methods

PubMed Central

Lou, Shishu; Zhu, Huishi; Hu, Shaoxu; Zhao, Chunhua; Han, Peide

2015-01-01

Characterization of the diffusion length of solar cells in space has been widely studied using various methods, but few studies have focused on a fast, simple way to obtain the quantified diffusion length distribution on a silicon wafer. In this work, we present two different facile methods of doing this by fitting photoluminescence images taken in two different wavelength ranges or from different sides. These methods, which are based on measuring the ratio of two photoluminescence images, yield absolute values of the diffusion length and are less sensitive to the inhomogeneity of the incident laser beam. A theoretical simulation and experimental demonstration of this method are presented. The diffusion length distributions on a polycrystalline silicon wafer obtained by the two methods show good agreement. PMID:26364565

"Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC iron.

PubMed

Ishii, Akio; Li, Ju; Ogata, Shigenobu

2013-01-01

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility.

Electric-field noise from carbon-adatom diffusion on a Au(110) surface: First-principles calculations and experiments

NASA Astrophysics Data System (ADS)

Kim, E.; Safavi-Naini, A.; Hite, D. A.; McKay, K. S.; Pappas, D. P.; Weck, P. F.; Sadeghpour, H. R.

2017-03-01

The decoherence of trapped-ion quantum gates due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from the trap-electrode surfaces. In this work, we investigate the source of this noise by focusing on the diffusion of carbon-containing adsorbates on the surface of Au(110). We show by density functional theory, based on detailed scanning probe microscopy, how the carbon adatom diffusion on the gold surface changes the energy landscape and how the adatom dipole moment varies with the diffusive motion. A simple model for the diffusion noise, which varies quadratically with the variation of the dipole moment, predicts a noise spectrum, in accordance with the measured values.

Controllable uncertain opinion diffusion under confidence bound and unpredicted diffusion probability

NASA Astrophysics Data System (ADS)

Yan, Fuhan; Li, Zhaofeng; Jiang, Yichuan

2016-05-01

The issues of modeling and analyzing diffusion in social networks have been extensively studied in the last few decades. Recently, many studies focus on uncertain diffusion process. The uncertainty of diffusion process means that the diffusion probability is unpredicted because of some complex factors. For instance, the variety of individuals' opinions is an important factor that can cause uncertainty of diffusion probability. In detail, the difference between opinions can influence the diffusion probability, and then the evolution of opinions will cause the uncertainty of diffusion probability. It is known that controlling the diffusion process is important in the context of viral marketing and political propaganda. However, previous methods are hardly feasible to control the uncertain diffusion process of individual opinion. In this paper, we present suitable strategy to control this diffusion process based on the approximate estimation of the uncertain factors. We formulate a model in which the diffusion probability is influenced by the distance between opinions, and briefly discuss the properties of the diffusion model. Then, we present an optimization problem at the background of voting to show how to control this uncertain diffusion process. In detail, it is assumed that each individual can choose one of the two candidates or abstention based on his/her opinion. Then, we present strategy to set suitable initiators and their opinions so that the advantage of one candidate will be maximized at the end of diffusion. The results show that traditional influence maximization algorithms are not applicable to this problem, and our algorithm can achieve expected performance.

Transport in Nanoporous Materials Including MOFs: The Applicability of Fick's Laws.

PubMed

Titze, Tobias; Lauerer, Alexander; Heinke, Lars; Chmelik, Christian; Zimmermann, Nils E R; Keil, Frerich J; Ruthven, Douglas M; Kärger, Jörg

2015-11-23

Diffusion in nanoporous host-guest systems is often considered to be too complicated to comply with such "simple" relationships as Fick's first and second law of diffusion. However, it is shown herein that the microscopic techniques of diffusion measurement, notably the pulsed field gradient (PFG) technique of NMR spectroscopy and microimaging by interference microscopy (IFM) and IR microscopy (IRM), provide direct experimental evidence of the applicability of Fick's laws to such systems. This remains true in many situations, even when the detailed mechanism is complex. The limitations of the diffusion model are also discussed with reference to the extensive literature on this subject. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mesoscopic description of random walks on combs

NASA Astrophysics Data System (ADS)

Méndez, Vicenç; Iomin, Alexander; Campos, Daniel; Horsthemke, Werner

2015-12-01

Combs are a simple caricature of various types of natural branched structures, which belong to the category of loopless graphs and consist of a backbone and branches. We study continuous time random walks on combs and present a generic method to obtain their transport properties. The random walk along the branches may be biased, and we account for the effect of the branches by renormalizing the waiting time probability distribution function for the motion along the backbone. We analyze the overall diffusion properties along the backbone and find normal diffusion, anomalous diffusion, and stochastic localization (diffusion failure), respectively, depending on the characteristics of the continuous time random walk along the branches, and compare our analytical results with stochastic simulations.

Augmenting ejector endwall effects. [V/STOL aircraft

NASA Technical Reports Server (NTRS)

Porter, J. L.; Squyers, R. A.

1979-01-01

Rectangular inlet ejectors which had multiple hypermixing nozzles for their primary jets were investigated for the effects of endwall blowing on thrust augmentation performance. The ejector configurations tested had both straight wall and active boundary layer control type diffusers. Endwall flows were energized and controlled by simple blowing jets suitably located in the ejector. Both the endwall and boundary layer control diffuser blowing rates were varied to determine optimum performance. High area ratio diffusers with insufficient endwall blowing showed endwall separation and rapid degradation of thrust performance. Optimized values of diffuser boundary layer control and endwall nozzle blowing rates in an ejector augmenter were shown to achieve high levels of augmentation performance for maximum compactness.

SMALL-SCALE ANISOTROPIES OF COSMIC RAYS FROM RELATIVE DIFFUSION

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

Ahlers, Markus; Mertsch, Philipp

2015-12-10

The arrival directions of multi-TeV cosmic rays show significant anisotropies at small angular scales. It has been argued that this small-scale structure can naturally arise from cosmic ray scattering in local turbulent magnetic fields that distort a global dipole anisotropy set by diffusion. We study this effect in terms of the power spectrum of cosmic ray arrival directions and show that the strength of small-scale anisotropies is related to properties of relative diffusion. We provide a formalism for how these power spectra can be inferred from simulations and motivate a simple analytic extension of the ensemble-averaged diffusion equation that canmore » account for the effect.« less

Evolution and development of brain networks: from Caenorhabditis elegans to Homo sapiens.

PubMed

Kaiser, Marcus; Varier, Sreedevi

2011-01-01

Neural networks show a progressive increase in complexity during the time course of evolution. From diffuse nerve nets in Cnidaria to modular, hierarchical systems in macaque and humans, there is a gradual shift from simple processes involving a limited amount of tasks and modalities to complex functional and behavioral processing integrating different kinds of information from highly specialized tissue. However, studies in a range of species suggest that fundamental similarities, in spatial and topological features as well as in developmental mechanisms for network formation, are retained across evolution. 'Small-world' topology and highly connected regions (hubs) are prevalent across the evolutionary scale, ensuring efficient processing and resilience to internal (e.g. lesions) and external (e.g. environment) changes. Furthermore, in most species, even the establishment of hubs, long-range connections linking distant components, and a modular organization, relies on similar mechanisms. In conclusion, evolutionary divergence leads to greater complexity while following essential developmental constraints.

Ultrafast dynamics of low-energy electron attachment via a non-valence correlation-bound state

NASA Astrophysics Data System (ADS)

Rogers, Joshua P.; Anstöter, Cate S.; Verlet, Jan R. R.

2018-03-01

The primary electron-attachment process in electron-driven chemistry represents one of the most fundamental chemical transformations with wide-ranging importance in science and technology. However, the mechanistic detail of the seemingly simple reaction of an electron and a neutral molecule to form an anion remains poorly understood, particularly at very low electron energies. Here, time-resolved photoelectron imaging was used to probe the electron-attachment process to a non-polar molecule using time-resolved methods. An initially populated diffuse non-valence state of the anion that is bound by correlation forces evolves coherently in ∼30 fs into a valence state of the anion. The extreme efficiency with which the correlation-bound state serves as a doorway state for low-energy electron attachment explains a number of electron-driven processes, such as anion formation in the interstellar medium and electron attachment to fullerenes.

Gaussian memory in kinematic matrix theory for self-propellers.

PubMed

Nourhani, Amir; Crespi, Vincent H; Lammert, Paul E

2014-12-01

We extend the kinematic matrix ("kinematrix") formalism [Phys. Rev. E 89, 062304 (2014)], which via simple matrix algebra accesses ensemble properties of self-propellers influenced by uncorrelated noise, to treat Gaussian correlated noises. This extension brings into reach many real-world biological and biomimetic self-propellers for which inertia is significant. Applying the formalism, we analyze in detail ensemble behaviors of a 2D self-propeller with velocity fluctuations and orientation evolution driven by an Ornstein-Uhlenbeck process. On the basis of exact results, a variety of dynamical regimes determined by the inertial, speed-fluctuation, orientational diffusion, and emergent disorientation time scales are delineated and discussed.

Information retrieval from holographic interferograms: Fundamentals and problems

NASA Technical Reports Server (NTRS)

Vest, Charles M.

1987-01-01

Holographic interferograms can contain large amounts of information about flow and temperature fields. Their information content can be very high because they can be viewed from many different directions. This multidirectionality, and fringe localization add to the information contained in the fringe pattern if diffuse illumination is used. Additional information, and increased accuracy can be obtained through the use of dual reference wave holography to add reference fringes or to effect discrete phase shift or hetrodyne interferometry. Automated analysis of fringes is possible if interferograms are of simple structure and good quality. However, in practice a large number of practical problems can arise, so that a difficult image processing task results.

Mathematical Modeling the Geometric Regularity in Proteus Mirabilis Colonies

NASA Astrophysics Data System (ADS)

Zhang, Bin; Jiang, Yi; Minsu Kim Collaboration

Proteus Mirabilis colony exhibits striking spatiotemporal regularity, with concentric ring patterns with alternative high and low bacteria density in space, and periodicity for repetition process of growth and swarm in time. We present a simple mathematical model to explain the spatiotemporal regularity of P. Mirabilis colonies. We study a one-dimensional system. Using a reaction-diffusion model with thresholds in cell density and nutrient concentration, we recreated periodic growth and spread patterns, suggesting that the nutrient constraint and cell density regulation might be sufficient to explain the spatiotemporal periodicity in P. Mirabilis colonies. We further verify this result using a cell based model.

Generalized fractional diffusion equations for subdiffusion in arbitrarily growing domains

NASA Astrophysics Data System (ADS)

Angstmann, C. N.; Henry, B. I.; McGann, A. V.

2017-10-01

The ubiquity of subdiffusive transport in physical and biological systems has led to intensive efforts to provide robust theoretical models for this phenomena. These models often involve fractional derivatives. The important physical extension of this work to processes occurring in growing materials has proven highly nontrivial. Here we derive evolution equations for modeling subdiffusive transport in a growing medium. The derivation is based on a continuous-time random walk. The concise formulation of these evolution equations requires the introduction of a new, comoving, fractional derivative. The implementation of the evolution equation is illustrated with a simple model of subdiffusing proteins in a growing membrane.

Predicting diffusion paths and interface motion in gamma/gamma + beta, Ni-Cr-Al diffusion couples

NASA Technical Reports Server (NTRS)

Nesbitt, J. A.; Heckel, R. W.

1987-01-01

A simplified model has been developed to predict Beta recession and diffusion paths in ternary gamma/gamma + beta diffusion couples (gamma:fcc, beta: NiAl structure). The model was tested by predicting beta recession and diffusion paths for four gamma/gamma + beta, Ni-Cr-Al couples annealed for 100 hours at 1200 C. The model predicted beta recession within 20 percent of that measured for each of the couples. The model also predicted shifts in the concentration of the gamma phase at the gamma/gamma + beta interface within 2 at. pct Al and 6 at. pct Cr of that measured in each of the couples. A qualitative explanation based on simple kinetic and mass balance arguments has been given which demonstrates the necessity for diffusion in the two-phase region of certain gamma/gamma + beta, Ni-Cr-Al couples.

Diffusion of a Concentrated Lattice Gas in a Regular Comb Structure

NASA Astrophysics Data System (ADS)

Garcia, Paul; Wentworth, Christopher

2008-10-01

Understanding diffusion in constrained geometries is of interest in a variety of contexts as varied as mass transport in disordered solids, such as a percolation cluster, or intercellular transport of water molecules in biological tissue. In this investigation we explore diffusion in a very simple constrained geometry: a comb-like structure involving a one-dimensional backbone of lattice sites with regularly spaced teeth of fixed length. The model considered assumes a fixed concentration of diffusing particles can hop to nearest-neighbor sites only, and they do not interact with each other except that double occupancy is not allowed. The system is simulated using a Monte Carlo simulation procedure. The mean-square displacement of a tagged particle is calculated from the simulation as a function of time. The simulation shows normal diffusive behavior after a period of anomalous diffusion that increases as the tooth size increases.

Coiled to diffuse: Brownian motion of a helical bacterium.

PubMed

Butenko, Alexander V; Mogilko, Emma; Amitai, Lee; Pokroy, Boaz; Sloutskin, Eli

2012-09-11

We employ real-time three-dimensional confocal microscopy to follow the Brownian motion of a fixed helically shaped Leptospira interrogans (LI) bacterium. We extract from our measurements the translational and the rotational diffusion coefficients of this bacterium. A simple theoretical model is suggested, perfectly reproducing the experimental diffusion coefficients, with no tunable parameters. An older theoretical model, where edge effects are neglected, dramatically underestimates the observed rates of translation. Interestingly, the coiling of LI increases its rotational diffusion coefficient by a factor of 5, compared to a (hypothetical) rectified bacterium of the same contour length. Moreover, the translational diffusion coefficients would have decreased by a factor of ~1.5, if LI were rectified. This suggests that the spiral shape of the spirochaete bacteria, in addition to being employed for their active twisting motion, may also increase the ability of these bacteria to explore the surrounding fluid by passive Brownian diffusion.

Structural Measurements from Images of Noble Gas Diffusion

NASA Astrophysics Data System (ADS)

Cadman, Robert V.; Kadlecek, Stephen J.; Emami, Kiarash; MacDuffie Woodburn, John; Vahdat, Vahid; Ishii, Masaru; Rizi, Rahim R.

2009-03-01

Magnetic resonance imaging of externally polarized noble gases such as ^3He has been used for pulmonary imaging for more than a decade. Because gas diffusion is impeded by the alveoli, the diffusion coefficient of gas in the lung, measured on a time scale of milliseconds, is reduced compared to that of the same gas mixture in the absence of restrictions. When the alveolar walls decay, as in emphysema, diffusivity in the lung increases. In this paper, the relationship between diffusion measurements and the size of the restricting structures will be discussed. The simple case of diffusion in an impermeable cylinder, a structure similar to the upper respiratory airways in mammals, has been studied. A procedure will be presented by which airways of order 2 mm in diameter may be accurately measured; demonstration experiments with plastic tubes will also be presented. The additional developments needed before this technique becomes practical will be briefly discussed.

Simulations of Xe and U diffusion in UO2

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

Andersson, Anders D.; Vyas, Shyam; Tonks, Michael R.

2012-09-10

Diffusion of xenon (Xe) and uranium (U) in UO{sub 2} is controlled by vacancy mechanisms and under irradiation the formation of mobile vacancy clusters is important. Based on the vacancy and cluster diffusion mechanisms established from density functional theory (DFT) calculations, we derive continuum thermodynamic and diffusion models for Xe and U in UO{sub 2}. In order to capture the effects of irradiation, vacancies (Va) are explicitly coupled to the Xe and U dynamics. Segregation of defects to grain boundaries in UO{sub 2} is described by combining the bulk diffusion model with models of the interaction between Xe atoms andmore » vacancies with grain boundaries, which were derived from atomistic calculations. The diffusion and segregation models were implemented in the MOOSE-Bison-Marmot (MBM) finite element (FEM) framework and the Xe/U redistribution was simulated for a few simple microstructures.« less

Nature of self-diffusion in two-dimensional fluids

NASA Astrophysics Data System (ADS)

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; Kidera, Akinori; Lee, Eok Kyun

2017-12-01

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. We numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(t\\sqrt{{ln}t}), however with a rescaled time.

Quantitative Characterization of the Microstructure and Transport Properties of Biopolymer Networks

PubMed Central

Jiao, Yang; Torquato, Salvatore

2012-01-01

Biopolymer networks are of fundamental importance to many biological processes in normal and tumorous tissues. In this paper, we employ the panoply of theoretical and simulation techniques developed for characterizing heterogeneous materials to quantify the microstructure and effective diffusive transport properties (diffusion coefficient De and mean survival time τ) of collagen type I networks at various collagen concentrations. In particular, we compute the pore-size probability density function P(δ) for the networks and present a variety of analytical estimates of the effective diffusion coefficient De for finite-sized diffusing particles, including the low-density approximation, the Ogston approximation, and the Torquato approximation. The Hashin-Strikman upper bound on the effective diffusion coefficient De and the pore-size lower bound on the mean survival time τ are used as benchmarks to test our analytical approximations and numerical results. Moreover, we generalize the efficient first-passage-time techniques for Brownian-motion simulations in suspensions of spheres to the case of fiber networks and compute the associated effective diffusion coefficient De as well as the mean survival time τ, which is related to nuclear magnetic resonance (NMR) relaxation times. Our numerical results for De are in excellent agreement with analytical results for simple network microstructures, such as periodic arrays of parallel cylinders. Specifically, the Torquato approximation provides the most accurate estimates of De for all collagen concentrations among all of the analytical approximations we consider. We formulate a universal curve for τ for the networks at different collagen concentrations, extending the work of Yeong and Torquato [J. Chem. Phys. 106, 8814 (1997)]. We apply rigorous cross-property relations to estimate the effective bulk modulus of collagen networks from a knowledge of the effective diffusion coefficient computed here. The use of cross-property relations to link other physical properties to the transport properties of collagen networks is also discussed. PMID:22683739

On the Maxwell-Stefan approach to diffusion: a general resolution in the transient regime for one-dimensional systems.

PubMed

Leonardi, Erminia; Angeli, Celestino

2010-01-14

The diffusion process in a multicomponent system can be formulated in a general form by the generalized Maxwell-Stefan equations. This formulation is able to describe the diffusion process in different systems, such as, for instance, bulk diffusion (in the gas, liquid, and solid phase) and diffusion in microporous materials (membranes, zeolites, nanotubes, etc.). The Maxwell-Stefan equations can be solved analytically (only in special cases) or by numerical approaches. Different numerical strategies have been previously presented, but the number of diffusing species is normally restricted, with only few exceptions, to three in bulk diffusion and to two in microporous systems, unless simplifications of the Maxwell-Stefan equations are considered. In the literature, a large effort has been devoted to the derivation of the analytic expression of the elements of the Fick-like diffusion matrix and therefore to the symbolic inversion of a square matrix with dimensions n x n (n being the number of independent components). This step, which can be easily performed for n = 2 and remains reasonable for n = 3, becomes rapidly very complex in problems with a large number of components. This paper addresses the problem of the numerical resolution of the Maxwell-Stefan equations in the transient regime for a one-dimensional system with a generic number of components, avoiding the definition of the analytic expression of the elements of the Fick-like diffusion matrix. To this aim, two approaches have been implemented in a computational code; the first is the simple finite difference second-order accurate in time Crank-Nicolson scheme for which the full mathematical derivation and the relevant final equations are reported. The second is based on the more accurate backward differentiation formulas, BDF, or Gear's method (Shampine, L. F. ; Gear, C. W. SIAM Rev. 1979, 21, 1.), as implemented in the Livermore solver for ordinary differential equations, LSODE (Hindmarsh, A. C. Serial Fortran Solvers for ODE Initial Value Problems, Technical Report; https://computation.llnl.gov/casc/odepack/odepack_ home.html (2006).). Both methods have been applied to a series of specific problems, such as bulk diffusion of acetone and methanol through stagnant air, uptake of two components on a microporous material in a model system, and permeation across a microporous membrane in model systems, both with the aim to validate the method and to add new information to the comprehension of the peculiar behavior of these systems. The approach is validated by comparison with different published results and with analytic expressions for the steady-state concentration profiles or fluxes in particular systems. The possibility to treat a generic number of components (the limitation being essentially the computational power) is also tested, and results are reported on the permeation of a five component mixture through a membrane in a model system. It is worth noticing that the algorithm here reported can be applied also to the Fick formulation of the diffusion problem with concentration-dependent diffusion coefficients.

Evidence of complex contagion of information in social media: An experiment using Twitter bots.

PubMed

Mønsted, Bjarke; Sapieżyński, Piotr; Ferrara, Emilio; Lehmann, Sune

2017-01-01

It has recently become possible to study the dynamics of information diffusion in techno-social systems at scale, due to the emergence of online platforms, such as Twitter, with millions of users. One question that systematically recurs is whether information spreads according to simple or complex dynamics: does each exposure to a piece of information have an independent probability of a user adopting it (simple contagion), or does this probability depend instead on the number of sources of exposure, increasing above some threshold (complex contagion)? Most studies to date are observational and, therefore, unable to disentangle the effects of confounding factors such as social reinforcement, homophily, limited attention, or network community structure. Here we describe a novel controlled experiment that we performed on Twitter using 'social bots' deployed to carry out coordinated attempts at spreading information. We propose two Bayesian statistical models describing simple and complex contagion dynamics, and test the competing hypotheses. We provide experimental evidence that the complex contagion model describes the observed information diffusion behavior more accurately than simple contagion. Future applications of our results include more effective defenses against malicious propaganda campaigns on social media, improved marketing and advertisement strategies, and design of effective network intervention techniques.

Theoretical models for supercritical fluid extraction.

PubMed

Huang, Zhen; Shi, Xiao-Han; Jiang, Wei-Juan

2012-08-10

For the proper design of supercritical fluid extraction processes, it is essential to have a sound knowledge of the mass transfer mechanism of the extraction process and the appropriate mathematical representation. In this paper, the advances and applications of kinetic models for describing supercritical fluid extraction from various solid matrices have been presented. The theoretical models overviewed here include the hot ball diffusion, broken and intact cell, shrinking core and some relatively simple models. Mathematical representations of these models have been in detail interpreted as well as their assumptions, parameter identifications and application examples. Extraction process of the analyte solute from the solid matrix by means of supercritical fluid includes the dissolution of the analyte from the solid, the analyte diffusion in the matrix and its transport to the bulk supercritical fluid. Mechanisms involved in a mass transfer model are discussed in terms of external mass transfer resistance, internal mass transfer resistance, solute-solid interactions and axial dispersion. The correlations of the external mass transfer coefficient and axial dispersion coefficient with certain dimensionless numbers are also discussed. Among these models, the broken and intact cell model seems to be the most relevant mathematical model as it is able to provide realistic description of the plant material structure for better understanding the mass-transfer kinetics and thus it has been widely employed for modeling supercritical fluid extraction of natural matters. Copyright © 2012 Elsevier B.V. All rights reserved.

Visual tracing of diffusion and biodistribution for amphiphilic cationic nanoparticles using photoacoustic imaging after ex vivo intravitreal injections

PubMed Central

Xu, Xu; Xu, Zhaokang; Liu, Junyi; Zhang, Zhaoliang; Chen, Hao; Li, Xingyi; Shi, Shuai

2016-01-01

To visually trace the diffusion and biodistribution of amphiphilic cation micelles after vitreous injection, various triblock copolymers of monomethoxy poly(ethylene glycol)–poly(ε-caprolactone)–polyethylenimine were synthesized with different structures of hydrophilic and hydrophobic segments, followed by labeling with near-infrared fluorescent dye Cyanine5 or Cyanine7. The micellar size, polydispersity index, and surface charge were measured by dynamic light scattering. The diffusion was monitored using photoacoustic imaging in real time after intravitreal injections. Moreover, the labeled nanoparticle distribution in the posterior segment of the eye was imaged histologically by confocal microscopy. The results showed that the hydrophilic segment increased vitreous diffusion, while a positive charge on the particle surface hindered diffusion. In addition, the particles diffused through the retinal layers and were enriched in the retinal pigment epithelial layer. This work tried to study the diffusion rate via a simple method by using visible images, and then provided basic data for the development of intraocular drug carriers. PMID:27785015

Visual tracing of diffusion and biodistribution for amphiphilic cationic nanoparticles using photoacoustic imaging after ex vivo intravitreal injections.

PubMed

Xu, Xu; Xu, Zhaokang; Liu, Junyi; Zhang, Zhaoliang; Chen, Hao; Li, Xingyi; Shi, Shuai

To visually trace the diffusion and biodistribution of amphiphilic cation micelles after vitreous injection, various triblock copolymers of monomethoxy poly(ethylene glycol)-poly(ε-caprolactone)-polyethylenimine were synthesized with different structures of hydrophilic and hydrophobic segments, followed by labeling with near-infrared fluorescent dye Cyanine5 or Cyanine7. The micellar size, polydispersity index, and surface charge were measured by dynamic light scattering. The diffusion was monitored using photoacoustic imaging in real time after intravitreal injections. Moreover, the labeled nanoparticle distribution in the posterior segment of the eye was imaged histologically by confocal microscopy. The results showed that the hydrophilic segment increased vitreous diffusion, while a positive charge on the particle surface hindered diffusion. In addition, the particles diffused through the retinal layers and were enriched in the retinal pigment epithelial layer. This work tried to study the diffusion rate via a simple method by using visible images, and then provided basic data for the development of intraocular drug carriers.

MARMOT simulations of Xe segregation to grain boundaries in UO2

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

Andersson, Anders D.; Tonks, Michael; Casillas, Luis

2012-06-20

Diffusion of Xe and U in UO{sub 2} is controlled by vacancy mechanisms and under irradiation the formation of mobile vacancy clusters is important. We derive continuum thermodynamic and diffusion models for Xe and U in UO{sub 2} based on the vacancy and cluster diffusion mechanisms established from recent density functional theory (DFT) calculations. Segregation of defects to grain boundaries in UO{sub 2} is described by combining the diffusion model with models of the interaction between Xe atoms and vacancies with grain boundaries derived from separate atomistic calculations. The diffusion and segregation models are implemented in the MOOSE/MARMOT (MBM) finitemore » element (FEM) framework and we simulate Xe redistribution for a few simple microstructures. In this report we focus on segregation to grain boundaries. The U or vacancy diffusion model as well as the coupled diffusion of vacancies and Xe have also been implemented, but results are not included in this report.« less

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

NASA Technical Reports Server (NTRS)

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

2000-01-01

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

Alpha-Recoil Damage Annealing Effecfs on Zircon Crystallinity and He Diffusivity: Improving Damage-Diffusivity Models

NASA Astrophysics Data System (ADS)

Thurston, O. G.; Guenthner, W.; Garver, J. I.

2017-12-01

The effects of radiation damage on He diffusion in zircon has been a major research focus in thermochronology over the past decade. In the zircon-He system, alpha-recoil damage effects He diffusivity in two ways: a decrease in He diffusivity at low radiation damage levels, and an increase in He diffusivity at high radiation damage levels. The radiation damage accumulation process within zircon is well understood; however, the kinetics of annealing of alpha-recoil damage at geologic timescales as they pertain to damage-diffusivity models, and for metamict zircon (i.e. transition from crystalline to amorphous glass via damage accumulation), has not been well constrained. This study aims to develop a more complete model that describes the annealing kinetics for zircon grains with a broad range of pre-annealing, alpha-induced radiation damage. A suite of zircon grains from the Lucerne pluton, ME were chosen for this study due to their simple thermal history (monotonic cooling), notable range of effective uranium (eU, eU = [U] +0.235*[Th]) (15 - 34,239 ppm eU), and large range of radiation damage as measured by Raman shift from crystalline (>1005 cm-1) to metamict (<1000 cm-1). The zircon grains selected represent the full range of eU and radiation damage present in the pluton. The zircon grains were first mapped for overall crystallinity using Raman spectroscopy, then annealed at different time-temperature (t-T) schedules from 1 hr to 24 hrs at temperatures ranging from 700-1100 °C, followed by remapping with Raman spectroscopy to track the total Raman shift for each t-T step. The temperature window selected is at the "roll-over" point established in prior studies (Zhang et al., 2000), at which most laboratory annealing occurs. Our data show that high radiation damage zircon grains show larger Raman shifts than low radiation damage zircon grains when exposed to the same t-T step. The high damage zircon grains typically show a Raman shift of 4 cm-1 toward crystalline, while low radiation damage grains show a shift of 2 cm-1. These shifts suggest that the annealing process occurs at a faster rate in high damage zircon grains, and slower rates in more crystalline grains. That is, the initial level of radiation damage prior to annealing must be considered in damage-diffusivity models that contain thermal histories from zircon-He dates.

Molecular dynamics studies of simple membrane-water interfaces: Structure and functions in the beginnings of cellular life

NASA Technical Reports Server (NTRS)

Pohorille, Andrew; Wilson, Michael A.

1995-01-01

Molecular dynamics computer simulations of the structure and functions of a simple membrane are performed in order to examine whether membranes provide an environment capable of promoting protobiological evolution. Our model membrane is composed of glycerol 1-monooleate. It is found that the bilayer surface fluctuates in time and space, occasionally creating thinning defects in the membrane. These defects are essential for passive transport of simple ions across membranes because they reduce the Born barrier to this process by approximately 40%. Negative ions are transferred across the bilayer more readily than positive ions due to favorable interactions with the electric field at the membrane-water interface. Passive transport of neutral molecules is, in general, more complex than predicted by the solubility-diffusion model. In particular, molecules which exhibit sufficient hydrophilicity and lipophilicity concentrate near membrane surfaces and experience 'interfacial resistance' to transport. The membrane-water interface forms an environment suitable for heterogeneous catalysis. Several possible mechanisms leading to an increase of reaction rates at the interface are discussed. We conclude that vesicles have many properties that make them very good candidates for earliest protocells. Some potentially fruitful directions of experimental and theoretical research on this subject are proposed.

Free-Propagator Reweighting Integrator for Single-Particle Dynamics in Reaction-Diffusion Models of Heterogeneous Protein-Protein Interaction Systems

PubMed Central

Hummer, Gerhard

2015-01-01

We present a new algorithm for simulating reaction-diffusion equations at single-particle resolution. Our algorithm is designed to be both accurate and simple to implement, and to be applicable to large and heterogeneous systems, including those arising in systems biology applications. We combine the use of the exact Green's function for a pair of reacting particles with the approximate free-diffusion propagator for position updates to particles. Trajectory reweighting in our free-propagator reweighting (FPR) method recovers the exact association rates for a pair of interacting particles at all times. FPR simulations of many-body systems accurately reproduce the theoretically known dynamic behavior for a variety of different reaction types. FPR does not suffer from the loss of efficiency common to other path-reweighting schemes, first, because corrections apply only in the immediate vicinity of reacting particles and, second, because by construction the average weight factor equals one upon leaving this reaction zone. FPR applications include the modeling of pathways and networks of protein-driven processes where reaction rates can vary widely and thousands of proteins may participate in the formation of large assemblies. With a limited amount of bookkeeping necessary to ensure proper association rates for each reactant pair, FPR can account for changes to reaction rates or diffusion constants as a result of reaction events. Importantly, FPR can also be extended to physical descriptions of protein interactions with long-range forces, as we demonstrate here for Coulombic interactions. PMID:26005592

Transient plane source (tps) sensors for simultaneous measurements of thermal conductivity and thermal diffusivity of insulators, fluids and conductors

NASA Astrophysics Data System (ADS)

Maqsood, Asghari; Anis-ur-Rehman, M.

2013-12-01

Thermal conductivity and thermal diffusivity are two important physical properties for designing any food engineering processes1. The knowledge of thermal properties of the elements, compounds and different materials in many industrial applications is a requirement for their final functionality. Transient plane source (tps) sensors are reported2 to be useful for the simultaneous measurement of thermal conductivity, thermal diffusivity and volumetric heat capacity of insulators, conductor liquids3 and high-TC superconductors4. The tps-sensor consists of a resistive element in the shape of double spiral made of 10 micrometer thick Ni-foils covered on both sides with 25 micrometer thick Kapton. This sensor acts both as a heat source and a resistance thermometer for recording the time dependent temperature increase. From the knowledge of the temperature co-efficient of the metal spiral, the temperature increase of the sensor can be determined precisely by placing the sensor in between two surfaces of the same material under test. This temperature increase is then related to the thermal conductivity, thermal diffusivity and volumetric heat capacity by simple relations2,5. The tps-sensor has been used to measure thermal conductivities from 0.001 Wm-1K-1to 600 Wm-1K-1 and temperature ranges covered from 77K- 1000K. This talk gives the design, advantages and limitations of the tpl-sensor along with its applications to the measurementof thermal properties in a variety of materials.

Surface flux transport simulations: Effect of inflows toward active regions and random velocities on the evolution of the Sun's large-scale magnetic field

NASA Astrophysics Data System (ADS)

Martin-Belda, D.; Cameron, R. H.

2016-02-01

Aims: We aim to determine the effect of converging flows on the evolution of a bipolar magnetic region (BMR), and to investigate the role of these inflows in the generation of poloidal flux. We also discuss whether the flux dispersal due to turbulent flows can be described as a diffusion process. Methods: We developed a simple surface flux transport model based on point-like magnetic concentrations. We tracked the tilt angle, the magnetic flux and the axial dipole moment of a BMR in simulations with and without inflows and compared the results. To test the diffusion approximation, simulations of random walk dispersal of magnetic features were compared against the predictions of the diffusion treatment. Results: We confirm the validity of the diffusion approximation to describe flux dispersal on large scales. We find that the inflows enhance flux cancellation, but at the same time affect the latitudinal separation of the polarities of the bipolar region. In most cases the latitudinal separation is limited by the inflows, resulting in a reduction of the axial dipole moment of the BMR. However, when the initial tilt angle of the BMR is small, the inflows produce an increase in latitudinal separation that leads to an increase in the axial dipole moment in spite of the enhanced flux destruction. This can give rise to a tilt of the BMR even when the BMR was originally aligned parallel to the equator.

Diffused junction p(+)-n solar cells in bulk GaAs. I Fabrication and cell performance

NASA Technical Reports Server (NTRS)

Bhat, I.; Bhat, K. N.; Mathur, G.; Borrego, J. M.; Ghandhi, S. K.

1984-01-01

This paper describes the fabrication of solar cells made by a simple open tube p(+)-diffusion into bulk n-GaAs. In addition, cell performance is provided as an indicator of the quality of bulk GaAs for this application. Initial results using this technique (12.2 percent efficiency at AM1 for 0.5 sq cm cells) are promising, and indicate directions for materials improvement. It is shown that the introduction of the diffusant (zinc) with point defects significantly affects the material properties and results in an increase in current capability.

Shape-based reconstruction for transrectal diffuse optical tomography monitoring of photothermal focal therapy of prostate cancer: simulation studies

NASA Astrophysics Data System (ADS)

Weersink, Robert A.; Chaudhary, Sahil; Mayo, Kenwrick; He, Jie; Wilson, Brian C.

2017-04-01

We develop and demonstrate a simple shape-based approach for diffuse optical tomographic reconstruction of coagulative lesions generated during interstitial photothermal therapy (PTT) of the prostate. The shape-based reconstruction assumes a simple ellipsoid shape, matching the general dimensions of a cylindrical diffusing fiber used for light delivery in current clinical studies of PTT in focal prostate cancer. The specific requirement is to accurately define the border between the photothermal lesion and native tissue as the photothermal lesion grows, with an accuracy of ≤1 mm, so treatment can be terminated before there is damage to the rectal wall. To demonstrate the feasibility of the shape-based diffuse optical tomography reconstruction, simulated data were generated based on forward calculations in known geometries that include the prostate, rectum, and lesions of varying dimensions. The only source of optical contrast between the lesion and prostate was increased scattering in the lesion, as is typically observed with coagulation. With noise added to these forward calculations, lesion dimensions were reconstructed using the shape-based method. This approach for reconstruction is shown to be feasible and sufficiently accurate for lesions that are within 4 mm from the rectal wall. The method was also robust for irregularly shaped lesions.

Robust estimation of cerebral hemodynamics in neonates using multilayered diffusion model for normal and oblique incidences

NASA Astrophysics Data System (ADS)

Steinberg, Idan; Harbater, Osnat; Gannot, Israel

2014-07-01

The diffusion approximation is useful for many optical diagnostics modalities, such as near-infrared spectroscopy. However, the simple normal incidence, semi-infinite layer model may prove lacking in estimation of deep-tissue optical properties such as required for monitoring cerebral hemodynamics, especially in neonates. To answer this need, we present an analytical multilayered, oblique incidence diffusion model. Initially, the model equations are derived in vector-matrix form to facilitate fast and simple computation. Then, the spatiotemporal reflectance predicted by the model for a complex neonate head is compared with time-resolved Monte Carlo (TRMC) simulations under a wide range of physiologically feasible parameters. The high accuracy of the multilayer model is demonstrated in that the deviation from TRMC simulations is only a few percent even under the toughest conditions. We then turn to solve the inverse problem and estimate the oxygen saturation of deep brain tissues based on the temporal and spatial behaviors of the reflectance. Results indicate that temporal features of the reflectance are more sensitive to deep-layer optical parameters. The accuracy of estimation is shown to be more accurate and robust than the commonly used single-layer diffusion model. Finally, the limitations of such approaches are discussed thoroughly.

Spatial investigation of plasma emission from laminar diffusion methanol, ethanol, and n-propanol alcohol flames using LIBS method

NASA Astrophysics Data System (ADS)

Ghezelbash, Mahsa; Majd, Abdollah Eslami; Darbani, Seyyed Mohammad Reza; Mousavi, Seyyed Jabbar; Ghasemi, Ali; Tehrani, Masoud Kavosh

2017-01-01

Laser-induced breakdown spectroscopy (LIBS) technique is used to record some plasma emissions of different laminar diffusion methanol, ethanol, and n-propanol alcohol flames, to investigate the shapes, structures (i.e., reactants and products zones), kind, and quality of burning in different areas. For this purpose, molecular bands of CH, CH*, C2, CN, and CO as well as atomic and ionic lines of C, H, N, and O are identified, simultaneously. Experimental results indicate that the CN and C2 emissions have highest intensity in LIBS spectrum of n-propanol flame and the lowest in methanol. In addition, lowest content of CO pollution and better quality of burning process in n-propanol fuel flame toward ethanol and methanol are confirmed by comparison between their CO molecular band intensities. Moreover, variation of the signal intensity from these three flames with that from a known area of burner plate is compared. Our findings in this research advance the prior results in time-integrated LIBS combustion application and suggesting that LIBS can be used successfully with the CCD detector as a non-gated analytical tool, given its simple instrumentation needs, real-time capability applications of molecular detection in laminar diffusion flame samples, requirements.

Three-compartment model for contaminant accumulation by semipermeable membrane devices

USGS Publications Warehouse

Gale, Robert W.

1998-01-01

Passive sampling of dissolved hydrophobic contaminants with lipid (triolein)-containing semipermeable membrane devices (SPMDs) has been gaining acceptance for environmental monitoring. Understanding of the accumulation process has employed a simple polymer film-control model of uptake by the polymer-enclosed lipid, while aqueous film control has been only briefly discussed. A more complete three-compartment model incorporating both aqueous film (turbulent-diffusive) and polymer film (diffusive) mass transfer is developed here and is fit to data from accumulation studies conducted in constant-concentration, flow-through dilutors. This model predicts aqueous film control of the whole device for moderate to high Kow compounds, rather than polymer film control. Uptake rates for phenanthrene and 2,2‘,5,5‘-tetrachlorobiphenyl were about 4.8 and 4.2 L/day/standard SPMD, respectively. Maximum 28 day SPMD concentration factors of 30 000 are predicted for solutes with log Kow values of >5.5. Effects of varying aqueous and polymer film thicknesses and solute diffusivities in the polymer film are modeled, and overall accumulation by the whole device is predicted to remain under aqueous film control, although accumulation in the triolein may be subject to polymer film control. The predicted half-life and integrative response of SPMDs to pulsed concentration events is proportional to log KSPMD.

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

PubMed

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

2011-01-01

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

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

PubMed Central

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

2011-01-01

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

Transport of gases between the environment and alveoli – theoretical foundations

PubMed Central

Butler, James P.; Tsuda, Akira

2015-01-01

The transport of oxygen and carbon dioxide in the gas phase from the ambient environment to and from the alveolar gas/blood interface is accomplished through the tracheobronchial tree, and involves mechanisms of bulk or convective transport and diffusive net transport. The geometry of the airway tree and the fluid dynamics of these two transport processes combine in such a way that promotes a classical fractionation of ventilation into dead space and alveolar ventilation respectively. This simple picture continues to capture much of the essence of gas phase transport. On the other hand, a more detailed look at the interaction of convection and diffusion leads to significant new issues, many of which remain open questions. These are associated with parallel and serial inhomogeneities especially within the distal acinar units, velocity profiles in distal airways and terminal spaces subject to moving boundary conditions, and the serial transport of respiratory gases within the complex acinar architecture. This chapter focuses specifically on the theoretical foundations of gas transport, addressing two broad areas. The first deals with the reasons why the classical picture of alveolar and dead space ventilation is so successful; the second examines the underlying assumptions within current approximations to convective and diffusive transport, and how they interact to effect net gas exchange. PMID:23733643

Heuristic Green's function of the time dependent radiative transfer equation for a semi-infinite medium.

PubMed

Martelli, Fabrizio; Sassaroli, Angelo; Pifferi, Antonio; Torricelli, Alessandro; Spinelli, Lorenzo; Zaccanti, Giovanni

2007-12-24

The Green's function of the time dependent radiative transfer equation for the semi-infinite medium is derived for the first time by a heuristic approach based on the extrapolated boundary condition and on an almost exact solution for the infinite medium. Monte Carlo simulations performed both in the simple case of isotropic scattering and of an isotropic point-like source, and in the more realistic case of anisotropic scattering and pencil beam source, are used to validate the heuristic Green's function. Except for the very early times, the proposed solution has an excellent accuracy (> 98 % for the isotropic case, and > 97 % for the anisotropic case) significantly better than the diffusion equation. The use of this solution could be extremely useful in the biomedical optics field where it can be directly employed in conditions where the use of the diffusion equation is limited, e.g. small volume samples, high absorption and/or low scattering media, short source-receiver distances and early times. Also it represents a first step to derive tools for other geometries (e.g. slab and slab with inhomogeneities inside) of practical interest for noninvasive spectroscopy and diffuse optical imaging. Moreover the proposed solution can be useful to several research fields where the study of a transport process is fundamental.

Time of flight dependent linearity in diffuse imaging: how effective is it to evaluate the spatial resolution by measuring the edge response function?

PubMed

Ortiz-Rascón, E; Bruce, N C; Rodríguez-Rosales, A A; Garduño-Mejía, J

2016-03-01

We describe the behavior of linearity in diffuse imaging by evaluating the differences between time-resolved images produced by photons arriving at the detector at different times. Two approaches are considered: Monte Carlo simulations and experimental results. The images of two complete opaque bars embedded in a transparent or in a turbid medium with a slab geometry are analyzed; the optical properties of the turbid medium sample are close to those of breast tissue. A simple linearity test was designed involving a direct comparison between the intensity profile produced by two bars scanned at the same time and the intensity profile obtained by adding two profiles of each bar scanned one at a time. It is shown that the linearity improves substantially when short time of flight photons are used in the imaging process, but even then the nonlinear behavior prevails. As the edge response function (ERF) has been used widely for testing the spatial resolution in imaging systems, the main implication of a time dependent linearity is the weakness of the linearity assumption when evaluating the spatial resolution through the ERF in diffuse imaging systems, and the need to evaluate the spatial resolution by other methods.

Combining evidence and diffusion of innovation theory to enhance influenza immunization.

PubMed

Britto, Maria T; Pandzik, Geralyn M; Meeks, Connie S; Kotagal, Uma R

2006-08-01

Children and adolescents with chronic conditions such as asthma, diabetes, and HIV are at high risk of influenza-related morbidity, and there are recommendations to immunize these populations annually. At Cincinnati Children's Hospital Medical Center, the influenza immunization rate increased to 90.4% (5% declined) among 200 patients with cystic fibrosis (CF). Diffusion of innovation theory was used to guide the design and implementation of spread to other clinics. The main intervention strategies were: (1) engagement of interested, nurse-led teams, (2) A collaborative learning session, (3) A tool kit including literature, sample goals, reminder postcards, communication strategies, and team member roles and processes, (4) open-access scheduling and standing orders (5) A simple Web-based registry, (6) facilitated vaccine ordering, (7) recall phone calls, and (8) weekly results posting. Clinic-specific immunization rates ranged from 32.7% to 92.8%, with the highest rate reported in the CF clinic. All teams used multiple strategies; with six of the seven using four or more. Overall, 60.0% (762/1,269) of the population was immunized. Barriers included vaccine shortages, lack of time for reminder calls, and lack of physician support in one clinic. A combination of interventions, guided by evidence and diffusion of innovation theory, led to immunization rates higher than those reported in the literature.

On time-dependent diffusion coefficients arising from stochastic processes with memory

NASA Astrophysics Data System (ADS)

Carpio-Bernido, M. Victoria; Barredo, Wilson I.; Bernido, Christopher C.

2017-08-01

Time-dependent diffusion coefficients arise from anomalous diffusion encountered in many physical systems such as protein transport in cells. We compare these coefficients with those arising from analysis of stochastic processes with memory that go beyond fractional Brownian motion. Facilitated by the Hida white noise functional integral approach, diffusion propagators or probability density functions (pdf) are obtained and shown to be solutions of modified diffusion equations with time-dependent diffusion coefficients. This should be useful in the study of complex transport processes.

Development of an electrochemical process for production of nano-copper oxides: Agglomeration kinetics modeling.

PubMed

Shahcheraghi, Seyed Hadi; Schaffie, Mahin; Ranjbar, Mohammad

2018-06-01

The main objective of this study was the development of a simple, clean, and industrial applicable electrochemical process for production of high pure nano-copper oxides from mining and industrial resources (e.g., ore, spent, slag and wastewater). To conduct the proposed process, a special set up containing an electrochemical cell in an ultrasonic system (28 kHz and 160 W) was proposed. Accordingly, using this set up and applying appropriate voltage (≈ 5 V) at 25 °C, in the presence of N 2 gas, the simultaneous anode dissolution and nano-copper oxides formation (≈ 24 nm) can be occurred, rapidly (less than 45 min). Then, the effect of N 2 gas and free radicals generated by ultrasonic irradiation was studied. The results showed, in the absence of ultrasonic irradiation and N 2 , an increase of electrolyte pH from 6.42 to 10.92, a decrease of electrolyte Eh from 285 mV to -1.14 V, and formation of copper nanoparticles. While, in the presence of ultrasonic and N 2 , the CuO nanoparticles were formed due to presence of H 2 O 2 generated by interaction of free radicals. Moreover, a novel method for kinetics modeling of nanoparticles agglomeration was proposed according to distributed activation energy model and Arrhenius parameters variation. The results showed that, in the absence of ultrasonic irradiation, the nanoparticle agglomerates were firstly formed (interface controlled mechanism) and then, the diffusion of nanoparticle agglomerates was occurred (diffusion controlled mechanism). Therefore, the control of nanoparticles size and shape may be impossible without surfactant. Also, in the presence of ultrasonic irradiation, the whole of agglomeration process followed interface controlled mechanism. Therefore, using ultrasonic irradiation, the nanoparticles shape and size don't change due to prevention of agglomerates diffusion. Copyright © 2018 Elsevier B.V. All rights reserved.

Use of Analogies in the Study of Diffusion

ERIC Educational Resources Information Center

Letic, Milorad

2014-01-01

Emergent processes, such as diffusion, are considered more difficult to understand than direct processes. In physiology, most processes are presented as direct processes, so emergent processes, when encountered, are even more difficult to understand. It has been suggested that, when studying diffusion, misconceptions about random processes are the…

Interpreting high time resolution galactic cosmic ray observations in a diffusive context

NASA Astrophysics Data System (ADS)

Jordan, A.; Spence, H. E.; Blake, J. B.; Shaul, D. A.

2009-12-01

We interpret galactic cosmic ray (GCR) variations near Earth within a diffusive context. The variations occur on time-/size-scales ranging from Forbush decreases (Fds), to substructure embedded within Fds, to smaller amplitude and shorter duration variations during relatively benign interplanetary conditions. We use high time resolution GCR observations from the High Sensitivity Telescope (HIST) on Polar and from the Spectrometer for INTEGRAL (SPI) and also use solar wind plasma and magnetic field observations from ACE and/or Wind. To calculate the coefficient of diffusion, we combine these datasets with a simple convection-diffusion model for relativistic charged particles in a magnetic field. We find reasonable agreement between our and previous estimates of the coefficient. We also show whether changes in the coefficient of diffusion are sufficient to explain the above GCR variations.

Optical device for thermal diffusivity determination in liquids by reflection of a thermal wave

NASA Astrophysics Data System (ADS)

Sánchez-Pérez, C.; De León-Hernández, A.; García-Cadena, C.

2017-08-01

In this work, we present a device for determination of the thermal diffusivity using the oblique reflection of a thermal wave within a solid slab that is in contact with the medium to be characterized. By using the reflection near a critical angle under the assumption that thermal waves obey Snell's law of refraction with the square root of the thermal diffusivities, the unknown thermal diffusivity is obtained by simple formulae. Experimentally, the sensor response is measured using the photothermal beam deflection technique within a slab that results in a compact device with no contact of the laser probing beam with the sample. We describe the theoretical basis and provide experimental results to validate the proposed method. We determine the thermal diffusivity of tridistilled water and glycerin solutions with an error of less than 0.5%.

New diffuser/applicator for use in the treatment of esophageal cancer by photodynamic therapy

NASA Astrophysics Data System (ADS)

Hudson, Emma J.; Stringer, Mark R.; Dixon, Kate; Moghissi, Keyvan

1995-03-01

We have designed and constructed a simple, cheap and effective diffuser/applicator for intraluminal photodynamic therapy in oesophageal cancer. A cylindrical diffusing optical fiber can be easily located in the center of the oesophageal lumen with the use of a modified naso- gastric Ryles tube. This allows more uniform illumination of the luminal circumference. Measurements are presented of the light field generated by this delivery system in an optical phantom. These demonstrate that the presence of the Ryles tube imposes only a small modification on the output of the bare diffuser. The light doses received adjacent to the diffusing section are identical, within the accuracy of measurement, both with and without the tube. This ensures adequate illumination of a circumferential oesophageal tumor using a contained fiber, without adjustment of the established treatment parameters.

Natural variability of atmospheric temperatures and geomagnetic intensity over a wide range of time scales.

PubMed

Pelletier, Jon D

2002-02-19

The majority of numerical models in climatology and geomagnetism rely on deterministic finite-difference techniques and attempt to include as many empirical constraints on the many processes and boundary conditions applicable to their very complex systems. Despite their sophistication, many of these models are unable to reproduce basic aspects of climatic or geomagnetic dynamics. We show that a simple stochastic model, which treats the flux of heat energy in the atmosphere by convective instabilities with random advection and diffusive mixing, does a remarkable job at matching the observed power spectrum of historical and proxy records for atmospheric temperatures from time scales of one day to one million years (Myr). With this approach distinct changes in the power-spectral form can be associated with characteristic time scales of ocean mixing and radiative damping. Similarly, a simple model of the diffusion of magnetic intensity in Earth's core coupled with amplification and destruction of the local intensity can reproduce the observed 1/f noise behavior of Earth's geomagnetic intensity from time scales of 1 (Myr) to 100 yr. In addition, the statistics of the fluctuations in the polarity reversal rate from time scales of 1 Myr to 100 Myr are consistent with the hypothesis that reversals are the result of variations in 1/f noise geomagnetic intensity above a certain threshold, suggesting that reversals may be associated with internal fluctuations rather than changes in mantle thermal or magnetic boundary conditions.

Natural variability of atmospheric temperatures and geomagnetic intensity over a wide range of time scales

PubMed Central

Pelletier, Jon D.

2002-01-01

The majority of numerical models in climatology and geomagnetism rely on deterministic finite-difference techniques and attempt to include as many empirical constraints on the many processes and boundary conditions applicable to their very complex systems. Despite their sophistication, many of these models are unable to reproduce basic aspects of climatic or geomagnetic dynamics. We show that a simple stochastic model, which treats the flux of heat energy in the atmosphere by convective instabilities with random advection and diffusive mixing, does a remarkable job at matching the observed power spectrum of historical and proxy records for atmospheric temperatures from time scales of one day to one million years (Myr). With this approach distinct changes in the power-spectral form can be associated with characteristic time scales of ocean mixing and radiative damping. Similarly, a simple model of the diffusion of magnetic intensity in Earth's core coupled with amplification and destruction of the local intensity can reproduce the observed 1/f noise behavior of Earth's geomagnetic intensity from time scales of 1 (Myr) to 100 yr. In addition, the statistics of the fluctuations in the polarity reversal rate from time scales of 1 Myr to 100 Myr are consistent with the hypothesis that reversals are the result of variations in 1/f noise geomagnetic intensity above a certain threshold, suggesting that reversals may be associated with internal fluctuations rather than changes in mantle thermal or magnetic boundary conditions. PMID:11875208

Membrane Diffusion Occurs by Continuous-Time Random Walk Sustained by Vesicular Trafficking.

PubMed

Goiko, Maria; de Bruyn, John R; Heit, Bryan

2018-06-19

Diffusion in cellular membranes is regulated by processes that occur over a range of spatial and temporal scales. These processes include membrane fluidity, interprotein and interlipid interactions, interactions with membrane microdomains, interactions with the underlying cytoskeleton, and cellular processes that result in net membrane movement. The complex, non-Brownian diffusion that results from these processes has been difficult to characterize, and moreover, the impact of factors such as membrane recycling on membrane diffusion remains largely unexplored. We have used a careful statistical analysis of single-particle tracking data of the single-pass plasma membrane protein CD93 to show that the diffusion of this protein is well described by a continuous-time random walk in parallel with an aging process mediated by membrane corrals. The overall result is an evolution in the diffusion of CD93: proteins initially diffuse freely on the cell surface but over time become increasingly trapped within diffusion-limiting membrane corrals. Stable populations of freely diffusing and corralled CD93 are maintained by an endocytic/exocytic process in which corralled CD93 is selectively endocytosed, whereas freely diffusing CD93 is replenished by exocytosis of newly synthesized and recycled CD93. This trafficking not only maintained CD93 diffusivity but also maintained the heterogeneous distribution of CD93 in the plasma membrane. These results provide insight into the nature of the biological and biophysical processes that can lead to significantly non-Brownian diffusion of membrane proteins and demonstrate that ongoing membrane recycling is critical to maintaining steady-state diffusion and distribution of proteins in the plasma membrane. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Simple diffusion can support the pitchfork, the flip bifurcations, and the chaos

NASA Astrophysics Data System (ADS)

Meng, Lili; Li, Xinfu; Zhang, Guang

2017-12-01

In this paper, a discrete rational fration population model with the Dirichlet boundary conditions will be considered. According to the discrete maximum principle and the sub- and supper-solution method, the necessary and sufficient conditions of uniqueness and existence of positive steady state solutions will be obtained. In addition, the dynamical behavior of a special two patch metapopulation model is investigated by using the bifurcation method, the center manifold theory, the bifurcation diagrams and the largest Lyapunov exponent. The results show that there exist the pitchfork, the flip bifurcations, and the chaos. Clearly, these phenomena are caused by the simple diffusion. The theoretical analysis of chaos is very imortant, unfortunately, there is not any results in this hand. However, some open problems are given.

Synthesis of size controllable cu-phthalocyanine nanofibers by simple solvent diffusion method and their electrochemical properties.

PubMed

Gao, Junshan; Cheng, Chuanwei; Zhou, Xuechao; Li, Yingying; Xu, Xiaoqi; Du, Xiguang; Zhang, Haiqian

2010-02-15

Tetra (2-isopropyl-5-methylphenoxy) substituted Cu-phthalocyanine nanofibers were obtained in large scale by a simple solvent diffusion method. The sizes of the fibers can be finely tuned under different solvent temperature. FE-SEM micrographs indicate that the length of the fibers changed from several hundreds micrometers to several hundreds nanometers and the width changed from several micrometers to several decade nanometers. XRD measurement showed a highly long-range ordered lamellar arrangement of the substituted Cu-phthalocyanine molecules in the microfiber and the UV-vis absorption spectrum of the fibers indicated an H-aggregate of the phthalocyanine molecules. The CV curves elucidate the CuPc fibers can be fabricated Faraday pseudocapacitor. Crown Copyright 2009. Published by Elsevier Inc. All rights reserved.

A flower-like nickel oxide nanostructure: synthesis and application for choline sensing.

PubMed

Sattarahmady, N; Heli, H; Dehdari Vais, R

2014-02-01

Flower-like nickel oxide nanostructure was synthesized by a simple desolvation method. The nanostructure was then employed as the modifier of a carbon paste electrode to fabricate a choline sensor. The mechanism and kinetics of the electrocatalytic oxidation of choline on the modified electrode surface were studied by cyclic voltammetry, steady-state polarization curve, and chronoamperometry. The catalytic rate constant and the charge transfer coefficient of the choline electrooxidation process by an active nickel species, and the diffusion coefficient of choline were reported. An amperometric method was developed for determination of choline with a sensitivity of 60.5 mA mol(-1)Lcm(-2) and a limit of detection of 25.4 μmol L(-1). The sensor had the advantages of high electrocatalytic activity and sensitivity, and long-term stability toward choline, with a simple fabrication method without complications of immobilization steps and using any enzyme or reagent. © 2013 Published by Elsevier B.V.

Simple models of the hydrofracture process

NASA Astrophysics Data System (ADS)

Marder, M.; Chen, Chih-Hung; Patzek, T.

2015-12-01

Hydrofracturing to recover natural gas and oil relies on the creation of a fracture network with pressurized water. We analyze the creation of the network in two ways. First, we assemble a collection of analytical estimates for pressure-driven crack motion in simple geometries, including crack speed as a function of length, energy dissipated by fluid viscosity and used to break rock, and the conditions under which a second crack will initiate while a first is running. We develop a pseudo-three-dimensional numerical model that couples fluid motion with solid mechanics and can generate branching crack structures not specified in advance. One of our main conclusions is that the typical spacing between fractures must be on the order of a meter, and this conclusion arises in two separate ways. First, it arises from analysis of gas production rates, given the diffusion constants for gas in the rock. Second, it arises from the number of fractures that should be generated given the scale of the affected region and the amounts of water pumped into the rock.

Ion implantation enhanced metal-Si-metal photodetectors

NASA Astrophysics Data System (ADS)

Sharma, A. K.; Scott, K. A. M.; Brueck, S. R. J.; Zolper, J. C.; Myers, D. R.

1994-05-01

The quantum efficiency and frequency response of simple Ni-Si-Ni metal-semiconductor-metal (MSM) photodetectors at long wavelengths are significantly enhanced with a simple, ion-implantation step to create a highly absorbing region approx. 1 micron below the Si surface. The internal quantum efficiency is improved by a factor of approx. 3 at 860 nm (to 64%) and a full factor of ten at 1.06 microns (to 23%) as compared with otherwise identical unimplanted devices. Dark currents are only slightly affected by the implantation process and are as low as 630 pA for a 4.5-micron gap device at 10-V bias. Dramatic improvement in the impulse response is observed, 100 ps vs. 600 ps, also at 10-V bias and 4.5-micron gap, due to the elimination of carrier diffusion tails in the implanted devices. Due to its planar structure, this device is fully VLSI compatible. Potential applications include optical interconnections for local area networks and multi-chip modules.

Causal electric charge diffusion and balance functions in relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Kapusta, Joseph I.; Plumberg, Christopher

2018-01-01

We study the propagation and diffusion of electric charge fluctuations in high-energy heavy-ion collisions using the Cattaneo form for the dissipative part of the electric current. As opposed to the ordinary diffusion equation this form limits the speed at which charge can propagate. Including the noise term in the current, which arises uniquely from the fluctuation-dissipation theorem, we calculate the balance functions for charged hadrons in a simple 1+1-dimensional Bjorken hydrodynamical model. Limiting the speed of propagation of charge fluctuations increases the height and reduces the width of these balance functions when plotted versus rapidity. We also estimate the numerical value of the associated diffusion time constant from anti-de Sitter-space/conformal-field theory.

Tissue differentiation by diffuse reflectance spectroscopy for automated oral and maxillofacial laser surgery: ex vivo pilot study

NASA Astrophysics Data System (ADS)

Zam, Azhar; Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Nkenke, Emeka; Schmidt, Michael; Douplik, Alexandre

2010-02-01

Remote laser surgery lacks of haptic feedback during the laser ablation of tissue. Hence, there is a risk of iatrogenic damage or destruction of anatomical structures like nerves or salivary glands. Diffuse reflectance spectroscopy provides a straightforward and simple approach for optical tissue differentiation. We measured diffuse reflectance from seven various tissue types ex vivo. We applied Linear Discriminant Analysis (LDA) to differentiate the seven tissue types and computed the area under the ROC curve (AUC). Special emphasis was taken on the identification of nerves and salivary glands as the most crucial tissue for maxillofacial surgery. The results show a promise for differentiating tissues as guidance for oral and maxillofacial laser surgery by means of diffuse reflectance.

Probing the type of anomalous diffusion with single-particle tracking.

PubMed

Ernst, Dominique; Köhler, Jürgen; Weiss, Matthias

2014-05-07

Many reactions in complex fluids, e.g. signaling cascades in the cytoplasm of living cells, are governed by a diffusion-driven encounter of reactants. Yet, diffusion in complex fluids often exhibits an anomalous characteristic ('subdiffusion'). Since different types of subdiffusion have distinct effects on timing and equilibria of chemical reactions, a thorough determination of the reactants' type of random walk is key to a quantitative understanding of reactions in complex fluids. Here we introduce a straightforward and simple approach for determining the type of subdiffusion from single-particle tracking data. Unlike previous approaches, our method also is sensitive to transient subdiffusion phenomena, e.g. obstructed diffusion below the percolation threshold. We validate our strategy with data from experiment and simulation.

Analysis of protein and lipid dynamics using confocal fluorescence recovery after photobleaching (FRAP)

PubMed Central

Day, Charles A.; Kraft, Lewis J.; Kang, Minchul; Kenworthy, Anne K.

2012-01-01

Fluorescence recovery after photobleaching (FRAP) is a powerful, versatile and widely accessible tool to monitor molecular dynamics in living cells that can be performed using modern confocal microscopes. Although the basic principles of FRAP are simple, quantitative FRAP analysis requires careful experimental design, data collection and analysis. In this review we discuss the theoretical basis for confocal FRAP, followed by step-by-step protocols for FRAP data acquisition using a laser scanning confocal microscope for (1) measuring the diffusion of a membrane protein, (2) measuring the diffusion of a soluble protein, and (3) analysis of intracellular trafficking. Finally, data analysis procedures are discussed and an equation for determining the diffusion coefficient of a molecular species undergoing pure diffusion is presented. PMID:23042527

Solving regularly and singularly perturbed reaction-diffusion equations in three space dimensions

NASA Astrophysics Data System (ADS)

Moore, Peter K.

2007-06-01

In [P.K. Moore, Effects of basis selection and h-refinement on error estimator reliability and solution efficiency for higher-order methods in three space dimensions, Int. J. Numer. Anal. Mod. 3 (2006) 21-51] a fixed, high-order h-refinement finite element algorithm, Href, was introduced for solving reaction-diffusion equations in three space dimensions. In this paper Href is coupled with continuation creating an automatic method for solving regularly and singularly perturbed reaction-diffusion equations. The simple quasilinear Newton solver of Moore, (2006) is replaced by the nonlinear solver NITSOL [M. Pernice, H.F. Walker, NITSOL: a Newton iterative solver for nonlinear systems, SIAM J. Sci. Comput. 19 (1998) 302-318]. Good initial guesses for the nonlinear solver are obtained using continuation in the small parameter ɛ. Two strategies allow adaptive selection of ɛ. The first depends on the rate of convergence of the nonlinear solver and the second implements backtracking in ɛ. Finally a simple method is used to select the initial ɛ. Several examples illustrate the effectiveness of the algorithm.

Quantitative spatiotemporal analysis of antibody fragment diffusion and endocytic consumption in tumor spheroids.

PubMed

Thurber, Greg M; Wittrup, K Dane

2008-05-01

Antibody-based cancer treatment depends upon distribution of the targeting macromolecule throughout tumor tissue, and spatial heterogeneity could significantly limit efficacy in many cases. Antibody distribution in tumor tissue is a function of drug dosage, antigen concentration, binding affinity, antigen internalization, drug extravasation from blood vessels, diffusion in the tumor extracellular matrix, and systemic clearance rates. We have isolated the effects of a subset of these variables by live-cell microscopic imaging of single-chain antibody fragments against carcinoembryonic antigen in LS174T tumor spheroids. The measured rates of scFv penetration and retention were compared with theoretical predictions based on simple scaling criteria. The theory predicts that antibody dose must be large enough to drive a sufficient diffusive flux of antibody to overcome cellular internalization, and exposure time must be long enough to allow penetration to the spheroid center. The experimental results in spheroids are quantitatively consistent with these predictions. Therefore, simple scaling criteria can be applied to accurately predict antibody and antibody fragment penetration distance in tumor tissue.

Quantitative Spatiotemporal Analysis of Antibody Fragment Diffusion and Endocytic Consumption in Tumor Spheroids

PubMed Central

Thurber, Greg M.; Wittrup, K. Dane

2010-01-01

Antibody-based cancer treatment depends upon distribution of the targeting macromolecule throughout tumor tissue, and spatial heterogeneity could significantly limit efficacy in many cases. Antibody distribution in tumor tissue is a function of drug dosage, antigen concentration, binding affinity, antigen internalization, drug extravasation from blood vessels, diffusion in the tumor extracellular matrix, and systemic clearance rates. We have isolated the effects of a subset of these variables by live-cell microscopic imaging of single-chain antibody fragments against carcinoembryonic antigen in LS174T tumor spheroids. The measured rates of scFv penetration and retention were compared with theoretical predictions based on simple scaling criteria. The theory predicts that antibody dose must be large enough to drive a sufficient diffusive flux of antibody to overcome cellular internalization, and exposure time must be long enough to allow penetration to the spheroid center. The experimental results in spheroids are quantitatively consistent with these predictions. Therefore, simple scaling criteria can be applied to accurately predict antibody and antibody fragment penetration distance in tumor tissue. PMID:18451160

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

NASA Astrophysics Data System (ADS)

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

1999-12-01

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

Coupling of Outward Radial Diffusion and Losses at the Magnetopause in the Outer Radiation Belt

NASA Astrophysics Data System (ADS)

Castillo Tibocha, A. M.; Shprits, Y.; Drozdov, A.; Kellerman, A. C.; Aseev, N.

2017-12-01

Sudden dropouts observed in relativistic electron fluxes within the radiation belts are one the most studied and yet poorly understood features of the dynamics of radiation belts. A number of physical processes contributing to these dropout events are triggered by solar wind drivers. Magnetopause losses are one of the most effective mechanisms involved here and usually occur when drifting particles reach the boundary or when inward motion of the magnetopause crosses closed particle drift shells. In both cases, particles are rapidly transported into interplanetary space generating sharp gradients in electron PSD that will promote further outward radial diffusion of particles due to adiabatic transport and the influence of outward ULF waves. Studies suggest that the coupling of these two mechanisms explains nearly all the depletion of MeV electrons observed in the outer region of the radiation belts (L*>5). In this study, we present a simple approach to model electron losses at the magnetopause and outward radial diffusion in the outer radiation belt during geomagnetic storm time. Measured upstream solar wind parameters were used to calculate the radial distance of the subsolar point as proposed by Shue et al. (1997), which was defined as the radial extent of our assumed dipole field configuration. Radial diffusion was modelled using the empirical Kp-dependent DLL [Brautigam and Albert, JGR 2000] diffusion coefficient, which is included in the 3D Versatile Electron Radiation Belt (VERB) code. Simulations of geomagnetic storms were performed in order to evaluate the effects of the integrated mechanisms and the results were compared with Van Allen probe satellite data. Our simulation results reproduce well the observed loss at the magnetopause and electron depletion in the outer radiation belt.

Patch-based anisotropic diffusion scheme for fluorescence diffuse optical tomography--part 2: image reconstruction.

PubMed

Correia, Teresa; Koch, Maximilian; Ale, Angelique; Ntziachristos, Vasilis; Arridge, Simon

2016-02-21

Fluorescence diffuse optical tomography (fDOT) provides 3D images of fluorescence distributions in biological tissue, which represent molecular and cellular processes. The image reconstruction problem is highly ill-posed and requires regularisation techniques to stabilise and find meaningful solutions. Quadratic regularisation tends to either oversmooth or generate very noisy reconstructions, depending on the regularisation strength. Edge preserving methods, such as anisotropic diffusion regularisation (AD), can preserve important features in the fluorescence image and smooth out noise. However, AD has limited ability to distinguish an edge from noise. We propose a patch-based anisotropic diffusion regularisation (PAD), where regularisation strength is determined by a weighted average according to the similarity between patches around voxels within a search window, instead of a simple local neighbourhood strategy. However, this method has higher computational complexity and, hence, we wavelet compress the patches (PAD-WT) to speed it up, while simultaneously taking advantage of the denoising properties of wavelet thresholding. Furthermore, structural information can be incorporated into the image reconstruction with PAD-WT to improve image quality and resolution. In this case, the weights used to average voxels in the image are calculated using the structural image, instead of the fluorescence image. The regularisation strength depends on both structural and fluorescence images, which guarantees that the method can preserve fluorescence information even when it is not structurally visible in the anatomical images. In part 1, we tested the method using a denoising problem. Here, we use simulated and in vivo mouse fDOT data to assess the algorithm performance. Our results show that the proposed PAD-WT method provides high quality and noise free images, superior to those obtained using AD.

Role of seagrass photosynthesis in root aerobic processes.

PubMed

Smith, R D; Dennison, W C; Alberte, R S

1984-04-01

The role of shoot photosynthesis as a means of supporting aerobic respiration in the roots of the seagrass Zostera marina was examined. O(2) was transported rapidly (10-15 minutes) from the shoots to the root-rhizome tissues upon shoot illumination. The highest rates of transport were in shoots possessing the greatest biomass and leaf area. The rates of O(2) transport do not support a simple gas phase diffusion mechanism. O(2) transport to the root-rhizome system supported aerobic root respiration and in many cases exceeded respiratory requirements leading to O(2) release from the subterranean tissue. Release of O(2) can support aerobic processes in reducing sediments typical of Z. marina habitats. Since the root-rhizome respiration is supported primarily under shoot photosynthetic conditions, then the daily period of photosynthesis determines the diurnal period of root aerobiosis.

A Simple Mathematical Model Inspired by the Purkinje Cells: From Delayed Travelling Waves to Fractional Diffusion.

PubMed

Dipierro, Serena; Valdinoci, Enrico

2018-07-01

Recently, several experiments have demonstrated the existence of fractional diffusion in the neuronal transmission occurring in the Purkinje cells, whose malfunctioning is known to be related to the lack of voluntary coordination and the appearance of tremors. Also, a classical mathematical feature is that (fractional) parabolic equations possess smoothing effects, in contrast with the case of hyperbolic equations, which typically exhibit shocks and discontinuities. In this paper, we show how a simple toy-model of a highly ramified structure, somehow inspired by that of the Purkinje cells, may produce a fractional diffusion via the superposition of travelling waves that solve a hyperbolic equation. This could suggest that the high ramification of the Purkinje cells might have provided an evolutionary advantage of "smoothing" the transmission of signals and avoiding shock propagations (at the price of slowing a bit such transmission). Although an experimental confirmation of the possibility of such evolutionary advantage goes well beyond the goals of this paper, we think that it is intriguing, as a mathematical counterpart, to consider the time fractional diffusion as arising from the superposition of delayed travelling waves in highly ramified transmission media. The case of a travelling concave parabola with sufficiently small curvature is explicitly computed. The new link that we propose between time fractional diffusion and hyperbolic equation also provides a novelty with respect to the usual paradigm relating time fractional diffusion with parabolic equations in the limit. This paper is written in such a way as to be of interest to both biologists and mathematician alike. In order to accomplish this aim, both complete explanations of the objects considered and detailed lists of references are provided.

Optical processing furnace with quartz muffle and diffuser plate

DOEpatents

Sopori, Bhushan L.

1995-01-01

An optical furnace for annealing a process wafer comprising a source of optical energy, a quartz muffle having a door to hold the wafer for processing, and a quartz diffuser plate to diffuse the light impinging on the quartz muffle; a feedback system with a light sensor located in the door or wall of the muffle is also provided for controlling the source of optical energy. The quartz for the diffuser plate is surface etched (to give the quartz diffusive qualities) in the furnace during a high intensity burn-in process.

Controllable Growth of Perovskite Films by Room-Temperature Air Exposure for Efficient Planar Heterojunction Photovoltaic Cells

DOE PAGES

Yang, Bin; Dyck, Ondrej; Poplawsky, Jonathan; ...

2015-12-01

A two-step-solution-processing approach has been established to grow void-free perovskite films for low-cost and high-performance planar heterojunction photovoltaic devices. We generally applied a high-temperature thermal annealing treatment in order to drive the diffusion of CH 3NH 3I precursor molecules into the compact PbI 2 layer to form perovskite films. But, thermal annealing for extended periods would lead to degraded device performance due to the defects generated by decomposition of perovskite into PbI 2. In this work, we explored a controllable layer-by-layer spin-coating method to grow bilayer CH 3NH 3I/PbI 2 films, and then drive the interdiffusion between PbI 2 andmore » CH 3NH 3I layers by a simple room-temperature-air-exposure for making well-oriented, highly-crystalline perovskite films without thermal annealing. This high degree of crystallinity resulted in a carrier diffusion length of ~ 800 nm and high device efficiency of 15.6%, which is comparable to the reported values from thermally-annealed perovskite films based counterparts. Finally, the simplicity and high device performance of this processing approach is highly promising for direct integration into industrial-scale device manufacture.« less

Microstructural evolution during sintering of copper particles studied by laboratory diffraction contrast tomography (LabDCT).

PubMed

McDonald, S A; Holzner, C; Lauridsen, E M; Reischig, P; Merkle, A P; Withers, P J

2017-07-12

Pressureless sintering of loose or compacted granular bodies at elevated temperature occurs by a combination of particle rearrangement, rotation, local deformation and diffusion, and grain growth. Understanding of how each of these processes contributes to the densification of a powder body is still immature. Here we report a fundamental study coupling the crystallographic imaging capability of laboratory diffraction contrast tomography (LabDCT) with conventional computed tomography (CT) in a time-lapse study. We are able to follow and differentiate these processes non-destructively and in three-dimensions during the sintering of a simple copper powder sample at 1050 °C. LabDCT quantifies particle rotation (to <0.05° accuracy) and grain growth while absorption CT simultaneously records the diffusion and deformation-related morphological changes of the sintering particles. We find that the rate of particle rotation is lowest for the more highly coordinated particles and decreases during sintering. Consequently, rotations are greater for surface breaking particles than for more highly coordinated interior ones. Both rolling (cooperative) and sliding particle rotations are observed. By tracking individual grains the grain growth/shrinkage kinetics during sintering are quantified grain by grain for the first time. Rapid, abnormal grain growth is observed for one grain while others either grow or are consumed more gradually.

Nuclemeter: A Reaction-Diffusion Column for Quantifying Nucleic Acids Undergoing Enzymatic Amplification

NASA Astrophysics Data System (ADS)

Bau, Haim; Liu, Changchun; Killawala, Chitvan; Sadik, Mohamed; Mauk, Michael

2014-11-01

Real-time amplification and quantification of specific nucleic acid sequences plays a major role in many medical and biotechnological applications. In the case of infectious diseases, quantification of the pathogen-load in patient specimens is critical to assessing disease progression, effectiveness of drug therapy, and emergence of drug-resistance. Typically, nucleic acid quantification requires sophisticated and expensive instruments, such as real-time PCR machines, which are not appropriate for on-site use and for low resource settings. We describe a simple, low-cost, reactiondiffusion based method for end-point quantification of target nucleic acids undergoing enzymatic amplification. The number of target molecules is inferred from the position of the reaction-diffusion front, analogous to reading temperature in a mercury thermometer. We model the process with the Fisher Kolmogoroff Petrovskii Piscounoff (FKPP) Equation and compare theoretical predictions with experimental observations. The proposed method is suitable for nucleic acid quantification at the point of care, compatible with multiplexing and high-throughput processing, and can function instrument-free. C.L. was supported by NIH/NIAID K25AI099160; M.S. was supported by the Pennsylvania Ben Franklin Technology Development Authority; C.K. and H.B. were funded, in part, by NIH/NIAID 1R41AI104418-01A1.

A hybrid continuous-discrete method for stochastic reaction-diffusion processes.

PubMed

Lo, Wing-Cheong; Zheng, Likun; Nie, Qing

2016-09-01

Stochastic fluctuations in reaction-diffusion processes often have substantial effect on spatial and temporal dynamics of signal transductions in complex biological systems. One popular approach for simulating these processes is to divide the system into small spatial compartments assuming that molecules react only within the same compartment and jump between adjacent compartments driven by the diffusion. While the approach is convenient in terms of its implementation, its computational cost may become prohibitive when diffusive jumps occur significantly more frequently than reactions, as in the case of rapid diffusion. Here, we present a hybrid continuous-discrete method in which diffusion is simulated using continuous approximation while reactions are based on the Gillespie algorithm. Specifically, the diffusive jumps are approximated as continuous Gaussian random vectors with time-dependent means and covariances, allowing use of a large time step, even for rapid diffusion. By considering the correlation among diffusive jumps, the approximation is accurate for the second moment of the diffusion process. In addition, a criterion is obtained for identifying the region in which such diffusion approximation is required to enable adaptive calculations for better accuracy. Applications to a linear diffusion system and two nonlinear systems of morphogens demonstrate the effectiveness and benefits of the new hybrid method.

Coupled Protein Diffusion and Folding in the Cell

PubMed Central

Guo, Minghao; Gelman, Hannah; Gruebele, Martin

2014-01-01

When a protein unfolds in the cell, its diffusion coefficient is affected by its increased hydrodynamic radius and by interactions of exposed hydrophobic residues with the cytoplasmic matrix, including chaperones. We characterize protein diffusion by photobleaching whole cells at a single point, and imaging the concentration change of fluorescent-labeled protein throughout the cell as a function of time. As a folded reference protein we use green fluorescent protein. The resulting region-dependent anomalous diffusion is well characterized by 2-D or 3-D diffusion equations coupled to a clustering algorithm that accounts for position-dependent diffusion. Then we study diffusion of a destabilized mutant of the enzyme phosphoglycerate kinase (PGK) and of its stable control inside the cell. Unlike the green fluorescent protein control's diffusion coefficient, PGK's diffusion coefficient is a non-monotonic function of temperature, signaling ‘sticking’ of the protein in the cytosol as it begins to unfold. The temperature-dependent increase and subsequent decrease of the PGK diffusion coefficient in the cytosol is greater than a simple size-scaling model suggests. Chaperone binding of the unfolding protein inside the cell is one plausible candidate for even slower diffusion of PGK, and we test the plausibility of this hypothesis experimentally, although we do not rule out other candidates. PMID:25436502

Opening the closed box: lattice diffusion in zircon?

NASA Astrophysics Data System (ADS)

Wheeler, J.; MacDonald, J.; Goodenough, K. M.; Crowley, Q.; Harley, S.; Mariani, E.

2015-12-01

In principle, any radiogenic parent or daughter element can diffuse through any crystalline lattice. Given improved analytic techniques and mathematical models, geochronology is beginning to take such diffusion into account in a quantitative fashion. Whilst lattice diffusion compromises simple interpretation of radiometric data, it can, when combined with spatially resolved data, provide more detailed insight into thermal histories. In regions that have experienced particularly high temperatures diffusion may become significant in minerals normally thought to be reliably closed. We have modelled Pb diffusion in zircon, building on earlier work on Ar diffusion in micas - the mathematics being basically the same. We are motivated by some challenging isotope data from zircon in the Lewisian Complex of NW Scotland (a TTG region with a long Archaean and Proterozoic history). For example we have grains with old rims and younger cores. Whilst other explanations are possible, we show how lattice diffusion of Pb is plausible, using experimental diffusion data together with estimates of ultra-high temperatures from the region. We have modified a previous model for Ar diffusion ("Diffarg") to include variations in parent isotope concentration, so we can understand the consequences of U zonation within zircon grains during prolonged thermal histories. This is also relevant to asking why Pb has apparently not diffused in zircon from other UHT regions - or has it?

Coupled protein diffusion and folding in the cell.

PubMed

Guo, Minghao; Gelman, Hannah; Gruebele, Martin

2014-01-01

When a protein unfolds in the cell, its diffusion coefficient is affected by its increased hydrodynamic radius and by interactions of exposed hydrophobic residues with the cytoplasmic matrix, including chaperones. We characterize protein diffusion by photobleaching whole cells at a single point, and imaging the concentration change of fluorescent-labeled protein throughout the cell as a function of time. As a folded reference protein we use green fluorescent protein. The resulting region-dependent anomalous diffusion is well characterized by 2-D or 3-D diffusion equations coupled to a clustering algorithm that accounts for position-dependent diffusion. Then we study diffusion of a destabilized mutant of the enzyme phosphoglycerate kinase (PGK) and of its stable control inside the cell. Unlike the green fluorescent protein control's diffusion coefficient, PGK's diffusion coefficient is a non-monotonic function of temperature, signaling 'sticking' of the protein in the cytosol as it begins to unfold. The temperature-dependent increase and subsequent decrease of the PGK diffusion coefficient in the cytosol is greater than a simple size-scaling model suggests. Chaperone binding of the unfolding protein inside the cell is one plausible candidate for even slower diffusion of PGK, and we test the plausibility of this hypothesis experimentally, although we do not rule out other candidates.

Point-of-care instrument for monitoring tissue health during skin graft repair

NASA Astrophysics Data System (ADS)

Gurjar, R. S.; Seetamraju, M.; Zhang, J.; Feinberg, S. E.; Wolf, D. E.

2011-06-01

We have developed the necessary theoretical framework and the basic instrumental design parameters to enable mapping of subsurface blood dynamics and tissue oxygenation for patients undergoing skin graft procedures. This analysis forms the basis for developing a simple patch geometry, which can be used to map by diffuse optical techniques blood flow velocity and tissue oxygenation as a function of depth in subsurface tissue.skin graft, diffuse correlation analysis, oxygen saturation.

1/f model for long-time memory of the ocean surface temperature

NASA Astrophysics Data System (ADS)

Fraedrich, Klaus; Luksch, Ute; Blender, Richard

2004-09-01

The 1/f spectrum of the ocean surface temperature in the Atlantic and Pacific midlatitudes is explained by a simple vertical diffusion model with a shallow mixed layer on top of a deep ocean. The model is forced at the air-sea interface with the total surface heat flux from a 1000 year climate simulation. The analysis reveals the role of ocean advection and substantiates estimates of internal thermal diffusivities.

Ambipolar diffusion drifts and dynamos in turbulent gases

NASA Technical Reports Server (NTRS)

Zweibel, Ellen G.

1988-01-01

Ambipolar drift in turbulent fluids are considered. Using mean-field electrodynamics, a two-scale theory originally used to study hydromagnetic dynamos, it is shown that magnetic fields can be advected by small-scale magnetosonic (compressional) turbulence or generated by Alfvenic (helical) turbulence. A simple dynamo theory is made and is compared with standard theories in which dissipation is caused by turbulent diffusion. The redistribution of magnetic flux in interstellar clouds is also discussed.

Hemoglobin diffusion and the dynamics of oxygen capture by red blood cells.

PubMed

Longeville, Stéphane; Stingaciu, Laura-Roxana

2017-09-05

Translational diffusion of macromolecules in cell is generally assumed to be anomalous due high macromolecular crowding of the milieu. Red blood cells are a special case of cells filled quasi exclusively (95% of the dry weight of the cell) with an almost spherical protein: hemoglobin. Hemoglobin diffusion has since a long time been recognized as facilitating the rate of oxygen diffusion through a solution. We address in this paper the question on how hemoglobin diffusion in the red blood cells can help the oxygen capture at the cell level and hence to improve oxygen transport. We report a measurement by neutron spin echo spectroscopy of the diffusion of hemoglobin in solutions with increasing protein concentration. We show that hemoglobin diffusion in solution can be described as Brownian motion up to physiological concentration and that hemoglobin diffusion in the red blood cells and in solutions at similar concentration are the same. Finally, using a simple model and the concentration dependence of the diffusion of the protein reported here, we show that hemoglobin concentration observed in human red blood cells ([Formula: see text]330 g.L -1 ) corresponds to an optimum for oxygen transport for individuals under strong activity.

Hemoglobin diffusion and the dynamics of oxygen capture by red blood cells

DOE PAGES

Longeville, Stéphane; Stingaciu, Laura-Roxana

2017-09-05

Translational diffusion of macromolecules in cell is generally assumed to be anomalous due high macromolecular crowding of the milieu. Red blood cells are a special case of cells filled quasi exclusively (95% of the dry weight of the cell) with an almost spherical protein: hemoglobin. Hemoglobin diffusion has since a long time been recognized as facilitating the rate of oxygen diffusion through a solution. We address in this paper the question on how hemoglobin diffusion in the red blood cells can help the oxygen capture at the cell level and hence to improve oxygen transport. We report a measurement bymore » neutron spin echo spectroscopy of the diffusion of hemoglobin in solutions with increasing protein concentration. We show that hemoglobin diffusion in solution can be described as Brownian motion up to physiological concentration and that hemoglobin diffusion in the red blood cells and in solutions at similar concentration are the same. Finally, using a simple model and the concentration dependence of the diffusion of the protein reported here, we show that hemoglobin concentration observed in human red blood cells (≃330 g.L -1) corresponds to an optimum for oxygen transport for individuals under strong activity.« less

Hemoglobin diffusion and the dynamics of oxygen capture by red blood cells

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

Longeville, Stéphane; Stingaciu, Laura-Roxana

Translational diffusion of macromolecules in cell is generally assumed to be anomalous due high macromolecular crowding of the milieu. Red blood cells are a special case of cells filled quasi exclusively (95% of the dry weight of the cell) with an almost spherical protein: hemoglobin. Hemoglobin diffusion has since a long time been recognized as facilitating the rate of oxygen diffusion through a solution. We address in this paper the question on how hemoglobin diffusion in the red blood cells can help the oxygen capture at the cell level and hence to improve oxygen transport. We report a measurement bymore » neutron spin echo spectroscopy of the diffusion of hemoglobin in solutions with increasing protein concentration. We show that hemoglobin diffusion in solution can be described as Brownian motion up to physiological concentration and that hemoglobin diffusion in the red blood cells and in solutions at similar concentration are the same. Finally, using a simple model and the concentration dependence of the diffusion of the protein reported here, we show that hemoglobin concentration observed in human red blood cells (≃330 g.L -1) corresponds to an optimum for oxygen transport for individuals under strong activity.« less

Thermally grown oxide and diffusions for automatic processing of integrated circuits

NASA Technical Reports Server (NTRS)

Kennedy, B. W.

1979-01-01

A totally automated facility for semiconductor oxidation and diffusion was developed using a state-of-the-art diffusion furnace and high temperature grown oxides. Major innovations include: (1) a process controller specifically for semiconductor processing; (2) an automatic loading system to accept wafers from an air track, insert them into a quartz carrier and then place the carrier on a paddle for insertion into the furnace; (3) automatic unloading of the wafers back onto the air track, and (4) boron diffusion using diborane with plus or minus 5 percent uniformity. Processes demonstrated include Wet and dry oxidation for general use and for gate oxide, boron diffusion, phosphorous diffusion, and sintering.

Electronic Noise and Fluctuations in Solids

NASA Astrophysics Data System (ADS)

Kogan, Sh.

2008-07-01

Preface; Part I. Introduction. Some Basic Concepts of the Theory of Random Processes: 1. Probability density functions. Moments. Stationary processes; 2. Correlation function; 3. Spectral density of noise; 4. Ergodicity and nonergodicity of random processes; 5. Random pulses and shot noise; 6. Markov processes. General theory; 7. Discrete Markov processes. Random telegraph noise; 8. Quasicontinuous (Diffusion-like) Markov processes; 9. Brownian motion; 10. Langevin approach to the kinetics of fluctuations; Part II. Fluctuation-Dissipation Relations in Equilibrium Systems: 11. Derivation of fluctuation-dissipation relations; 12. Equilibrium noise in quasistationary circuits. Nyquist theorem; 13. Fluctuations of electromagnetic fields in continuous media; Part III. Fluctuations in Nonequilibrium Gases: 14. Some basic concepts of hot-electrons' physics; 15. Simple model of current fluctuations in a semiconductor with hot electrons; 16. General kinetic theory of quasiclassical fluctuations in a gas of particles. The Boltzmann-Langevin equation; 17. Current fluctuations and noise temperature; 18. Current fluctuations and diffusion in a gas of hot electrons; 19. One-time correlation in nonequilibrium gases; 20. Intervalley noise in multivalley semiconductors; 21. Noise of hot electrons emitting optical phonons in the streaming regime; 22. Noise in a semiconductor with a postbreakdown stable current filament; Part IV. Generation-recombination noise: 23. G-R noise in uniform unipolar semiconductors; 24. Noise produced by recombination and diffusion; Part V. Noise in quantum ballistic systems: 25. Introduction; 26. Equilibrium noise and shot noise in quantum conductors; 27. Modulation noise in quantum point contacts; 28. Transition from a ballistic conductor to a macroscopic one; 29. Noise in tunnel junctions; Part VI. Resistance noise in metals: 30. Incoherent scattering of electrons by mobile defects; 31. Effect of mobile scattering centers on the electron interference pattern; 32. Fluctuations of the number of diffusing scattering centers; 33. Temperature fluctuations and the corresponding noise; Part VII. Noise in strongly disordered conductors: 34. Basic ideas of the percolation theory; 35. Resistance fluctuations in percolation systems. 36. Experiments; Part VIII. Low-frequency noise with an 1/f-type spectrum and random telegraph noise: 37. Introduction; 38. Some general properties of 1/f noise; 39. Basic models of 1/f noise; 40./f noise in metals; 41. Low-frequency noise in semiconductors; 42. Magnetic noise in spin glasses and some other magnetic systems; 43. Temperature fluctuations as a possible source of 1/f noise; 44. Random telegraph noise; 45. Fluctuations with 1/f spectrum in other systems; 46. General conclusions on 1/f noise; Part IX. Noise in Superconductors and Superconducting Structures: 47. Noise in Josephson junctions; 48. Noise in type II superconductors; References; Subject index.

The surface diffusion coefficient for an arbitrarily curved fluid-fluid interface. (I). General expression

NASA Astrophysics Data System (ADS)

M. C. Sagis, Leonard

2001-03-01

In this paper, we develop a theory for the calculation of the surface diffusion coefficient for an arbitrarily curved fluid-fluid interface. The theory is valid for systems in hydrodynamic equilibrium, with zero mass-averaged velocities in the bulk and interfacial regions. We restrict our attention to systems with isotropic bulk phases, and an interfacial region that is isotropic in the plane parallel to the dividing surface. The dividing surface is assumed to be a simple interface, without memory effects or yield stresses. We derive an expression for the surface diffusion coefficient in terms of two parameters of the interfacial region: the coefficient for plane-parallel diffusion D (AB)aa(ξ) , and the driving force d(B)I||(ξ) . This driving force is the parallel component of the driving force for diffusion in the interfacial region. We derive an expression for this driving force using the entropy balance.

NMR diffusion simulation based on conditional random walk.

PubMed

Gudbjartsson, H; Patz, S

1995-01-01

The authors introduce here a new, very fast, simulation method for free diffusion in a linear magnetic field gradient, which is an extension of the conventional Monte Carlo (MC) method or the convolution method described by Wong et al. (in 12th SMRM, New York, 1993, p.10). In earlier NMR-diffusion simulation methods, such as the finite difference method (FD), the Monte Carlo method, and the deterministic convolution method, the outcome of the calculations depends on the simulation time step. In the authors' method, however, the results are independent of the time step, although, in the convolution method the step size has to be adequate for spins to diffuse to adjacent grid points. By always selecting the largest possible time step the computation time can therefore be reduced. Finally the authors point out that in simple geometric configurations their simulation algorithm can be used to reduce computation time in the simulation of restricted diffusion.

Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution.

PubMed

Lu, Benzhuo; Zhou, Y C; Huber, Gary A; Bond, Stephen D; Holst, Michael J; McCammon, J Andrew

2007-10-07

A computational framework is presented for the continuum modeling of cellular biomolecular diffusion influenced by electrostatic driving forces. This framework is developed from a combination of state-of-the-art numerical methods, geometric meshing, and computer visualization tools. In particular, a hybrid of (adaptive) finite element and boundary element methods is adopted to solve the Smoluchowski equation (SE), the Poisson equation (PE), and the Poisson-Nernst-Planck equation (PNPE) in order to describe electrodiffusion processes. The finite element method is used because of its flexibility in modeling irregular geometries and complex boundary conditions. The boundary element method is used due to the convenience of treating the singularities in the source charge distribution and its accurate solution to electrostatic problems on molecular boundaries. Nonsteady-state diffusion can be studied using this framework, with the electric field computed using the densities of charged small molecules and mobile ions in the solvent. A solution for mesh generation for biomolecular systems is supplied, which is an essential component for the finite element and boundary element computations. The uncoupled Smoluchowski equation and Poisson-Boltzmann equation are considered as special cases of the PNPE in the numerical algorithm, and therefore can be solved in this framework as well. Two types of computations are reported in the results: stationary PNPE and time-dependent SE or Nernst-Planck equations solutions. A biological application of the first type is the ionic density distribution around a fragment of DNA determined by the equilibrium PNPE. The stationary PNPE with nonzero flux is also studied for a simple model system, and leads to an observation that the interference on electrostatic field of the substrate charges strongly affects the reaction rate coefficient. The second is a time-dependent diffusion process: the consumption of the neurotransmitter acetylcholine by acetylcholinesterase, determined by the SE and a single uncoupled solution of the Poisson-Boltzmann equation. The electrostatic effects, counterion compensation, spatiotemporal distribution, and diffusion-controlled reaction kinetics are analyzed and different methods are compared.

Diffusion Influenced Adsorption Kinetics.

PubMed

Miura, Toshiaki; Seki, Kazuhiko

2015-08-27

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

Nature of self-diffusion in two-dimensional fluids

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

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(more » $$t\\sqrt{In t)}$$ however with a rescaled time.« less

Spatial dilemmas of diffusible public goods

PubMed Central

Allen, Benjamin; Gore, Jeff; Nowak, Martin A

2013-01-01

The emergence of cooperation is a central question in evolutionary biology. Microorganisms often cooperate by producing a chemical resource (a public good) that benefits other cells. The sharing of public goods depends on their diffusion through space. Previous theory suggests that spatial structure can promote evolution of cooperation, but the diffusion of public goods introduces new phenomena that must be modeled explicitly. We develop an approach where colony geometry and public good diffusion are described by graphs. We find that the success of cooperation depends on a simple relation between the benefits and costs of the public good, the amount retained by a producer, and the average amount retained by each of the producer’s neighbors. These quantities are derived as analytic functions of the graph topology and diffusion rate. In general, cooperation is favored for small diffusion rates, low colony dimensionality, and small rates of decay of the public good. DOI: http://dx.doi.org/10.7554/eLife.01169.001 PMID:24347543

Nature of self-diffusion in two-dimensional fluids

DOE PAGES

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; ...

2017-12-18

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(more » $$t\\sqrt{In t)}$$ however with a rescaled time.« less

Surface diffusion of cyclic hydrocarbons on nickel

NASA Astrophysics Data System (ADS)

Silverwood, I. P.; Armstrong, J.

2018-08-01

Surface diffusion of adsorbates is difficult to measure on realistic systems, yet it is of fundamental interest in catalysis and coating reactions. quasielastic neutron scattering (QENS) was used to investigate the diffusion of cyclohexane and benzene adsorbed on a nickel metal sponge catalyst. Molecular dynamics simulations of benzene on a model (111) nickel surface showed localised motion with diffusion by intermittent jumps. The experimental data was therefore fitted to the Singwi-Sjölander model and activation energies for diffusion of 4.0 kJ mol-1 for benzene and 4.3 kJ mol-1 for cyclohexane were calculated for the two dimensional model. Limited motion out-of plane was seen in the dynamics simulations and is discussed, although the resolution of the scattering experiment is insufficient to quantify this. Good agreement is seen between the use of a perfect crystal as a model for a disordered system over short time scales, suggesting that simple models are adequate to describe diffusion over polycrystalline metal surfaces on the timescale of QENS measurement.

Simple Analytical Forms of the Perpendicular Diffusion Coefficient for Two-component Turbulence. III. Damping Model of Dynamical Turbulence

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

Gammon, M.; Shalchi, A., E-mail: andreasm4@yahoo.com

2017-10-01

In several astrophysical applications one needs analytical forms of cosmic-ray diffusion parameters. Some examples are studies of diffusive shock acceleration and solar modulation. In the current article we explore perpendicular diffusion based on the unified nonlinear transport theory. While we focused on magnetostatic turbulence in Paper I, we included the effect of dynamical turbulence in Paper II of the series. In the latter paper we assumed that the temporal correlation time does not depend on the wavenumber. More realistic models have been proposed in the past, such as the so-called damping model of dynamical turbulence. In the present paper wemore » derive analytical forms for the perpendicular diffusion coefficient of energetic particles in two-component turbulence for this type of time-dependent turbulence. We present new formulas for the perpendicular diffusion coefficient and we derive a condition for which the magnetostatic result is recovered.« less

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

Applegate, Matthew B.; Alonzo, Carlo; Georgakoudi, Irene

High resolution three-dimensional voids can be directly written into transparent silk fibroin hydrogels using ultrashort pulses of near-infrared (NIR) light. Here, we propose a simple finite-element model that can be used to predict the size and shape of individual features under various exposure conditions. We compare predicted and measured feature volumes for a wide range of parameters and use the model to determine optimum conditions for maximum material removal. The simplicity of the model implies that the mechanism of multiphoton induced void creation in silk is due to direct absorption of light energy rather than diffusion of heat or othermore » photoproducts, and confirms that multiphoton absorption of NIR light in silk is purely a 3-photon process.« less

Dynamical stochastic processes of returns in financial markets

NASA Astrophysics Data System (ADS)

Lim, Gyuchang; Kim, SooYong; Yoon, Seong-Min; Jung, Jae-Won; Kim, Kyungsik

2007-03-01

We study the evolution of probability distribution functions of returns, from the tick data of the Korean treasury bond (KTB) futures and the S&P 500 stock index, which can be described by means of the Fokker-Planck equation. We show that the Fokker-Planck equation and the Langevin equation from the estimated Kramers-Moyal coefficients can be estimated directly from the empirical data. By analyzing the statistics of the returns, we present quantitatively the deterministic and random influences on financial time series for both markets, for which we can give a simple physical interpretation. We particularly focus on the diffusion coefficient, which may be important for the creation of a portfolio.

Modelling the evolution and diversity of cumulative culture

PubMed Central

Enquist, Magnus; Ghirlanda, Stefano; Eriksson, Kimmo

2011-01-01

Previous work on mathematical models of cultural evolution has mainly focused on the diffusion of simple cultural elements. However, a characteristic feature of human cultural evolution is the seemingly limitless appearance of new and increasingly complex cultural elements. Here, we develop a general modelling framework to study such cumulative processes, in which we assume that the appearance and disappearance of cultural elements are stochastic events that depend on the current state of culture. Five scenarios are explored: evolution of independent cultural elements, stepwise modification of elements, differentiation or combination of elements and systems of cultural elements. As one application of our framework, we study the evolution of cultural diversity (in time as well as between groups). PMID:21199845

Microscopic video observation of capillary vessel systems using diffuse back lighting

NASA Astrophysics Data System (ADS)

Sakai, Minako; Arai, Hiroki; Iwai, Toshiaki

2017-04-01

We have been developing a simple and practical video microscopy system based on absorption spectra of biological substance to perform spectroscopic observation of living tissues. The diffuse backlighting effect is actively used in the developed system, which is generated by multiple light scattering in the tissue. It is demonstrated that the light specularly reflected from the skin surface can be completely suppressed in the microscopic observation and the biological activity of the capillary vessel systems distributed under the skin can be successfully observed. As a result, we can confirm the effectiveness of the video microscopy system using diffuse backlighting and the applicability of our developed system.

Diffusion Dynamics and Creative Destruction in a Simple Classical Model

PubMed Central

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