Diffusion influence on Michaelis-Menten kinetics: II. The low substrate concentration limit

International Nuclear Information System (INIS)

Kim, Hyojoon; Shin, Kook Joe

2007-01-01

The diffusion-influenced Michaelis-Menten kinetics in the low substrate concentration limit is studied in one and three dimensions. For the initial pair distribution of enzyme and substrate, we obtain the exact analytical results. We find that at short times the diffusion effect can make the reaction rate faster. The concentration deviations of the substrate and enzyme show t -1/2 and t -3/2 power-law behaviours in one and three dimensions, respectively, at long times. On the other hand, the average lifetime of the intermediate is independent of the initial state in one dimension, while it depends on the initial state in three dimensions. The ultimate production yield approaches unity in one dimension but it reaches a different value depending on other parameters in three dimensions. We also obtain the analytical results for the initial random distribution

Influence of drug concentration on the diffusion parameters of caffeine

Science.gov (United States)

Mustapha, R.Ben; Lafforgue, C.; Fenina, N.; Marty, J.P.

2011-01-01

Background and Objectives: In the fields of the pharmaceutical and cosmetic industries and in toxicology, the study of the skin penetration of molecules is very interesting. Various studies have considered the impact of different physicochemical drug characteristics, skin thickness, and formulations, on the transition from the surface of the skin to the underlying tissues or to the systemic circulation; however, the influence of drug concentration on the permeation flux of molecules has rarely been raised. Our study aims to discover the influence of caffeine concentration in a formulation on the percutaneous penetration from gels, as a result of different dose applications to polysulfate membrane and human skin. Materials and Methods: For this purpose, three identical base gels were used at 1, 3, and 5% of caffeine, to evaluate the effect of the concentration of caffeine on in vitro release through the synthetic membrane and ex vivo permeation through the human skin, using diffusion FranzTM cells. Results: The diffusion through the epidermal tissue was significantly slower than through the synthetic membrane, which recorded an increase of flux with an increase in the concentration of caffeine. The skin permeation study showed that diffusion depended not only on the concentration, but also on the deposited amount of gel. Nevertheless, for the same amount of caffeine applied, the flux was more significant from the less concentrated gel. Conclusion: Among all the different concentrations of caffeine examined, 1% gel of caffeine applied at 5 mg / cm2 showed the highest absorption characteristics across human skin. PMID:21572649

Demonstration of non-Gaussian restricted diffusion in tumor cells using diffusion-time dependent diffusion weighted MR contrast

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Tuva Roaldsdatter Hope

2016-08-01

Full Text Available The diffusion weighted imaging (DWI technique enables quantification of water mobility for probing microstructural properties of biological tissue, and has become an effective tool for collecting information about the underlying pathology of cancerous tissue. Measurements using multiple b-values have indicated a bi-exponential signal attenuation, ascribed to fast (high ADC and slow (low ADC diffusion components. In this empirical study, we investigate the properties of the diffusion time (∆ - dependent components of the diffusion-weighted (DW signal in a constant b-value experiment. A Xenograft GBM mouse was imaged using ∆ = 11 ms, 20 ms, 40 ms, 60 ms and b=500-4000 s/mm2 in intervals of 500s/mm2. Data was corrected for EPI distortions and the ∆-dependence on the DW signal was measured within three regions of interest (intermediate- and high-density tumor regions and normal appearing brain tissue regions (NAB. In this empirical study we verify the assumption that the slow decaying component of the DW-signal is non-Gaussian and dependent on ∆, consistent with restricted diffusion of the intracellular space. As the DW-signal as a function of ∆ is specific to restricted diffusion, manipulating ∆ at constant b-value (cb provides a complementary and direct approach for separating the restricted from the hindered diffusion component. Our results show that only tumor tissue signal of our data demonstrate ∆-dependence, based on a bi-exponential model with a restricted diffusion component, we successfully estimated the restricted ADC, signal volume fraction and cell size within each tumor ROI.

Simulation of diffusion in concentrated lattice gases

International Nuclear Information System (INIS)

Kehr, K.W.

1986-01-01

Recently the diffusion of particles in lattice gases was studied extensively by theoretical methods and numerical simulations. This paper reviews work on collective and, in particular, on tracer diffusion. The diffusion of tagged particles is characterized by a correlation factor whose behavior as a function of concentration is now well understood. Also the detailed kinetics of the tracer transitions was investigated. A special case is the one-dimensional lattice gas where the tracer diffusion coefficient vanishes. An interesting extension is the case of tagged atoms with a different transition rate. This model allows to study various physical situations, including impurity diffusion, percolation, and diffusion in partially blocked lattices. Finally some recent work on diffusion in lattice gases under the influence of a drift field will be reported. (author)

Concentration dependence of the Huang scattering intensity of TaHsub(x) alloys

International Nuclear Information System (INIS)

Behr, H.; Metzger, H.; Peisl, J.

1983-01-01

The analysis of the concentration dependence of the Huang diffuse scattering intensity from ThHsub(x) single crystals has been re-evaluated using two quantities recently determined from independent measurements of the Bragg diffraction intensities. Good agreement between experiment and theory has been achieved. (author)

Diffusion

International Nuclear Information System (INIS)

Kubaschewski, O.

1983-01-01

The diffusion rate values of titanium, its compounds and alloys are summarized and tabulated. The individual chemical diffusion coefficients and self-diffusion coefficients of certain isotopes are given. Experimental methods are listed which were used for the determination of diffusion coefficients. Some values have been taken over from other studies. Also given are graphs showing the temperature dependences of diffusion and changes in the diffusion coefficient with concentration changes

On the Sodium Concentration Diffusion with Three-Dimensional Extracellular Stimulation

Directory of Open Access Journals (Sweden)

Luisa Consiglieri

2011-01-01

Full Text Available We deal with the transmembrane sodium diffusion in a nerve. We study a mathematical model of a nerve fibre in response to an imposed extracellular stimulus. The presented model is constituted by a diffusion-drift vectorial equation in a bidomain, that is, two parabolic equations defined in each of the intra- and extra-regions. This system of partial differential equations can be understood as a reduced three-dimensional Poisson-Nernst-Planck model of the sodium concentration. The representation of the membrane includes a jump boundary condition describing the mechanisms involved in the excitation-contraction couple. Our first novelty comes from this general dynamical boundary condition. The second one is the three-dimensional behaviour of the extracellular stimulus. An analytical solution to the mathematical model is proposed depending on the morphology of the excitation.

Oxygen diffusion-concentration in phospholipidic model membranes. An ESR-saturation study

International Nuclear Information System (INIS)

Vachon, A.; Lecomte, C.; Berleur, F.

1986-04-01

Fully hydrated liposomes of dipalmitoyl-phosphatidylcholine were labelled with 5 (or 7, 10, 12, 16)-doxyl stearic acid at pH 6 and 8, and studied by the continuous wave ESR-saturation technique. The ESR spectral magnitude depends on the hyperfrequency power P and on both T 1 and T 2 relaxation times. Saturation, i.e. the non linearity of the spectral magnitude plotted versus √P can be quantified by a P1/2 parameter (power at which the signal is half as great as it would be without saturation). If we assume T 2 weakly modified by spin exchange between paramagnetic spin probe and oxygen in triplet state, P1/2 is inversely proportional to T 1 , and becomes a sensitive parameter to appreciate the oxygen transport (oxygen diffusion-concentration product) inside the bilayers. According to the DPPC bilayer phase transition diagrams, P1/2 (oxygen diffusion-concentration) is related to the thermodynamic state of the membrane. This technique provides further informations on a particular property of a radioprotective agent, cysteamine, which seems to inhibit spin-triplet exchange and hence maximizes T 1 (minimizes P1/2). Since radioprotective agents are known to act by scavenging radiation-induced free radicals and by inhibiting oxygen-dependent free radical processes, such a result may contribute to elucidate radioprotecting mechanisms

Glutathionylation-Dependence of Na+-K+-Pump Currents Can Mimic Reduced Subsarcolemmal Na+ Diffusion

Science.gov (United States)

Garcia, Alvaro; Liu, Chia-Chi; Cornelius, Flemming; Clarke, Ronald J.; Rasmussen, Helge H.

2016-01-01

The existence of a subsarcolemmal space with restricted diffusion for Na+ in cardiac myocytes has been inferred from a transient peak electrogenic Na+-K+ pump current beyond steady state on reexposure of myocytes to K+ after a period of exposure to K+-free extracellular solution. The transient peak current is attributed to enhanced electrogenic pumping of Na+ that accumulated in the diffusion-restricted space during pump inhibition in K+-free extracellular solution. However, there are no known physical barriers that account for such restricted Na+ diffusion, and we examined if changes of activity of the Na+-K+ pump itself cause the transient peak current. Reexposure to K+ reproduced a transient current beyond steady state in voltage-clamped ventricular myocytes as reported by others. Persistence of it when the Na+ concentration in patch pipette solutions perfusing the intracellular compartment was high and elimination of it with K+-free pipette solution could not be reconciled with restricted subsarcolemmal Na+ diffusion. The pattern of the transient current early after pump activation was dependent on transmembrane Na+- and K+ concentration gradients suggesting the currents were related to the conformational poise imposed on the pump. We examined if the currents might be accounted for by changes in glutathionylation of the β1 Na+-K+ pump subunit, a reversible oxidative modification that inhibits the pump. Susceptibility of the β1 subunit to glutathionylation depends on the conformational poise of the Na+-K+ pump, and glutathionylation with the pump stabilized in conformations equivalent to those expected to be imposed on voltage-clamped myocytes supported this hypothesis. So did elimination of the transient K+-induced peak Na+-K+ pump current when we included glutaredoxin 1 in patch pipette solutions to reverse glutathionylation. We conclude that transient K+-induced peak Na+-K+ pump current reflects the effect of conformation-dependent β1 pump subunit

Glutathionylation-Dependence of Na(+)-K(+)-Pump Currents Can Mimic Reduced Subsarcolemmal Na(+) Diffusion.

Science.gov (United States)

Garcia, Alvaro; Liu, Chia-Chi; Cornelius, Flemming; Clarke, Ronald J; Rasmussen, Helge H

2016-03-08

The existence of a subsarcolemmal space with restricted diffusion for Na(+) in cardiac myocytes has been inferred from a transient peak electrogenic Na(+)-K(+) pump current beyond steady state on reexposure of myocytes to K(+) after a period of exposure to K(+)-free extracellular solution. The transient peak current is attributed to enhanced electrogenic pumping of Na(+) that accumulated in the diffusion-restricted space during pump inhibition in K(+)-free extracellular solution. However, there are no known physical barriers that account for such restricted Na(+) diffusion, and we examined if changes of activity of the Na(+)-K(+) pump itself cause the transient peak current. Reexposure to K(+) reproduced a transient current beyond steady state in voltage-clamped ventricular myocytes as reported by others. Persistence of it when the Na(+) concentration in patch pipette solutions perfusing the intracellular compartment was high and elimination of it with K(+)-free pipette solution could not be reconciled with restricted subsarcolemmal Na(+) diffusion. The pattern of the transient current early after pump activation was dependent on transmembrane Na(+)- and K(+) concentration gradients suggesting the currents were related to the conformational poise imposed on the pump. We examined if the currents might be accounted for by changes in glutathionylation of the β1 Na(+)-K(+) pump subunit, a reversible oxidative modification that inhibits the pump. Susceptibility of the β1 subunit to glutathionylation depends on the conformational poise of the Na(+)-K(+) pump, and glutathionylation with the pump stabilized in conformations equivalent to those expected to be imposed on voltage-clamped myocytes supported this hypothesis. So did elimination of the transient K(+)-induced peak Na(+)-K(+) pump current when we included glutaredoxin 1 in patch pipette solutions to reverse glutathionylation. We conclude that transient K(+)-induced peak Na(+)-K(+) pump current reflects the effect

Dependence of O{sub 2} diffusion dynamics on pressure and temperature in silica nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Iovino, G., E-mail: giuseppe.iovino@unipa.it; Agnello, S., E-mail: simonpietro.agnello@unipa.it; Gelardi, F. M., E-mail: franco.gelardi@unipa.it [University of Palermo, Department of Physics and Chemistry (Italy)

2013-10-15

An experimental study of the molecular O{sub 2} diffusion process in high purity non-porous silica nanoparticles having 50 m{sup 2}/g BET specific surface and 20 nm average radius was carried out in the temperature range from 127 to 177 Degree-Sign C at O{sub 2} pressure in the range from 0.2 to 66 bar. The study was performed by measuring the volume average interstitial O{sub 2} concentration by a Raman and photoluminescence technique using a 1,064 nm excitation laser to detect the singlet to triplet emission at 1,272 nm of the molecular oxygen in silica. A dependence of the diffusion kinetics on the O{sub 2} absolute pressure, in addition to temperature dependence, was found. The kinetics can be fit by the solution of Fick's diffusion equation using an effective diffusion coefficient related to temperature and O{sub 2} external pressure. The fit results have evidenced that the temperature and pressure dependencies can be disentangled and that the pressure effects are more pronounced at lower temperatures. An Arrhenius temperature law is determined for the effective diffusion coefficient and the activation energy and pre-exponential factor are found in the explored experimental range. The reported findings have not been evidenced previously in the studies in bulk silica and could probably be originated by the reduced spatial extension of the considered system.

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

International Nuclear Information System (INIS)

Premuda, F.

1983-01-01

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

Similarity solutions of reaction–diffusion equation with space- and time-dependent diffusion and reaction terms

Energy Technology Data Exchange (ETDEWEB)

Ho, C.-L. [Department of Physics, Tamkang University, Tamsui 25137, Taiwan (China); Lee, C.-C., E-mail: chieh.no27@gmail.com [Center of General Education, Aletheia University, Tamsui 25103, Taiwan (China)

2016-01-15

We consider solvability of the generalized reaction–diffusion equation with both space- and time-dependent diffusion and reaction terms by means of the similarity method. By introducing the similarity variable, the reaction–diffusion equation is reduced to an ordinary differential equation. Matching the resulting ordinary differential equation with known exactly solvable equations, one can obtain corresponding exactly solvable reaction–diffusion systems. Several representative examples of exactly solvable reaction–diffusion equations are presented.

Solution of time dependent atmospheric diffusion equation with a proposed diffusion coefficient

International Nuclear Information System (INIS)

Mayhoub, A.B.; Essa, KH.S.M.; Aly, SH.

2004-01-01

One-dimensional model for the dispersion of passive atmospheric contaminant (not included chemical reactions) in the atmospheric boundary layer is considered. On the basis of the gradient transfer theory (K-theory), the time dependent diffusion equation represents the dispersion of the pollutants is solved analytically. The solution depends on diffusion coefficient K', which is expressed in terms of the friction velocity 'u the vertical coordinate -L and the depth of the mixing layer 'h'. The solution is obtained to either the vertical coordinate 'z' is less or greater than the mixing height 'h'. The obtained solution may be applied to study the atmospheric dispersion of pollutants

On time-dependent diffusion coefficients arising from stochastic processes with memory

Science.gov (United States)

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.

Matrix-dependent multigrid-homogenization for diffusion problems

Energy Technology Data Exchange (ETDEWEB)

Knapek, S. [Institut fuer Informatik tu Muenchen (Germany)

1996-12-31

We present a method to approximately determine the effective diffusion coefficient on the coarse scale level of problems with strongly varying or discontinuous diffusion coefficients. It is based on techniques used also in multigrid, like Dendy`s matrix-dependent prolongations and the construction of coarse grid operators by means of the Galerkin approximation. In numerical experiments, we compare our multigrid-homogenization method with homogenization, renormalization and averaging approaches.

Dependence of alpha radionuclide diffusion and deposition on relative air humidity

International Nuclear Information System (INIS)

Danis, A.; Ciubotariu, M.; Oncescu, M.; Mocsy, I.; Tomulescu, V.

2000-01-01

The diffusion and deposition of the gaseous and solid alpha radionuclides/aerosols depend strongly on the relative air humidity. This dependence gets a great significance in the case of radon and their genetically related alpha radionuclides monitoring in the dwelling and working places for radioprotection purposes, particularly in establishing the equilibrium factor. For the gaseous and solid alpha radionuclides genetically related, Rn-222 and its solid alpha descendants including their aerosols obtained by radionuclide attachments to different particles present in air, the vertical gradient of volume concentrations was experimentally determined. The experiments were performed in: an airtight tubular laboratory chamber, a house cellar (Cluj-Napoca) and the entrance gallery of an abandoned mine (Avram Iancu, Bihor), in which the relative humidity was ranging from 65% up to 96%. For the laboratory chamber, these radionuclides were generated by a calibrated Ra-226 source, prepared at the Radionuclide Production Centre, IPNE-HH, Bucharest. The source was included into an air tight device with a well known volume and it was used only after 40 days, when the Ra-226 and its alpha descendants were under radioactive equilibrium. For the diffusion/deposition studies, this source was coupled with the airtight laboratory chamber. In the mine gallery and house cellar, the radon and its descendants were naturally and continuously generated by radium sources in soil and building materials. The alpha volume concentration determinations required the use of a very accurate and sensitive alpha measurement method. These requirements were met by the alpha track method. This method was used by us in the following conditions: the CR-39 plastic track detector (Page, England) for the detection of the alpha particles and the optical microscopy for the study of alpha tracks (Wild stereomicroscope M7S and a Karl Zeiss Jena binocular microscope). The volume concentrations of radon and the

Concentration Distribution of Chloride Ion under the Influence of the Convection-Diffusion Coupling

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Q. L. Zhao

2017-01-01

Full Text Available The transfer process of chloride ion under the action of the convection-diffusion coupling was analyzed in order to predict the corrosion of reinforcement and the durability of structure more accurately. Considering the time-varying properties of diffusion coefficient and the space-time effect of the convection velocity, the differential equation for chloride ion transfer under the action of the convection-diffusion coupling was constructed. And then the chloride ion transfer model was validated by the existing experimental datum and the actual project datum. The results showed that when only diffusion was considered, the chlorine ion concentration increased with the time and decreased with the decay index of time. Under the action of the convection-diffusion coupling, at each point of coupling region, the chloride ion concentration first increased and then decreased and tended to stabilize, and the maximum appeared at the moment of convection velocity being 0; in the diffusion zone, the chloride ion concentration increased over time, and the chloride ion concentration of the same location increased with the depth of convection (in the later period, the velocity of convection (in the early period, and the chloride ion concentration of the surface.

Discrete diffusion Monte Carlo for frequency-dependent radiative transfer

International Nuclear Information System (INIS)

Densmore, Jeffery D.; Thompson, Kelly G.; Urbatsch, Todd J.

2011-01-01

Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Implicit Monte Carlo radiative-transfer simulations. In this paper, we develop an extension of DDMC for frequency-dependent radiative transfer. We base our new DDMC method on a frequency integrated diffusion equation for frequencies below a specified threshold. Above this threshold we employ standard Monte Carlo. With a frequency-dependent test problem, we confirm the increased efficiency of our new DDMC technique. (author)

Molecular weight dependence of exciton diffusion in poly(3-hexylthiophene)

DEFF Research Database (Denmark)

Masri, Zarifi; Ruseckas, Arvydas; Emelianova, Evguenia V.

2013-01-01

A joint experimental and theoretical study of singlet exciton diffusion in spin-coated poly(3-hexylthiophene) (P3HT) films and its dependence on molecular weight is presented. The results show that exciton diffusion is fast along the co-facial π–π aggregates of polymer chromophores and about 100...... times slower in the lateral direction between aggregates. Exciton hopping between aggregates is found to show a subtle dependence on interchain coupling, aggregate size, and Boltzmann statistics. Additionally, a clear correlation is observed between the effective exciton diffusion coefficient...

Oxygen concentration diffusion analysis of lead-bismuth-cooled, natural-circulation reactor

International Nuclear Information System (INIS)

Ito, Kei; Sakai, Takaaki

2001-11-01

The feasibility study on fast breeder reactors in Japan has been conducted at JNC and related organizations. The Phase-I study has finished in March, 2001. During the Phase-I activity, lead-bismuth eutectic coolant has been selected as one of the possible coolant options and a medium-scale plant, cooled by a lead-bismuth natural circulation flow was studied. On the other side, it is known that lead-bismuth eutectic has a problem of structural material corrosiveness. It was found that oxygen concentration control in the eutectic plays an important role on the corrosion protection. In this report, we have developed a concentration diffusion analysis code (COCOA: COncentration COntrol Analysis code) in order to carry out the oxygen concentration control analysis. This code solves a two-dimensional concentration diffusion equation by the finite differential method. It is possible to simulate reaction of oxygen and hydrogen by the code. We verified the basic performance of the code and carried out oxygen concentration diffusion analysis for the case of an oxygen increase by a refueling process in the natural circulation reactor. In addition, characteristics of the oxygen control system was discussed for a different type of the control system as well. It is concluded that the COCOA code can simulate diffusion of oxygen concentration in the reactor. By the analysis of a natural circulation medium-scale reactor, we make clear that the ON-OFF control and PID control can well control oxygen concentration by choosing an appropriate concentration measurement point. In addition, even when a trouble occurs in the oxygen emission or hydrogen emission system, it observes that control characteristic drops away. It is still possible, however, to control oxygen concentration in such case. (author)

Diffusion-controlled melting in granitic systems at 800-900degC and 100-200 MPa. Temperature and pressure dependence of the minimum diffusivity in granitic melts

International Nuclear Information System (INIS)

Yuguchi, Takashi; Yamaguchi, Takashi; Iwamoto, Manji-rou; Eguchi, Hibiki; Isobe, Hiroshi; Nishiyama, Tadao

2012-01-01

This paper presents the temperature and pressure dependence of the minimum binary diffusivity in granitic melts. The minimum diffusivities are determined by monitoring the temporal development of the diffusion-controlled melt layer(DCM) in granitic systems (albite (Ab)-quartz (Qtz)-H 2 O and orthoclase (Or)-Qtz-H 2 O) gathered during 31 melting experiments under conditions of 800-900degC and 100-200 MPa for durations of 19-72 h. The DCM is formed between single crystals (Ab or Or crystals) and powdered quartz in all runs and is characterized by a distinct concentration gradient. The maximum thickness of the DCM increases systematically with temperature, pressure, and run duration. Temporal development of the DCM obeys the parabolic growth rate law, using which the diffusivity can be estimated. Plots of concentrations along the diffusion paths in ternary diagrams (Na 2 O-Al 2 O 3 -SiO 2 diagram for the Ab-Qtz-H 2 O system and K 2 O-Al 2 O 3 -SiO 2 diagram for the Or-Qtz-H 2 O system) show linear trends rather than S-shaped trends, indicating that binary nature of diffusion occurs in these systems. Therefore, the diffusive component can be interpreted as an albite component or orthoclase and quartz components (SiO 2 ) rather than an oxide or a cation. (author)

Optimum topology design for the concentrated force diffusion structure of strap-on launch vehicle

Directory of Open Access Journals (Sweden)

Mei Yong

2017-01-01

Full Text Available The thrust from the booster of strap-on launch vehicle is transmitted to the core via the strap-on linkage device, so the reinforced structure to diffusion the concentrated force should be employed in the installation site of this device. To improve the bearing-force characteristics of the concentrated force diffusion structure in strap-on linkage section and realize the lightweight design requirements, topology optimization under multiple load cases is conducted for the concentrated force diffusion structure in this study. The optimal configuration finally obtained can achieve 17.7% reduction in total weight of the structure. Meanwhile, results of strength analysis under standard load cases show the stress level of this design scheme of the concentrated force diffusion structure meet design requirements and the proposed topology optimization method is suitable for the design of the concentrated force diffusion structure in concept design phase.

Scale dependence of the effective matrix diffusion coefficient: Evidence and preliminary interpretation

International Nuclear Information System (INIS)

Liu, Hui-Hai; Zhang, Yingqi; Molz, Fred J.

2006-01-01

The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface contamination and geological disposal of nuclear waste. The effective matrix diffusion coefficient (molecular diffusion coefficient in free water multiplied by matrix tortuosity) is an important parameter for describing matrix diffusion, and in many cases largely determines overall solute transport behavior. While matrix diffusion coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock (Boving and Grathwohl, 2001), several research groups recently have independently found that effective matrix diffusion coefficients much larger than laboratory measurements are needed to match field-scale tracer-test data (Neretnieks, 2002; Becker and Shapiro, 2000; Shapiro, 2001; Liu et al., 2003, 2004a). In addition to the observed enhancement, Liu et al. (2004b), based on a relatively small number of field-test results, reported that the effective matrix diffusion coefficient might be scale dependent, and, like permeability and dispersivity, it seems to increases with test scale. This scale-dependence has important implications for large-scale solute transport in fractured rock. Although a number of mechanisms have been proposed to explain the enhancement of the effective matrix diffusion coefficient, the potential scale dependence and its mechanisms are not fully investigated at this stage. The major objective of this study is to again demonstrate (based on more data published in the literature than those used in Liu et al. [2004b]) the potential scale dependence of the effective

Scale Dependence of the Effective Matrix Diffusion Coefficient : Evidence and Preliminary Interpretation

International Nuclear Information System (INIS)

H.H. Liu; Y. Zhang

2006-01-01

The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface contamination and geological disposal of nuclear waste. The effective matrix diffusion coefficient (molecular diffusion coefficient in free water multiplied by matrix tortuosity) is an important parameter for describing matrix diffusion, and in many cases largely determines overall solute transport behavior. While matrix diffusion coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock (Boving and Grathwohl, 2001), several research groups recently have independently found that effective matrix diffusion coefficients much larger than laboratory measurements are needed to match field-scale tracer-test data (Neretnieks, 2002; Becker and Shapiro, 2000; Shapiro, 2001; Liu et al., 2003,2004a). In addition to the observed enhancement, Liu et al. (2004b), based on a relatively small number of field-test results, reported that the effective matrix diffusion coefficient might be scale dependent, and, like permeability and dispersivity, it seems to increases with test scale. This scale-dependence has important implications for large-scale solute transport in fractured rock. Although a number of mechanisms have been proposed to explain the enhancement of the effective matrix diffusion coefficient, the potential scale dependence and its mechanisms are not fully investigated at this stage. The major objective of this study is to again demonstrate (based on more data published in the literature than those used in Liu et al. [2004b]) the potential scale dependence of the effective

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

Directory of Open Access Journals (Sweden)

Olivier Reynaud

2017-11-01

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

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

Science.gov (United States)

Reynaud, Olivier

2017-11-01

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

Sonophoresis Using Ultrasound Contrast Agents: Dependence on Concentration.

Directory of Open Access Journals (Sweden)

Donghee Park

Full Text Available Sonophoresis can increase skin permeability to various drugs in transdermal drug delivery. Cavitation is recognized as the predominant mechanism of sonophoresis. Recently, a new logical approach to enhance the efficiency of transdermal drug delivery was tried. It is to utilize the engineered microbubble and its resonant frequency for increase of cavitation activity. Actively-induced cavitation with low-intensity ultrasound (less than ~1 MPa causes disordering of the lipid bilayers and the formation of aqueous channels by stable cavitation which indicates a continuous oscillation of bubbles. Furthermore, the mutual interactions of microbubble determined by concentration of added bubble are also thought to be an important factor for activity of stable cavitation, even in different characteristics of drug. In the present study, we addressed the dependence of ultrasound contrast agent concentration using two types of drug on the efficiency of transdermal drug delivery. Two types of experiment were designed to quantitatively evaluate the efficiency of transdermal drug delivery according to ultrasound contrast agent concentration. First, an experiment of optical clearing using a tissue optical clearing agent was designed to assess the efficiency of sonophoresis with ultrasound contrast agents. Second, a Franz diffusion cell with ferulic acid was used to quantitatively determine the amount of drug delivered to the skin sample by sonophoresis with ultrasound contrast agents. The maximum enhancement ratio of sonophoresis with a concentration of 1:1,000 was approximately 3.1 times greater than that in the ultrasound group without ultrasound contrast agent and approximately 7.5 times greater than that in the control group. These results support our hypothesis that sonophoresis becomes more effective in transdermal drug delivery due to the presence of engineered bubbles, and that the efficiency of transdermal drug delivery using sonophoresis with

Sonophoresis Using Ultrasound Contrast Agents: Dependence on Concentration.

Science.gov (United States)

Park, Donghee; Song, Gillsoo; Jo, Yongjun; Won, Jongho; Son, Taeyoon; Cha, Ohrum; Kim, Jinho; Jung, Byungjo; Park, Hyunjin; Kim, Chul-Woo; Seo, Jongbum

2016-01-01

Sonophoresis can increase skin permeability to various drugs in transdermal drug delivery. Cavitation is recognized as the predominant mechanism of sonophoresis. Recently, a new logical approach to enhance the efficiency of transdermal drug delivery was tried. It is to utilize the engineered microbubble and its resonant frequency for increase of cavitation activity. Actively-induced cavitation with low-intensity ultrasound (less than ~1 MPa) causes disordering of the lipid bilayers and the formation of aqueous channels by stable cavitation which indicates a continuous oscillation of bubbles. Furthermore, the mutual interactions of microbubble determined by concentration of added bubble are also thought to be an important factor for activity of stable cavitation, even in different characteristics of drug. In the present study, we addressed the dependence of ultrasound contrast agent concentration using two types of drug on the efficiency of transdermal drug delivery. Two types of experiment were designed to quantitatively evaluate the efficiency of transdermal drug delivery according to ultrasound contrast agent concentration. First, an experiment of optical clearing using a tissue optical clearing agent was designed to assess the efficiency of sonophoresis with ultrasound contrast agents. Second, a Franz diffusion cell with ferulic acid was used to quantitatively determine the amount of drug delivered to the skin sample by sonophoresis with ultrasound contrast agents. The maximum enhancement ratio of sonophoresis with a concentration of 1:1,000 was approximately 3.1 times greater than that in the ultrasound group without ultrasound contrast agent and approximately 7.5 times greater than that in the control group. These results support our hypothesis that sonophoresis becomes more effective in transdermal drug delivery due to the presence of engineered bubbles, and that the efficiency of transdermal drug delivery using sonophoresis with microbubbles depends on the

Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems.

Science.gov (United States)

Krekelberg, William P; Siderius, Daniel W; Shen, Vincent K; Truskett, Thomas M; Errington, Jeffrey R

2017-12-12

Using molecular simulations, we investigate the relationship between the pore-averaged and position-dependent self-diffusivity of a fluid adsorbed in a strongly attractive pore as a function of loading. Previous work (Krekelberg, W. P.; Siderius, D. W.; Shen, V. K.; Truskett, T. M.; Errington, J. R. Connection between thermodynamics and dynamics of simple fluids in highly attractive pores. Langmuir 2013, 29, 14527-14535, doi: 10.1021/la4037327) established that pore-averaged self-diffusivity in the multilayer adsorption regime, where the fluid exhibits a dense film at the pore surface and a lower density interior pore region, is nearly constant as a function of loading. Here we show that this puzzling behavior can be understood in terms of how loading affects the fraction of particles that reside in the film and interior pore regions as well as their distinct dynamics. Specifically, the insensitivity of pore-averaged diffusivity to loading arises from the approximate cancellation of two factors: an increase in the fraction of particles in the higher diffusivity interior pore region with loading and a corresponding decrease in the particle diffusivity in that region. We also find that the position-dependent self-diffusivities scale with the position-dependent density. We present a model for predicting the pore-average self-diffusivity based on the position-dependent self-diffusivity, which captures the unusual characteristics of pore-averaged self-diffusivity in strongly attractive pores over several orders of magnitude.

Radial diffusive sampler for the determination of 8-h ambient ozone concentrations

International Nuclear Information System (INIS)

Plaisance, H.; Gerboles, M.; Piechocki, A.; Detimmerman, F.; Saeger, E. de

2007-01-01

The 8-h ozone radial diffusive sampler was evaluated according to the CEN protocol for the validation of diffusive samplers. All the parameters regarding the sampler characteristics were found to be consistent with the requirements of this protocol apart from the blank value, which must be evaluated and subtracted at each sampling. The nominal uptake rate was determined in laboratory conditions. However, the uptake rate depends on the mass uptake, temperature, humidity and on the combination of temperature and humidity. Based on laboratory experiments, an empirical model has been established which improved the agreement between the radial sampler and the reference method. This improvement was observed under several different meteorological and emission conditions of sampling. By using the model equation of uptake rate, the data quality objective of 30% for the expanded uncertainty included in the O 3 European Directive, is easily attained. Therefore, the sampler represents an appropriate indicative method. - A passive sampler has been fully validated for monitoring 8-h ozone concentrations in ambient air

Diffusion of I{sup -}, Cs{sup +}, and Sr{sup 2+} in compacted bentonite - Anion exclusion and surface diffusion

Energy Technology Data Exchange (ETDEWEB)

Eriksen, T.E.; Jansson, Mats [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Nuclear Chemistry

1996-11-01

The diffusion of I, Cs and Sr ions in bentonite compacted to a dry density of 1.8 gr/cm{sup 3} and saturated with two groundwaters of different ionic strength have been studied experimentally using the through diffusion technique. The I{sup -} diffusivity and diffusion porosity were found to be concentration independent in the concentration range exp(-8) to exp(-2) mol/dm{sup 3}. The diffusion porosity, being only a fraction of the water porosity for normal groundwaters, is strongly ionic strength dependent due to anion exclusion. The dependence of the diffusion of Cs{sup +} and Sr{sup 2+} on the sorption intensity is accommodated by a model encompassing diffusion of the sorbed cations within the electrical double layer next to the mineral surface in addition to diffusion in the pore water. 18 refs, 12 figs.

Diffusion of Gold and Platinum in Amorphous Silicon

CERN Multimedia

Voss, T L

2002-01-01

By means of radiotracer experiments the diffusion of Au and Pt in radio-frequency-sputtered amorphous silicon (a-Si) was investigated. Specimens of a-Si with homogeneous doping concentrations of Au or Pt in the range 0$\\, - \\,$1,7~at.\\% were produced by co-sputtering of Si and Au or Pt, respectively. An additional tiny concentration of radioactive $^{195}$Au or $^{188}$Pt, about 10~at.ppm, was implanted at ISOLDE. The resulting Gaussian distribution of the implanted atoms served as a probe for measuring diffusion coefficients at various doping concentrations. It was found that for a given doping concentration the diffusion coefficients show Arrhenius-type temperature dependences, where the diffusion enthalpy and the pre-exponential factor depend on the doping concentration. From these results it was concluded that in a-Si Au and Pt undergo direct, interstitial-like diffusion that is retarded by temporary trapping of the radiotracer atoms at vacancy-type defects with different binding enthalpies. In the case o...

Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics.

Science.gov (United States)

Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

2015-03-28

A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

International Nuclear Information System (INIS)

Guo, Ran; Du, Jiulin

2015-01-01

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

Energy Technology Data Exchange (ETDEWEB)

Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com

2015-08-15

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.

Diffusion paths in Ti-Zr-Nb system

International Nuclear Information System (INIS)

Omasheva, G.Sh.; Gryzunov, V.I.; Sokolovskaya, E.M.

1992-01-01

Mutual diffusion at the temperature of 1273 K was studied. Diffusional paths were plotted and matrix of mutual diffusion coefficients D ij k for 26 points of concentrational triangle was calculated. It is ascertained that all diffusion coefficients are concentration-depending values, they wary by three orders with the change in the composition, corresponding to titanium angle, to niobium one

Phase and thickness dependence of thermal diffusivity in a-SiCxNy and a-BCxNy

International Nuclear Information System (INIS)

Chattopadhyay, S.; Chen, L.C.; Chien, S.C.; Lin, S.T.; Wu, C.T.; Chen, K.H.

2002-01-01

Thermal diffusivity (α) and bonding configuration of amorphous silicon carbon nitride (a-SiC x N y ) and boron carbon nitride (a-BC x N y ) films on silicon substrates were studied. Measurement of α by the traveling wave technique and bonding characterisation through X-ray photoelectron spectroscopy in a-SiC x N y and a-BC x N y films having different carbon concentrations revealed that lower coordinated bonds were detrimental to the thermal diffusivity of these films. Furthermore, α was found to depend on the thickness of these films deposited on silicon. This was attributed to the interface thermal resistance between two thermally different materials, the film and the substrate, although other factors such as film microstructure could also play a role. An empirical relation for the variation of thermal diffusivity with thickness is proposed

Influence of oxygen partial pressure on defect concentrations and on oxygen diffusion in UO2+x

International Nuclear Information System (INIS)

Pizzi, Elisabetta

2013-01-01

The hyper-stoichiometric uranium dioxide (UO 2+x ) is stable over a wide range of temperature and compositions. Such variations of composition and the eventual presence of doping elements or impurities lead to a variation of anionic and electronic defect concentrations. Moreover, many properties of this material are affected by its composition modifications, in particular their atomic transport properties. Firstly we developed a point defect model to evaluate the dependence of the electronic and oxygen defect concentrations upon temperature, equilibrium oxygen partial pressure and impurity content. The physical constants of the model, in particular the equilibrium constants of the defect formation reactions were determined from deviation from stoichiometry and electrical conductivity measurements of literature. This work enabled us to interpret our measures of conductivity, oxygen chemical and self- diffusion coefficients. From a quantitative standpoint, the analysis of our experimental results allows to evaluate the oxygen interstitial diffusion coefficient but also its formation energy. Moreover, an estimate of oxygen di-interstitial formation energy is also provided. Presence of oxygen clusters leads oxygen self- and chemical diffusion to decrease. X-ray Absorption Spectroscopy characterization shows the presence of the same defect in the entire deviation from stoichiometry studied, confirming the approach used to develop the model. (author) [fr

Nitric oxide airway diffusing capacity and mucosal concentration in asthmatic schoolchildren.

Science.gov (United States)

Pedroletti, Christophe; Högman, Marieann; Meriläinen, Pekka; Nordvall, Lennart S; Hedlin, Gunilla; Alving, Kjell

2003-10-01

Asthmatic patients show increased concentrations of nitric oxide (NO) in exhaled air (Feno). The diffusing capacity of NO in the airways (Dawno), the NO concentrations in the alveoli and the airway wall, and the maximal airway NO diffusion rate have previously been estimated noninvasively by measuring Feno at different exhalation flow rates in adults. We investigated these variables in 15 asthmatic schoolchildren (8-18 y) and 15 age-matched control subjects, with focus on their relation to exhaled NO at the recommended exhalation flow rate of 0.05 L/s (Feno0.05), age, and volume of the respiratory anatomic dead space. NO was measured on-line by chemiluminescence according to the European Respiratory Society's guidelines, and the NO plateau values at three different exhalation flow rates (11, 99, and 382 mL/s) were incorporated in a two-compartment model for NO diffusion. The NO concentration in the airway wall (p < 0.001), Dawno (p < 0.01), and the maximal airway NO diffusion rate (p < 0.001) were all higher in the asthmatic children than in control children. In contrast, there was no difference in the NO concentration in the alveoli (p = 0.13) between the groups. A positive correlation was seen between the volume of the respiratory anatomic dead space and Feno0.05 (r = 0.68, p < 0.01), the maximal airway NO diffusion rate (r = 0.71, p < 0.01), and Dawno (r = 0.56, p < 0.01) in control children, but not in asthmatic children. Feno0.05 correlated better with Dawno in asthmatic children (r = 0.65, p < 0.01) and with the NO concentration in the airway wall in control subjects (r < 0.77, p < 0.001) than vice versa. We conclude that Feno0.05 increases with increasing volume of the respiratory anatomic dead space in healthy children, suggesting that normal values for Feno0.05 should be related to age or body weight in this age group. Furthermore, the elevated Feno0.05 seen in asthmatic children is related to an increase in both Dawno and NO concentration in the airway

Concentration transients in a gaseous diffusion plant (1961); Cinetique des concentrations dans une usine de separation isotopique (1961)

Energy Technology Data Exchange (ETDEWEB)

Jacques, R; Bilous, O [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1961-07-01

Concentration transients are examined in the case of a gaseous diffusion plant for uranium isotope separation. An application is made for a plant built with two rectifying cascades of different sizes and a stripping cascade. Transients are calculated for a change in the feed concentration, the transport and also for shutdown of a group of separating stages in one of the cascades. (authors) [French] On examine l'evolution des concentrations dans une usine de separation isotopique de l'uranium basee sur le procede de diffusion gazeuse et formee de cascades carrees. Une application est faite pour une installation formee de deux cascades enrichissantes de tailles differentes et d'une cascade appauvrissante. On calcule en particulier les regimes transitoires apres variation de la concentration d'alimentation, du transport et apres mise hors circuit d'un groupe d'etages dans l'une des cascades. (auteurs)

Experimental investigation of concentration and stable isotopes signals during organic contaminants back diffusion

DEFF Research Database (Denmark)

Jin, Biao; Nika, Chrysanthi-Elisabeth; Rolle, Massimo

2017-01-01

-dichloroethene (cis-DCE) as model contaminant and we investigated its back diffusion from an impermeable source into a permeable saturated layer, in which advection-dominated flow conditions were established. We used concentration and stable chlorine isotope measurements to investigate the plumes originated by cis...... and stable isotope gradients in the flow-through setup. In particular, steep concentration and stable isotope gradients were observed at the outlet. Lateral isotope gradients corresponding to chlorine isotope fractionation up to 20‰ were induced by cis-DCE back diffusion and subsequent advection......-dominated transport in all flow-through experiments. A numerical modeling approach, tracking individually all chlorine isotopologues, based on the accurate parameterization of local dispersion, as well as on the values of aqueous diffusion coefficients and diffusion-induced isotope fractionation from a previous study...

Temperature and concentration calibration of aqueous polyvinylpyrrolidone (PVP solutions for isotropic diffusion MRI phantoms.

Directory of Open Access Journals (Sweden)

Friedrich Wagner

Full Text Available To use the "apparent diffusion coefficient" (Dapp as a quantitative imaging parameter, well-suited test fluids are essential. In this study, the previously proposed aqueous solutions of polyvinylpyrrolidone (PVP were examined and temperature calibrations were obtained. For example, at a temperature of 20°C, Dapp ranged from 1.594 (95% CI: 1.593, 1.595 μm2/ms to 0.3326 (95% CI: 0. 3304, 0.3348 μm2/ms for PVP-concentrations ranging from 10% (w/w to 50% (w/w using K30 polymer lengths. The temperature dependence of Dapp was found to be so strong that a negligence seems not advisable. The temperature dependence is descriptively modelled by an exponential function exp(c2 (T - 20°C and the determined c2 values are reported, which can be used for temperature calibration. For example, we find the value 0.02952 K-1 for 30% (w/w PVP-concentration and K30 polymer length. In general, aqueous PVP solutions were found to be suitable to produce easily applicable and reliable Dapp-phantoms.

Direct measurement of time dependent diffusion for Ag and Au under ambient conditions

Energy Technology Data Exchange (ETDEWEB)

Yoo, Pil Sun; Jo, Han Yeol; Kim, Tae Kyeong [Hankuk University of Foreign Studies, Yongin (Korea, Republic of)

2014-12-15

Time-dependent diffusion for Ag and Au metal atoms was measured using the scanning tunneling microscope break-junction technique in ambient conditions. We observed that Ag contacts do not form long single-atomic chains compared to Au contacts during the elongation of each metal electrode, and Ag atoms diffuse more quickly than Au atoms after metal contact rupture. This is consistent with previous results of molecular dynamic simulations. Further, we found a correlation between diffusion length and the evolution time on an atomic scale to reveal the time-dependent diffusion for Ag and Au metal atoms.

Diffusion of hydrous species in model basaltic melt

Science.gov (United States)

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

2017-10-01

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

An improved procedure for determining grain boundary diffusion coefficients from averaged concentration profiles

Science.gov (United States)

Gryaznov, D.; Fleig, J.; Maier, J.

2008-03-01

Whipple's solution of the problem of grain boundary diffusion and Le Claire's relation, which is often used to determine grain boundary diffusion coefficients, are examined for a broad range of ratios of grain boundary to bulk diffusivities Δ and diffusion times t. Different reasons leading to errors in determining the grain boundary diffusivity (DGB) when using Le Claire's relation are discussed. It is shown that nonlinearities of the diffusion profiles in lnCav-y6/5 plots and deviations from "Le Claire's constant" (-0.78) are the major error sources (Cav=averaged concentration, y =coordinate in diffusion direction). An improved relation (replacing Le Claire's constant) is suggested for analyzing diffusion profiles particularly suited for small diffusion lengths (short times) as often required in diffusion experiments on nanocrystalline materials.

Density-dependent electron scattering in photoexcited GaAs in strongly diffusive regime

DEFF Research Database (Denmark)

Mics, Zoltán; D’Angio, Andrea; Jensen, Søren A.

2013-01-01

In a series of systematic optical pump–terahertz probe experiments, we study the density-dependent electron scattering rate in photoexcited GaAs in the regime of strong carrier diffusion. The terahertz frequency-resolved transient sheet conductivity spectra are perfectly described by the Drude...... model, directly yielding the electron scattering rates. A diffusion model is applied to determine the spatial extent of the photoexcited electron-hole gas at each moment after photoexcitation, yielding the time-dependent electron density, and hence the density-dependent electron scattering time. We find...

Determination of diffusible and total hydrogen concentration in coated and uncoated steel

Energy Technology Data Exchange (ETDEWEB)

Mabho, Nonhlangabezo

2010-09-23

The new trend in the steel industry demands thin, flexible, high strength steels with low internal embrittlement. It is a well known fact that the atomic hydrogen which is picked up during production, fabrication and service embrittles the steel. This has led to an extensive research towards the improvement of the quality of metallic materials by focusing on total and diffusible hydrogen concentrations which are responsible for hydrogen embrittlement. Since the internal embrittlement cannot be foreseen, the concentrations of diffusible hydrogen work as indicators while the total hydrogen characterizes the absorbed quantities and quality of that particular product. To meet these requirements, the analytical chemistry methods which include the already existing carrier gas melt (fusion) extraction methods that use infrared and thermal conductivity for total hydrogen detection were applied. The newly constructed carrier gas thermal desorption mass spectroscopy was applied to monitor the diffusible concentration at specific temperatures and desorption rates of hydrogen which will contribute towards the quality of materials during service. The TDMS method also involved the characterization of the energy quantity (activation energy) required by hydrogen to be removed from traps of which irreversible traps are preferred because they enhance the stability of the product by inhibiting the mobility of hydrogen which is detrimental to the metallic structures. The instrumentation for TDMS is quite simple, compact, costs less and applicable to routine analysis. To determine total and diffusible hydrogen, the influence of the following processes: chemical and mechanical zinc coating removal, sample cleaning with organic solvents, conditions for hydrogen absorption by electrolytic hydrogen charging, conditions of hydrogen desorption by storing the sample at room temperature, solid CO{sub 2} and at temperatures of the drier was analysed. The contribution of steel alloys towards

Oxygenation level and hemoglobin concentration in experimental tumor estimated by diffuse optical spectroscopy

Science.gov (United States)

Orlova, A. G.; Kirillin, M. Yu.; Volovetsky, A. B.; Shilyagina, N. Yu.; Sergeeva, E. A.; Golubiatnikov, G. Yu.; Turchin, I. V.

2017-07-01

Using diffuse optical spectroscopy the level of oxygenation and hemoglobin concentration in experimental tumor in comparison with normal muscle tissue of mice have been studied. Subcutaneously growing SKBR-3 was used as a tumor model. Continuous wave fiber probe diffuse optical spectroscopy system was employed. Optical properties extraction approach was based on diffusion approximation. Decreased blood oxygen saturation level and increased total hemoglobin content were demonstrated in the neoplasm. The main reason of such differences between tumor and norm was significant elevation of deoxyhemoglobin concentration in SKBR-3. The method can be useful for diagnosis of tumors as well as for study of blood flow parameters of tumor models with different angiogenic properties.

Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method

International Nuclear Information System (INIS)

Zhong, Xinxin; Zhao, Yi; Cao, Jianshu

2014-01-01

The time-dependent wavepacket diffusion method for carrier quantum dynamics (Zhong and Zhao 2013 J. Chem. Phys. 138 014111), a truncated version of the stochastic Schrödinger equation/wavefunction approach that approximately satisfies the detailed balance principle and scales well with the size of the system, is applied to investigate the carrier transport in one-dimensional systems including both the static and dynamic disorders on site energies. The predicted diffusion coefficients with respect to temperature successfully bridge from band-like to hopping-type transport. As demonstrated in paper I (Moix et al 2013 New J. Phys. 15 085010), the static disorder tends to localize the carrier, whereas the dynamic disorder induces carrier dynamics. For the weak dynamic disorder, the diffusion coefficients are temperature-independent (band-like property) at low temperatures, which is consistent with the prediction from the Redfield equation, and a linear dependence of the coefficient on temperature (hopping-type property) only appears at high temperatures. In the intermediate regime of dynamic disorder, the transition from band-like to hopping-type transport can be easily observed at relatively low temperatures as the static disorder increases. When the dynamic disorder becomes strong, the carrier motion can follow the hopping-type mechanism even without static disorder. Furthermore, it is found that the memory time of dynamic disorder is an important factor in controlling the transition from the band-like to hopping-type motions. (paper)

A molecular dynamics investigation of the unusual concentration dependencies of Fick diffusivities in silica mesopores

NARCIS (Netherlands)

Krishna, R.; van Baten, J.M.

2011-01-01

Molecular Dynamics (MD) simulations were carried out to determine the self-diffusivitiy, Di,self, the Maxwell-Stefan diffusivity, Ði, and the Fick diffusivity, Di, for methane (C1), ethane (C2), propane (C3), n-butane (nC4), n-pentane (nC5), n-hexane (nC6), n-heptane (nC7), and cyclohexane (cC6) in

Ammonia Diffusion through Nalophan Double Bags: Effect of Concentration Gradient Reduction

Science.gov (United States)

Capelli, Laura; Boiardi, Emanuela; Del Rosso, Renato

2014-01-01

The ammonia loss through Nalophan bags has been studied. The losses observed for storage conditions and times as allowed by the reference standard for dynamic olfactometry (EN 13725:2003) indicate that odour concentration values due to the presence of small molecules may be significantly underestimated if samples are not analysed immediately after sampling. A diffusion model was used in order to study diffusion through the bag. The study discusses the effect of concentration gradient (ΔC) across the polymeric membrane of the analyte. The ΔC was controlled by using a setup bag called “double bags.” Experimental data show a reduction of ammonia percentage losses due to the effect of the external multibarrier. The expedient of the double bag loaded with the same gas mixture allows a reduced diffusion of ammonia into the inner bag. Comparing the inner bag losses with those of the single bag stored in the same conditions (T, P, u) and with equal geometrical characteristics (S/V, z), it was observed that the inner bag of the double bag displays a 16% loss while the single bag displays a 37% loss. Acting on the ΔC it is possible to achieve a gross reduction of 57% in the ammonia leakage due to diffusion. PMID:25506608

Ammonia diffusion through Nalophan double bags: effect of concentration gradient reduction.

Science.gov (United States)

Sironi, Selena; Eusebio, Lidia; Capelli, Laura; Boiardi, Emanuela; Del Rosso, Renato

2014-01-01

The ammonia loss through Nalophan bags has been studied. The losses observed for storage conditions and times as allowed by the reference standard for dynamic olfactometry (EN 13725:2003) indicate that odour concentration values due to the presence of small molecules may be significantly underestimated if samples are not analysed immediately after sampling. A diffusion model was used in order to study diffusion through the bag. The study discusses the effect of concentration gradient (ΔC) across the polymeric membrane of the analyte. The ΔC was controlled by using a setup bag called "double bags." Experimental data show a reduction of ammonia percentage losses due to the effect of the external multibarrier. The expedient of the double bag loaded with the same gas mixture allows a reduced diffusion of ammonia into the inner bag. Comparing the inner bag losses with those of the single bag stored in the same conditions (T, P, u) and with equal geometrical characteristics (S/V, z), it was observed that the inner bag of the double bag displays a 16% loss while the single bag displays a 37% loss. Acting on the ΔC it is possible to achieve a gross reduction of 57% in the ammonia leakage due to diffusion.

Diffusion phenomena in polycrystalline chromium near the upper homological temperature of intercrystalline diffusion manifestation

International Nuclear Information System (INIS)

Kajgorodov, V.N.; Klothman, S.M.; Kurkin, M.I.; Dyakin, V.V.; Zherebthov, D.V.

1997-01-01

A study is made into the temperature dependences of density of states in a zone of intercrystalline diffusion of atomic probes 57 Co in polycrystalline chromium as well as in the temperature dependences of isomer shift and line width in Moessbauer spectra near the upper temperature boundary of manifestation of intercrystalline diffusion. In polycrystalline chromium the release of states in the core of the crystallite conjugation region (CCR) takes place only at high temperatures due to the fact that a stationary zone of high point defect concentration in the vicinity of CCR is conserved up to high temperatures. The atomic probe escape from the core of CCR starts at the temperatures at which the equilibrium vacancy concentration in the bulk of crystallite is equal to that in a stationary zone of high defect concentration

Nonlinear diffusion in the presence of a time-dependent external electric field

International Nuclear Information System (INIS)

Lima e Silva, T. de; Galvao, R.M.O.

1987-09-01

The influence of a time-dependent external electric field on the nonlinear diffusion process of weakly ionized plasmas is investigated. A new solution of the diffusion equation is obtained for the case when electron-ion collisions can be neglected. (author) [pt

Characterization of Phospholipid Mixed Micelles by Translational Diffusion

International Nuclear Information System (INIS)

Chou, James J.; Baber, James L.; Bax, Ad

2004-01-01

The concentration dependence of the translational self diffusion rate, D s , has been measured for a range of micelle and mixed micelle systems. Use of bipolar gradient pulse pairs in the longitudinal eddy current delay experiment minimizes NOE attenuation and is found critical for optimizing sensitivity of the translational diffusion measurement of macromolecules and aggregates. For low volume fractions Φ (Φ ≤ 15% v/v) of the micelles, experimental measurement of the concentration dependence, combined with use of the D s =D o (1-3.2λΦ) relationship, yields the hydrodynamic volume. For proteins, the hydrodynamic volume, derived from D s at infinitely dilute concentration, is found to be about 2.6 times the unhydrated molecular volume. Using the data collected for hen egg white lysozyme as a reference, diffusion data for dihexanoyl phosphatidylcholine (DHPC) micelles indicate approximately 27 molecules per micelle, and a critical micelle concentration of 14 mM. Differences in translational diffusion rates for detergent and long chain phospholipids in mixed micelles are attributed to rapid exchange between free and micelle-bound detergent. This difference permits determination of the free detergent concentration, which, for a high detergent to long chain phospholipid molar ratio, is found to depend strongly on this ratio. The hydrodynamic volume of DHPC/POPC bicelles, loaded with an M2 channel peptide homolog, derived from translational diffusion, predicts a rotational correlation time that slightly exceeds the value obtained from peptide 15 N relaxation data

Investigation of concentration-dependence of thermodynamic properties of lanthanum, yttrium, scandium and terbium in eutectic LiCl-KCl molten salt

Energy Technology Data Exchange (ETDEWEB)

Wang, Yafei; Zhou, Wentao; Zhang, Jinsuo, E-mail: zhang.3558@osu.edu

2016-09-15

Thermodynamic properties of rare earth metals in LiCl-KCl molten salt electrolyte are crucial to the development of electrochemical separation for the treatment of used nuclear fuels. In the present study, activity coefficient, apparent potential, and diffusion coefficient of lanthanum, yttrium, scandium, and terbium in the molten salt (58 at% LiCl and 42 at% KCl) were calculated by the method of molecular dynamics simulation up to a concentration around 3 at% at temperatures of 723 K and 773 K. It was found that the activity coefficient and the apparent potential increase with the species concentration while diffusion coefficient shows a trend of increase followed by decrease. The calculated results were validated by available measurement data of dilution cases. This research extends the range of data to a wide component and would provide further insight to the pyroprocessing design and safeguards. - Highlights: • Investigation of activity coefficient, apparent potential and diffusion coefficient at different concentrations. • MD simulation was studied for the calculation of thermodynamic properties of rare earth elements in molten salt. • The present study is a pioneering work focusing on the concentration dependence of thermodynamic properties.

Time-dependent diffusive acceleration of test particles at shocks

Energy Technology Data Exchange (ETDEWEB)

Drury, L.O' C. (Dublin Inst. for Advanced Studies (Ireland))

1991-07-15

The acceleration of test particles at a steady plane non-relativistic shock is considered. Analytic expressions are found for the mean and the variance of the acceleration time distribution in the case where the diffusion coefficient has an arbitrary dependence on position and momentum. These expressions are used as the basis for an approximation scheme which is shown, by comparison with numerical solutions, to give an excellent representation of the time-dependent spectrum. (author).

Time-dependent diffusive acceleration of test particles at shocks

International Nuclear Information System (INIS)

Drury, L.O'C.

1991-01-01

The acceleration of test particles at a steady plane non-relativistic shock is considered. Analytic expressions are found for the mean and the variance of the acceleration time distribution in the case where the diffusion coefficient has an arbitrary dependence on position and momentum. These expressions are used as the basis for an approximation scheme which is shown, by comparison with numerical solutions, to give an excellent representation of the time-dependent spectrum. (author)

Dependence of tracer diffusion on atomic size in amorphous Ni-Zr

International Nuclear Information System (INIS)

Hahn, H.; Averback, R.S.

1988-01-01

Tracer diffusion coefficients for several impurities and Ni self-atoms were measured in amorphous (a-) Ni/sub 50/Zr/sub 50/ at 573 K using secondary-ion-mass spectroscopy, Rutherford backscattering, and radioactive tracer methods. The results showed that atomic mobility in the a-Ni-Zr alloy depends strongly on atomic size, decreasing rapidly with increasing atomic radius. This diffusion behavior is similar to that in α-Zr and α-Ti and is suggestive of an interstitial-like mechanism of diffusion. The consequences of these results for solid-state amorphization transformations are discussed

Determination of spatially dependent diffusion parameters in bovine bone using Kalman filter.

Science.gov (United States)

Shokry, Abdallah; Ståhle, Per; Svensson, Ingrid

2015-11-07

Although many studies have been made for homogenous constant diffusion, bone is an inhomogeneous material. It has been suggested that bone porosity decreases from the inner boundaries to the outer boundaries of the long bones. The diffusivity of substances in the bone matrix is believed to increase as the bone porosity increases. In this study, an experimental set up is used where bovine bone samples, saturated with potassium chloride (KCl), were put into distilled water and the conductivity of the water was followed. Chloride ions in the bone samples escaped out in the water through diffusion and the increase of the conductivity was measured. A one-dimensional, spatially dependent mathematical model describing the diffusion process is used. The diffusion parameters in the model are determined using a Kalman filter technique. The parameters for spatially dependent at endosteal and periosteal surfaces are found to be (12.8 ± 4.7) × 10(-11) and (5 ± 3.5) × 10(-11)m(2)/s respectively. The mathematical model function using the obtained diffusion parameters fits very well with the experimental data with mean square error varies from 0.06 × 10(-6) to 0.183 × 10(-6) (μS/m)(2). Copyright © 2015 Elsevier Ltd. All rights reserved.

Asymptotic inference for jump diffusions with state-dependent intensity

NARCIS (Netherlands)

Becheri, Gaia; Drost, Feico; Werker, Bas

2016-01-01

We establish the local asymptotic normality property for a class of ergodic parametric jump-diffusion processes with state-dependent intensity and known volatility function sampled at high frequency. We prove that the inference problem about the drift and jump parameters is adaptive with respect to

Analog simulation of concentration transients in a gaseous diffusion plant (1961); Etude sur simulateur des regimes transitoires des concentrations dans une installation de diffusion gazeuse (1961)

Energy Technology Data Exchange (ETDEWEB)

Delarousse, P; Trouve, C; Jacques, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1962-07-01

A finite difference system is used to describe concentration transients in a gaseous diffusion plant for uranium isotope separation. The equipment used in this study is described and examples are given to illustrate the problems which have been solved with it. (authors) [French] Le comportement transitoire d'une cascade de diffusion gazeuse est represente de facon approchee par un systeme differentiel aux differences. On decrit le materiel analogique original qui a permis de simuler ce systeme. Une serie d'exemples illustre les differents problemes qui ont ete resolus au moyen de cet appareil. (auteurs)

Reactive diffusion in amorphous Fe-B and Co-Zr multilayer films

International Nuclear Information System (INIS)

Stobiecki, F.

1989-01-01

The diffusion in Fe 1-x B x /Fe 1-y B y and Co 1-x Zr x /Co 1-y Zr y amorphous bi- and multilayers was investigated. The dependence of the diffusion coefficient on concentration was observed. This effect is explained taking into account the concentration dependence of mixing enthalpy correlated with chemical short range order in the amorphous state

A hybrid transport-diffusion Monte Carlo method for frequency-dependent radiative-transfer simulations

International Nuclear Information System (INIS)

Densmore, Jeffery D.; Thompson, Kelly G.; Urbatsch, Todd J.

2012-01-01

Discrete Diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Implicit Monte Carlo radiative-transfer simulations in optically thick media. In DDMC, particles take discrete steps between spatial cells according to a discretized diffusion equation. Each discrete step replaces many smaller Monte Carlo steps, thus improving the efficiency of the simulation. In this paper, we present an extension of DDMC for frequency-dependent radiative transfer. We base our new DDMC method on a frequency-integrated diffusion equation for frequencies below a specified threshold, as optical thickness is typically a decreasing function of frequency. Above this threshold we employ standard Monte Carlo, which results in a hybrid transport-diffusion scheme. With a set of frequency-dependent test problems, we confirm the accuracy and increased efficiency of our new DDMC method.

Normal and anomalous diffusion in fluctuations of dust concentration nearby emission source

Science.gov (United States)

Szczurek, Andrzej; Maciejewska, Monika; Wyłomańska, Agnieszka; Sikora, Grzegorz; Balcerek, Michał; Teuerle, Marek

2018-02-01

Particulate matter (PM) is an important component of air. Nowadays, major attention is payed to fine dust. It has considerable environmental impact, including adverse effect on human health. One of important issues regarding PM is the temporal variation of its concentration. The variation contains information about factors influencing this quantity in time. The work focuses on the character of PM concentration dynamics indoors, in the vicinity of emission source. The objective was to recognize between the homogeneous or heterogeneous dynamics. The goal was achieved by detecting normal and anomalous diffusion in fluctuations of PM concentration. For this purpose we used anomalous diffusion exponent, β which was derived from Mean Square Displacement (MSD) analysis. The information about PM concentration dynamics may be used to design sampling strategy, which serves to attain representative information about PM behavior in time. The data analyzed in this work was collected from single-point PM concentration monitoring in the vicinity of seven emission sources in industrial environment. In majority of cases we observed heterogeneous character of PM concentration dynamics. It confirms the complexity of interactions between the emission sources and indoor environment. This result also votes against simplistic approach to PM concentration measurement indoors, namely their occasional character, short measurement periods and long term averaging.

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

Science.gov (United States)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Chemical composition and properties of spray-dried sugar beet concentrate obtained after ultrafiltration of diffusion juice

Directory of Open Access Journals (Sweden)

Regiec Piotr

2015-03-01

Full Text Available Ultrafiltration of diffusion juice is a method that can reduce environmental pollution during the production of sugar. A by-product (concentrate of ultrafiltration contains a large amount of sucrose, but due to its properties, it is difficult to manage. The aim of this study was to determine the effects of the temperature used during drying of diffusion juice concentrates on the content of certain components and characteristics of resultant preparations. Diffusion juice obtained from one of the Polish sugar plants was subjected to ultrafiltration and the obtained concentrates were dried in a spray dryer. In the dried samples, the following parameters were analyzed: dry mass, sucrose, total ash, protein, crude fiber and color. It has been declared that the degree of concentration and drying temperature influenced the chemical composition and the properties of the dehydrated diffusion juice concentrates. An increase in drying temperature was accompanied by the increased content of dry mass, protein, ash and fiber content in the preparations. The greater the degree of juice concentration, the greater was the content of dry mass, ash, and fiber. Inversely, the greater the degree of juice concentration, the lower the content of sucrose. The brightest color of the dehydrated product was observed at the drying temperature of 200°C. Spray-drying may be used for waste management after the diffusion juice membrane filtration, and the resultant preparations might be used in the production of feedstuff or food industry in general e.g. as sucrose source, in fermentation processes or in microorganisms propagation.

Jump locations of jump-diffusion processes with state-dependent rates

International Nuclear Information System (INIS)

Miles, Christopher E; Keener, James P

2017-01-01

We propose a general framework for studying statistics of jump-diffusion systems driven by both Brownian noise (diffusion) and a jump process with state-dependent intensity. Of particular natural interest in many physical systems are the jump locations: the system evaluated at the jump times. As an example, this could be the voltage at which a neuron fires, or the so-called ‘threshold voltage’. However, the state-dependence of the jump rate provides direct coupling between the diffusion and jump components, making it difficult to disentangle the two to study individually. In this work, we provide an iterative map formulation of the sequence of distributions of jump locations. The distributions computed by this map can be used to elucidate other interesting quantities about the process, including statistics of the interjump times. Ultimately, the limit of the map reveals that knowledge of the stationary distribution of the full process is sufficient to recover (but not necessarily equal to) the distribution of jump locations. We propose two biophysical examples to illustrate the use of this framework to provide insight about a system. We find that a sharp threshold voltage emerges robustly in a simple stochastic integrate-and-fire neuronal model. The interplay between the two sources of noise is also investigated in a stepping model of molecular motor in intracellular transport pulling a diffusive cargo. (paper)

Ergodicity breaking, ageing, and confinement in generalized diffusion processes with position and time dependent diffusivity

International Nuclear Information System (INIS)

Cherstvy, Andrey G; Metzler, Ralf

2015-01-01

We study generalized anomalous diffusion processes whose diffusion coefficient D(x, t) ∼ D 0 |x| α t β depends on both the position x of the test particle and the process time t. This process thus combines the features of scaled Brownian motion and heterogeneous diffusion parent processes. We compute the ensemble and time averaged mean squared displacements of this generalized diffusion process. The scaling exponent of the ensemble averaged mean squared displacement is shown to be the product of the critical exponents of the parent processes, and describes both subdiffusive and superdiffusive systems. We quantify the amplitude fluctuations of the time averaged mean squared displacement as function of the length of the time series and the lag time. In particular, we observe a weak ergodicity breaking of this generalized diffusion process: even in the long time limit the ensemble and time averaged mean squared displacements are strictly disparate. When we start to observe this process some time after its initiation we observe distinct features of ageing. We derive a universal ageing factor for the time averaged mean squared displacement containing all information on the ageing time and the measurement time. External confinement is shown to alter the magnitudes and statistics of the ensemble and time averaged mean squared displacements. (paper)

Effective reaction rates in diffusion-limited phosphorylation-dephosphorylation cycles

Science.gov (United States)

Szymańska, Paulina; Kochańczyk, Marek; Miekisz, Jacek; Lipniacki, Tomasz

2015-02-01

We investigate the kinetics of the ubiquitous phosphorylation-dephosphorylation cycle on biological membranes by means of kinetic Monte Carlo simulations on the triangular lattice. We establish the dependence of effective macroscopic reaction rate coefficients as well as the steady-state phosphorylated substrate fraction on the diffusion coefficient and concentrations of opposing enzymes: kinases and phosphatases. In the limits of zero and infinite diffusion, the numerical results agree with analytical predictions; these two limits give the lower and the upper bound for the macroscopic rate coefficients, respectively. In the zero-diffusion limit, which is important in the analysis of dense systems, phosphorylation and dephosphorylation reactions can convert only these substrates which remain in contact with opposing enzymes. In the most studied regime of nonzero but small diffusion, a contribution linearly proportional to the diffusion coefficient appears in the reaction rate. In this regime, the presence of opposing enzymes creates inhomogeneities in the (de)phosphorylated substrate distributions: The spatial correlation function shows that enzymes are surrounded by clouds of converted substrates. This effect becomes important at low enzyme concentrations, substantially lowering effective reaction rates. Effective reaction rates decrease with decreasing diffusion and this dependence is more pronounced for the less-abundant enzyme. Consequently, the steady-state fraction of phosphorylated substrates can increase or decrease with diffusion, depending on relative concentrations of both enzymes. Additionally, steady states are controlled by molecular crowders which, mostly by lowering the effective diffusion of reactants, favor the more abundant enzyme.

Investigation of a phantom for diffusion weighted imaging that controlled the apparent diffusion coefficient using gelatin and sucrose

International Nuclear Information System (INIS)

Tamura, Takayuki; Usui, Shuji; Akiyama, Mitoshi

2009-01-01

When studying diffusion weighted imaging (DWI), it is important to create a phantom that has a reliably controlled diffusion coefficient. In this study, we investigated phantoms to control both the diffusion coefficient and the T2-value by changing the concentration of gelatin or sucrose and MnCl 2 , respectively. The results showed that the diffusion coefficient decreased linearly with increases in the gelatin or sucrose concentration, and decreasing of their relaxation times was observed. By properly adjusting the MnCl 2 concentrations, we were able to equalize the T2-values between phantoms having different gelatin or sucrose concentrations. Temperature dependence of the diffusion coefficient was also revealed. This phantom can be made stable for a few months by adding a small amount of NaN 3 as an antiseptic agent, has a diffusion coefficient similar to that of neural tissue or clinical tumor, and is able to control the T2-value properly. We consider this phantom suitable for studying SE-type DWI and contributes to elucidation of this technique. (author)

Software simulation and experimental characterisation of a rotationally asymmetrical concentrator under direct and diffuse solar radiation

International Nuclear Information System (INIS)

Freier, Daria; Muhammad-Sukki, Firdaus; Abu-Bakar, Siti Hawa; Ramirez-Iniguez, Roberto; Abubakar Mas’ud, Abdullahi; Albarracín, Ricardo; Ardila-Rey, Jorge Alfredo; Munir, Abu Bakar; Mohd Yasin, Siti Hajar; Bani, Nurul Aini

2016-01-01

Highlights: • The performance of the RADTIRC was analysed under direct and diffuse radiation. • Optical gains of 4.66 under direct and 1.94 under diffuse light were achieved. • The experiments show good agreement with the simulations. • The RADTIRC is an attractive alternative for BICPV systems. - Abstract: Making housing carbon neutral is one of the European Union (EU) targets with the aim to reduce energy consumption and to increase on-site renewable energy generation in the domestic sector. Optical concentrators have a strong potential to minimise the cost of building integrated photovoltaic (BIPV) systems by replacing expensive photovoltaic (PV) material whilst maintaining the same electrical output. In this work, the performance of a recently patented optical concentrator known as the rotationally asymmetrical dielectric totally internally reflective concentrator (RADTIRC) was analysed under direct and diffuse light conditions. The RADTIRC has a geometrical concentration gain of 4.969 and two half acceptance angles of ±40° and ±30° respectively along the two axes. Simulation and experimental work has been carried out to determine the optical concentration gain and the angular response of the concentrator. It was found that the RADTIRC has an optical concentration gain of 4.66 under direct irradiance and 1.94 under diffuse irradiance. The experimental results for the single concentrator showed a reduction in concentration gain of 4.2% when compared with simulation data.

The effects of heterogeneities on memory-dependent diffusion

Science.gov (United States)

Adib, Farhad; Neogi, P.

1993-07-01

Case II diffusion is often seen in glassy polymers, where the mass uptake in sorption is proportional to time t instead of sqrt{t}. A memory dependent diffusion is needed to explain such effects, where the relaxation function used to describe the memory effect has a characteristic time. The ratio of this time to the overall diffusion times is the diffusional Deborah number. Simple models show that case II results when the Deborah number is around one, that is, when the two time scales are comparable. Under investigation are the possible effects of the fact that the glassy polymers are heterogeneous over molecular scales. The averaging form given by DiMarzio and Sanchez has been used to obtain the averaged response. The calculated dynamics of sorption show that whereas case II is still observed, the long term tails change dramatically from the oscillatory to torpid, to chaotic, which are all observed in the experiments. The Deborah number defined here in a self-consistent manner collapses in those cases, but causes no other ill-effects.

Finite element approximation for time-dependent diffusion with measure-valued source

Czech Academy of Sciences Publication Activity Database

Seidman, T.; Gobbert, M.; Trott, D.; Kružík, Martin

2012-01-01

Roč. 122, č. 4 (2012), s. 709-723 ISSN 0029-599X R&D Projects: GA AV ČR IAA100750802 Institutional support: RVO:67985556 Keywords : measure-valued source * diffusion equation Subject RIV: BA - General Mathematics Impact factor: 1.329, year: 2012 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-finite element approximation for time - dependent diffusion with measure-valued source.pdf

Symmetries and modelling functions for diffusion processes

International Nuclear Information System (INIS)

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

2009-01-01

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

Effects of time-dependent diffusion behaviors on the rumor spreading in social networks

Energy Technology Data Exchange (ETDEWEB)

Qiu, Xiaoyan [School of Management, Shanghai University, Shanghai 200444 (China); Zhao, Laijun, E-mail: ljzhao70@sjtu.edu.cn [Sino–US Global Logistics Institute, Shanghai Jiao Tong University, Shanghai 200030 (China); Antai College of Economics and Management, Shanghai Jiao Tong University, Shanghai 200052 (China); Wang, Jiajia [Sino–US Global Logistics Institute, Shanghai Jiao Tong University, Shanghai 200030 (China); Antai College of Economics and Management, Shanghai Jiao Tong University, Shanghai 200052 (China); Wang, Xiaoli [School of Management, Shanghai University of Engineering Science, Shanghai 201620 (China); Wang, Qin [College of Transport & Communications, Shanghai Maritime University, Shanghai 201306 (China)

2016-05-27

When considering roles of realistic external forces (e.g. authorities) and internal forces (e.g. the forgetting nature of human), diffusion behaviors like spreading, stifling and forgetting behaviors are time-dependent. They were incorporated in an SIR-like rumor spreading model to investigate the effects to rumor spreading dynamics. Mean-field equations were derived, and the steady state analysis was conducted. Simulations were carried out on different complex networks. We demonstrated that the combination of the three variable diffusion behaviors provides a faster and larger spreading expansion capacity. Network structure matters considerably in rumor spreading dynamics. - Highlights: • We incorporate time-dependent diffusion behaviors into a SIR-like rumor spreading model. • The combination of the three variable diffusion behaviors provides a faster and larger spreading expansion capacity. • Network structure matters considerably in rumor spreading dynamics.

Effects of time-dependent diffusion behaviors on the rumor spreading in social networks

International Nuclear Information System (INIS)

Qiu, Xiaoyan; Zhao, Laijun; Wang, Jiajia; Wang, Xiaoli; Wang, Qin

2016-01-01

When considering roles of realistic external forces (e.g. authorities) and internal forces (e.g. the forgetting nature of human), diffusion behaviors like spreading, stifling and forgetting behaviors are time-dependent. They were incorporated in an SIR-like rumor spreading model to investigate the effects to rumor spreading dynamics. Mean-field equations were derived, and the steady state analysis was conducted. Simulations were carried out on different complex networks. We demonstrated that the combination of the three variable diffusion behaviors provides a faster and larger spreading expansion capacity. Network structure matters considerably in rumor spreading dynamics. - Highlights: • We incorporate time-dependent diffusion behaviors into a SIR-like rumor spreading model. • The combination of the three variable diffusion behaviors provides a faster and larger spreading expansion capacity. • Network structure matters considerably in rumor spreading dynamics.

Study of diffusion processes in pumpkin particles during candied fruits production

Directory of Open Access Journals (Sweden)

V. Atamanyuk

2017-12-01

Full Text Available The production of candied fruits is a priority development area of the food industry. The basic process in candied fruits production is diffusion of sugar syrup into vegetable raw material. Kinetics of the diffusion processes depends on sucrose concentration, medium temperature, particles size and internal structure of the fruits.The experiments to determine the factors influencing the diffusion processes were carried out using the installation designed by the authors; the experimental dependences of sucrose concentration change in pumpkin candied fruits on time have been determined at temperatures of 20, 40, 60 and 80°C. Cell sizes and diameter of pores between the cells in raw and blanched pumpkin have been determined. This makes it possible to determine the internal porosity of the pumpkin particle, the value of which determines the coefficient of mass transfer.On the basis of the experiments we derived the dependence, allowing to determine the mass transfer coefficients for sucrose molecules in blanched pumpkin fruits within the temperatures corresponding to the quality of the finished product. The experimental studies and the chosen mathematical model allow us to calculate the change in sucrose concentration in the pumpkin fruits in time at different temperatures and to determine the time required for the candied fruits to reach the equilibrium concentration. Also, the coefficients not depending on temperature, but depending only on the shape of the particles being saturated with sugar syrup, have been determined using the kinetic model of diffusion processes. The obtained theoretical dependences are in good agreement with the experimental data and substantiate the expediency of the chosen temperature and concentration ranges. The designed installation, the obtained experimental and theoretical dependences, and the calculated coefficients allow to create an intensive sucrose diffusion process in pumpkin particles during pumpkin candied

On common noise-induced synchronization in complex networks with state-dependent noise diffusion processes

Science.gov (United States)

Russo, Giovanni; Shorten, Robert

2018-04-01

This paper is concerned with the study of common noise-induced synchronization phenomena in complex networks of diffusively coupled nonlinear systems. We consider the case where common noise propagation depends on the network state and, as a result, the noise diffusion process at the nodes depends on the state of the network. For such networks, we present an algebraic sufficient condition for the onset of synchronization, which depends on the network topology, the dynamics at the nodes, the coupling strength and the noise diffusion. Our result explicitly shows that certain noise diffusion processes can drive an unsynchronized network towards synchronization. In order to illustrate the effectiveness of our result, we consider two applications: collective decision processes and synchronization of chaotic systems. We explicitly show that, in the former application, a sufficiently large noise can drive a population towards a common decision, while, in the latter, we show how common noise can synchronize a network of Lorentz chaotic systems.

Diffusion coefficients for unattached decay products of thoron - dependence on ventilation and relative humidity

International Nuclear Information System (INIS)

Kotrappa, P.; Bhanti, D.P.; Raghunath, B.

1976-01-01

The results of a study of the diffusivity of unattached decay products of thoron with respect to air changes using a recently developed diffusion sampler are reported. The dependence of diffusivity of radon/thoron decay products on relative humidity has also been investigated by measurement of diffusion coefficients in an atmosphere where relative humidities varied from 5 to 90%. Results are shown tabulated. (U.K.)

assessment of concentration of air pollutants using analytical and numerical solution of the atmospheric diffusion equation

International Nuclear Information System (INIS)

Esmail, S.F.H.

2011-01-01

The mathematical formulation of numerous physical problems a results in differential equations actually partial or ordinary differential equations.In our study we are interested in solutions of partial differential equations.The aim of this work is to calculate the concentrations of the pollution, by solving the atmospheric diffusion equation(ADE) using different mathematical methods of solution. It is difficult to solve the general form of ADE analytically, so we use some assumptions to get its solution.The solutions of it depend on the eddy diffusivity profiles(k) and the wind speed u. We use some physical assumptions to simplify its formula and solve it. In the present work, we solve the ADE analytically in three dimensions using Green's function method, Laplace transform method, normal mode method and these separation of variables method. Also, we use ADM as a numerical method. Finally, comparisons are made with the results predicted by the previous methods and the observed data.

Water diffusion in phosphate-containing hydrogels

International Nuclear Information System (INIS)

George, K.A.; Wentrup-Byrne, E.; Hill, D.J.T.; Whittaker, A.K.

2003-01-01

An understanding of the kinetics and diffusion of liquids through polymeric hydrogels is critical for the successful design and application of these materials in biomedical field, particularly as controlled drug delivery systems. In this study, the mechanisms of water transport and parameters that describe the diffusion process in crosslinked poly(2-hydroxyethylmethacrylate-co-methyloxyethylene phosphate), poly(HEMA-co-MOEP) polymers were investigated. The copolymerisation of HEMA with MOEP was initiated by γ radiolysis with full conversion of monomer to polymer. The sorption of water into the polymers with 0 - 30 mol% MOEP was monitored gravimetrically over a period of 2 - 3 weeks. This study provided an insight into the diffusion mechanism and showed that the PHEMA hydrogel displayed concentration-independent Fickian diffusion. As the concentration of MOEP in the network increased, the diffusion rate and the rigidity of the network also increased in a linear fashion. NMR imaging was used in conjunction with the gravimetric study to elucidate the transport mechanisms, diffusion coefficients and proportionality constants governing the water diffusion in the phosphate-containing polymers. The hydrogels with 3 - 20 mol% MOEP exhibited exponential concentration-dependent Fickian diffusion and the transport mechanism in the system with 30 mol% MOEP was shown to be anomalous. The systems with greater concentrations of MOEP displayed a high degree of fracturing during water sorption and resulted in the ultimate destruction of the cylindrical geometry

First-Order Hyperbolic System Method for Time-Dependent Advection-Diffusion Problems

Science.gov (United States)

2014-03-01

accuracy, with rapid convergence over each physical time step, typically less than five Newton iter - ations. 1 Contents 1 Introduction 3 2 Hyperbolic...however, we employ the Gauss - Seidel (GS) relaxation, which is also an O(N) method for the discretization arising from hyperbolic advection-diffusion system...advection-diffusion scheme. The linear dependency of the iterations on Table 1: Boundary layer problem ( Convergence criteria: Residuals < 10−8.) log10Re

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

Science.gov (United States)

Kochukhov, O.; Ryabchikova, T. A.

2018-02-01

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

Application of numerical inverse method in calculation of composition-dependent interdiffusion coefficients in finite diffusion couples

DEFF Research Database (Denmark)

Liu, Yuanrong; Chen, Weimin; Zhong, Jing

2017-01-01

The previously developed numerical inverse method was applied to determine the composition-dependent interdiffusion coefficients in single-phase finite diffusion couples. The numerical inverse method was first validated in a fictitious binary finite diffusion couple by pre-assuming four standard...... sets of interdiffusion coefficients. After that, the numerical inverse method was then adopted in a ternary Al-Cu-Ni finite diffusion couple. Based on the measured composition profiles, the ternary interdiffusion coefficients along the entire diffusion path of the target ternary diffusion couple were...... obtained by using the numerical inverse approach. The comprehensive comparisons between the computations and the experiments indicate that the numerical inverse method is also applicable to high-throughput determination of the composition-dependent interdiffusion coefficients in finite diffusion couples....

Multicomponent diffusion in molten salt NaF-ZrF{sub 4}: Dynamical correlations and Maxwell–Stefan diffusivities

Energy Technology Data Exchange (ETDEWEB)

Baig, Mohammad Saad, E-mail: saad110baig@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India)

2016-05-23

NaF-ZrF{sub 4} is used as a waste incinerator and as a coolant in Generation IV reactors.Structural and dynamical properties of molten NaF-ZrF{sub 4} system were studied along with Onsagercoefficients and Maxwell–Stefan (MS) Diffusivities applying Green–Kubo formalism and molecular dynamics (MD) simulations. The zirconium ions are found to be 8 fold coordinated with fluoride ions for all temperatures and concentrations. All the diffusive flux correlations show back-scattering. Even though the MS diffusivities are expected to depend very lightly on the composition because of decoupling of thermodynamic factor, the diffusivity Đ{sub Na-F} shows interesting behavior with the increase in concentration of ZrF{sub 4}. This is because of network formation in NaF-ZrF{sub 4}. Positive entropy constraints have been plotted to authenticate negative diffusivities observed.

Continuous Dependence in Front Propagation for Convective Reaction-Diffusion Models with Aggregative Movements

Directory of Open Access Journals (Sweden)

Luisa Malaguti

2011-01-01

Full Text Available The paper deals with a degenerate reaction-diffusion equation, including aggregative movements and convective terms. The model also incorporates a real parameter causing the change from a purely diffusive to a diffusive-aggregative and to a purely aggregative regime. Existence and qualitative properties of traveling wave solutions are investigated, and estimates of their threshold speeds are furnished. Further, the continuous dependence of the threshold wave speed and of the wave profiles on a real parameter is studied, both when the process maintains its diffusion-aggregation nature and when it switches from it to another regime.

Molecular Binding Contributes to Concentration Dependent Acrolein Deposition in Rat Upper Airways: CFD and Molecular Dynamics Analyses

Directory of Open Access Journals (Sweden)

Jinxiang Xi

2018-03-01

Full Text Available Existing in vivo experiments show significantly decreased acrolein uptake in rats with increasing inhaled acrolein concentrations. Considering that high-polarity chemicals are prone to bond with each other, it is hypothesized that molecular binding between acrolein and water will contribute to the experimentally observed deposition decrease by decreasing the effective diffusivity. The objective of this study is to quantify the probability of molecular binding for acrolein, as well as its effects on acrolein deposition, using multiscale simulations. An image-based rat airway geometry was used to predict the transport and deposition of acrolein using the chemical species model. The low Reynolds number turbulence model was used to simulate the airflows. Molecular dynamic (MD simulations were used to study the molecular binding of acrolein in different media and at different acrolein concentrations. MD results show that significant molecular binding can happen between acrolein and water molecules in human and rat airways. With 72 acrolein embedded in 800 water molecules, about 48% of acrolein compounds contain one hydrogen bond and 10% contain two hydrogen bonds, which agreed favorably with previous MD results. The percentage of hydrogen-bonded acrolein compounds is higher at higher acrolein concentrations or in a medium with higher polarity. Computational dosimetry results show that the size increase caused by the molecular binding reduces the effective diffusivity of acrolein and lowers the chemical deposition onto the airway surfaces. This result is consistent with the experimentally observed deposition decrease at higher concentrations. However, this size increase can only explain part of the concentration-dependent variation of the acrolein uptake and acts as a concurrent mechanism with the uptake-limiting tissue ration rate. Intermolecular interactions and associated variation in diffusivity should be considered in future dosimetry modeling of

Molecular Binding Contributes to Concentration Dependent Acrolein Deposition in Rat Upper Airways: CFD and Molecular Dynamics Analyses.

Science.gov (United States)

Xi, Jinxiang; Hu, Qin; Zhao, Linlin; Si, Xiuhua April

2018-03-27

Existing in vivo experiments show significantly decreased acrolein uptake in rats with increasing inhaled acrolein concentrations. Considering that high-polarity chemicals are prone to bond with each other, it is hypothesized that molecular binding between acrolein and water will contribute to the experimentally observed deposition decrease by decreasing the effective diffusivity. The objective of this study is to quantify the probability of molecular binding for acrolein, as well as its effects on acrolein deposition, using multiscale simulations. An image-based rat airway geometry was used to predict the transport and deposition of acrolein using the chemical species model. The low Reynolds number turbulence model was used to simulate the airflows. Molecular dynamic (MD) simulations were used to study the molecular binding of acrolein in different media and at different acrolein concentrations. MD results show that significant molecular binding can happen between acrolein and water molecules in human and rat airways. With 72 acrolein embedded in 800 water molecules, about 48% of acrolein compounds contain one hydrogen bond and 10% contain two hydrogen bonds, which agreed favorably with previous MD results. The percentage of hydrogen-bonded acrolein compounds is higher at higher acrolein concentrations or in a medium with higher polarity. Computational dosimetry results show that the size increase caused by the molecular binding reduces the effective diffusivity of acrolein and lowers the chemical deposition onto the airway surfaces. This result is consistent with the experimentally observed deposition decrease at higher concentrations. However, this size increase can only explain part of the concentration-dependent variation of the acrolein uptake and acts as a concurrent mechanism with the uptake-limiting tissue ration rate. Intermolecular interactions and associated variation in diffusivity should be considered in future dosimetry modeling of high

Transient diffusion from a waste solid into fractured porous rock

International Nuclear Information System (INIS)

Ahn, J.; Chambre, P.L.; Pigford, T.H.

1988-01-01

Previous analytical studies of the advective transport of dissolved contaminants through fractured rock have emphasized the effect of molecular diffusion in the rock matrix in affecting the space-time-dependent concentration of the contaminant as it moves along the fracture. Matrix diffusion only in the direction normal to the fracture surface was assumed. Contaminant sources were constant-concentration surfaces of width equal to the fracture aperture and of finite or infinite extent in the transverse direction. Such studies illustrate the far-field transport features of fractured media. To predict the time-dependent mass transfer from a long waste cylinder surrounded by porous rock and intersected by a fracture, the present study includes diffusion from the waste surface directly into porous rock, as well as the more realistic geometry. Here the authors present numerical results from Chambre's analytical solution for the time-dependent mass transfer from the cylinder for the low-flow conditions wherein near-field mass transfer is expected to be controlled by molecular diffusion

On Polarization and Frequency Dependence of Diffuse Indoor Propagation

DEFF Research Database (Denmark)

Nielsen, Jesper Ødum; Andersen, Jørgen Bach; Pedersen, Gert Frølund

2011-01-01

The room electromagnetics (RE) theory describes the radio propagation in a single room assuming diffuse scat- tering. A main characteristic is the exponential power-delay profile (PDP) decaying with the so-called reverberation time (RT) parameter, depending only on the wall area, the volume...... of the room and an absorption coefficient. The PDP is independent on the location in the room, except for the arrival time. Based on measurements in a room with a spherical array of 16 dual- polarized wideband horn antennas, the current work studies how the RE parameters depend on the receiver (Rx) antenna...

Volatile diffusion in silicate melts and its effects on melt inclusions

Directory of Open Access Journals (Sweden)

P. Scarlato

2005-06-01

Full Text Available A compendium of diffusion measurements and their Arrhenius equations for water, carbon dioxide, sulfur, fluorine, and chlorine in silicate melts similar in composition to natural igneous rocks is presented. Water diffusion in silicic melts is well studied and understood, however little data exists for melts of intermediate to basic compositions. The data demonstrate that both the water concentration and the anhydrous melt composition affect the diffusion coefficient of water. Carbon dioxide diffusion appears only weakly dependent, at most, on the volatilefree melt composition and no effect of carbon dioxide concentration has been observed, although few experiments have been performed. Based upon one study, the addition of water to rhyolitic melts increases carbon dioxide diffusion by orders of magnitude to values similar to that of 6 wt% water. Sulfur diffusion in intermediate to silicic melts depends upon the anhydrous melt composition and the water concentration. In water-bearing silicic melts sulfur diffuses 2 to 3 orders of magnitude slower than water. Chlorine diffusion is affected by both water concentration and anhydrous melt composition; its values are typically between those of water and sulfur. Information on fluorine diffusion is rare, but the volatile-free melt composition exerts a strong control on its diffusion. At the present time the diffusion of water, carbon dioxide, sulfur and chlorine can be estimated in silicic melts at magmatic temperatures. The diffusion of water and carbon dioxide in basic to intermediate melts is only known at a limited set of temperatures and compositions. The diffusion data for rhyolitic melts at 800°C together with a standard model for the enrichment of incompatible elements in front of growing crystals demonstrate that rapid crystal growth, greater than 10-10 ms-1, can significantly increase the volatile concentrations at the crystal-melt interface and that any of that melt trapped

Memory Effects and Coverage Dependence of Surface Diffusion in a Model Adsorption System

DEFF Research Database (Denmark)

Vattulainen, Ilpo Tapio; Ying, S. C.; Ala-Nissila, T.

1999-01-01

in tracer and collective diffusion. We show that memory effects can be very pronounced deep inside the ordered phases and in regions close to first and second order phase transition boundaries. Particular attention is paid to the details of the time dependence of memory effects. The memory effect in tracer......We study the coverage dependence of surface diffusion coefficients for a strongly interacting adsorption system O/W(110) via Monte Carlo simulations of a lattice-gas model. In particular, we consider the nature and emergence of memory effects as contained in the corresponding correlation factors...... diffusion is found to decay following a power law after an initial transient period. This behavior persists until the hydrodynamic regime is reached, after which the memory effect decays exponentially. The time required to reach the hydrodynamical regime and the related exponential decay is strongly...

Experimental Determination of Drug Diffusion Coefficients in Unstirred Aqueous Environments by Temporally Resolved Concentration Measurements

DEFF Research Database (Denmark)

Di Cagno, Massimiliano Pio; Clarelli, Fabrizio; Vabenø, Jon

2018-01-01

or the need for dedicated instrumentation. In this work, a simple but reliable method based on time resolved concentration measurements by UV-visible spectroscopy in an unstirred aqueous environment was developed. This method is based on spectroscopic measurement of the variation of the local concentration...... characteristics (i.e. ionic strength and presence of complexing agents) on the diffusivity. The method can be employed in any research laboratory equipped with a standard UV-visible spectrophotometer, and could become a useful and straightforward tool in order to characterize diffusion coefficients...

Soil atmosphere exchange of carbonyl sulfide (COS regulated by diffusivity depending on water-filled pore space

Directory of Open Access Journals (Sweden)

H. Van Diest

2008-04-01

Full Text Available The exchange of carbonyl sulfide (COS between soil and the atmosphere was investigated for three arable soils from Germany, China and Finland and one forest soil from Siberia for parameterization in the relation to ambient carbonyl sulfide (COS concentration, soil water content (WC and air temperature. All investigated soils acted as sinks for COS. A clear and distinct uptake optimum was found for the German, Chinese, Finnish and Siberian soils at 11.5%, 9%, 11.5%, and 9% soil WC, respectively, indicating that the soil WC acts as an important biological and physical parameter for characterizing the exchange of COS between soils and the atmosphere. Different optima of deposition velocities (V_d as observed for the Chinese, Finnish and Siberian boreal soil types in relation to their soil WC, aligned at 19% in relation to the water-filled pore space (WFPS, indicating the dominating role of gas diffusion. This interpretation was supported by the linear correlation between V_d and bulk density. We suggest that the uptake of COS depends on the diffusivity dominated by WFPS, a parameter depending on soil WC, soil structure and porosity of the soil.

Radon progeny distribution in cylindrical diffusion chambers

International Nuclear Information System (INIS)

Pressyanov, Dobromir S.

2008-01-01

An algorithm to model the diffusion of radioactive decay chain atoms is presented. Exact mathematical solutions in cylindrical geometry are given. They are used to obtain expressions for the concentrations of 222 Rn progeny atoms in the volume and deposited on the wall surface in cylindrical diffusion chambers. The dependence of volume fractions of 222 Rn progeny and chamber sensitivity on the coefficient of diffusion of 222 Rn progeny atoms in air is modeled.

An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

Directory of Open Access Journals (Sweden)

Kehua Zhong

2017-07-01

Full Text Available The Li+ diffusion coefficients in Li+-adsorbed graphene systems were determined by combining first-principle calculations based on density functional theory with Kinetic Monte Carlo simulations. The calculated results indicate that the interactions between Li ions have a very important influence on lithium diffusion. Based on energy barriers directly obtained from first-principle calculations for single-Li+ and two-Li+ adsorbed systems, a new equation predicting energy barriers with more than two Li ions was deduced. Furthermore, it is found that the temperature dependence of Li+ diffusion coefficients fits well to the Arrhenius equation, rather than meeting the equation from electrochemical impedance spectroscopy applied to estimate experimental diffusion coefficients. Moreover, the calculated results also reveal that Li+ concentration dependence of diffusion coefficients roughly fits to the equation from electrochemical impedance spectroscopy in a low concentration region; however, it seriously deviates from the equation in a high concentration region. So, the equation from electrochemical impedance spectroscopy technique could not be simply used to estimate the Li+ diffusion coefficient for all Li+-adsorbed graphene systems with various Li+ concentrations. Our work suggests that interactions between Li ions, and among Li ion and host atoms will influence the Li+ diffusion, which determines that the Li+ intercalation dependence of Li+ diffusion coefficient should be changed and complex.

Enhanced diffusion with abnormal temperature dependence in underdamped space-periodic systems subject to time-periodic driving

Science.gov (United States)

Marchenko, I. G.; Marchenko, I. I.; Zhiglo, A. V.

2018-01-01

We present a study of the diffusion enhancement of underdamped Brownian particles in a one-dimensional symmetric space-periodic potential due to external symmetric time-periodic driving with zero mean. We show that the diffusivity can be enhanced by many orders of magnitude at an appropriate choice of the driving amplitude and frequency. The diffusivity demonstrates abnormal (decreasing) temperature dependence at the driving amplitudes exceeding a certain value. At any fixed driving frequency Ω normal temperature dependence of the diffusivity is restored at low enough temperatures, T oscillation frequency at the potential minimum, the diffusivity is shown to decrease with Ω according to a power law, with the exponent related to the transient superdiffusion exponent. This behavior is found similar for the cases of sinusoidal in time and piecewise constant periodic ("square") driving.

Counterion self-diffusion in polyelectrolyte solutions

Science.gov (United States)

Schipper, F. J. M.; Hollander, J. G.; Leyte, J. C.

1997-12-01

The self-diffusion coefficient of 0953-8984/9/50/019/img1, tetra-methylammonium 0953-8984/9/50/019/img2, tetra-ethylammonium 0953-8984/9/50/019/img3, tetra-propylammonium 0953-8984/9/50/019/img4 and tetra-butylammonium 0953-8984/9/50/019/img5 in solutions of the weak polymethacrylic acid (PMA) were measured with PFG NMR. No additional salt was present in any of the experiments. The polyion concentration and degree of neutralization were varied. The maximum relative counterion self-diffusion coefficient against polyion concentration, that was reported earlier, was observed for both alkali and tetra-alkylammonium 0953-8984/9/50/019/img6 counterions. We propose that the maximum is due to the combination of the obstruction by the polyion and the changing counterion distribution at increasing polyion concentration. An explanation of this proposal is offered in terms of the Poisson - Boltzmann - Smoluchowski (PBS) model for polyelectrolytes. Qualitative agreement of this model with experiment was found for the dependence of the counterion self-diffusion coefficient on the degree of neutralization of the polyion, on counterion radius and on polyion concentration, over a concentration range from 0.01 to 1 0953-8984/9/50/019/img7. Adaption of the theoretical obstruction, to fit the self-diffusion data of the solvent, also greatly improves the model predictions on the counterion self-diffusion.

Contribution to the study of solid state diffusion in concentrated alloys - A case study of the Fe - Pd system

International Nuclear Information System (INIS)

Gomez Jaen, Juan Pedro

1973-01-01

The study of diffusion in concentrated alloys presents two main aspects: 1) The search for an adequate theoretical framework; 2) The carrying out of experiments with a view towards verification of the theory. From the theoretical standpoint it is shown that the atomic theory of diffusion, as formulated by MANNING, can be linked to the phenomenological theory of HOWARD and LIDIARD. Thus it is seen that the vacancy flow effect is really a cross correlation effect and, that the phenomenological ONSAGER coefficients can be expressed as functions of the correlation factors. From the experimental side, a number of experiments were performed on the Fe - Pd System, including experiments on interdiffusion, the KIRKENDALL effect, diffusion of Fe 59 and Pd 103 isotopes in homogeneous Fe - Pd alloys, and the diffusion of these isotopes in the concentration gradient. We introduce a perfected method for taking account of the changes in the molar volume of the alloy expressed as a function of the concentration, throughout the diffusion process. The experiments enabled us to obtain the different diffusion coefficients, correlation factors, and partial mobilities, thus allowing a precise knowledge of the Fe - Pd solid state diffusion system.(author) [fr

A new model of anomalous phosphorus diffusion in silicon

International Nuclear Information System (INIS)

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

1989-01-01

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

Evaluation of thermal conductivity for liquid lead lithium alloys at various Li concentrations based on measurement and evaluation of density, thermal diffusivity and specific heat of alloys

Energy Technology Data Exchange (ETDEWEB)

Kondo, Masatoshi, E-mail: kondo.masatoshi@nr.titech.ac.jp [Tokyo Institute of Technology, 2-12-1, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8550 (Japan); Nakajima, Yuu; Tsuji, Mitsuyo [Tokai University, 4-1-1 Kitakaname, Hiratsuka-shi, Kanagawa 259-1292 (Japan); Nozawa, Takashi [Japan Atomic Energy Agency, Rokkasyo-mura, Kamikita-gun, Aomori 039-3212 (Japan)

2016-11-01

the Pb–17Li at the temperature of 773 K was newly obtained and expressed in the equation as λ [W/mK] = 4.47 × 10{sup −2}χ{sub Li}{sup 2} − 0.08χ{sub Li} + 14.9. The dependence of Li concentration on the thermal diffusivities of the alloys was larger at higher temperature. The temperature dependence of the thermal conductivities of the alloys was larger when the Li concentration in the alloys was higher.

Simultaneous inversion for the space-dependent diffusion coefficient and the fractional order in the time-fractional diffusion equation

International Nuclear Information System (INIS)

Li, Gongsheng; Zhang, Dali; Jia, Xianzheng; Yamamoto, Masahiro

2013-01-01

This paper deals with an inverse problem of simultaneously identifying the space-dependent diffusion coefficient and the fractional order in the 1D time-fractional diffusion equation with smooth initial functions by using boundary measurements. The uniqueness results for the inverse problem are proved on the basis of the inverse eigenvalue problem, and the Lipschitz continuity of the solution operator is established. A modified optimal perturbation algorithm with a regularization parameter chosen by a sigmoid-type function is put forward for the discretization of the minimization problem. Numerical inversions are performed for the diffusion coefficient taking on different functional forms and the additional data having random noise. Several factors which have important influences on the realization of the algorithm are discussed, including the approximate space of the diffusion coefficient, the regularization parameter and the initial iteration. The inversion solutions are good approximations to the exact solutions with stability and adaptivity demonstrating that the optimal perturbation algorithm with the sigmoid-type regularization parameter is efficient for the simultaneous inversion. (paper)

Axial dispersion via shear-enhanced diffusion in colloidal suspensions

KAUST Repository

Griffiths, I. M.

2012-03-01

The familiar example of Taylor dispersion of molecular solutes is extended to describe colloidal suspensions, where the fluctuations that contribute to dispersion arise from hydrodynamic interactions. The generic scheme is illustrated for a suspension of particles in a pressure-driven pipe flow, with a concentration-dependent diffusivity that captures both the shear-induced and Brownian contributions. The effect of the cross-stream migration via shear-induced diffusion is shown to dramatically reduce the axial dispersion predicted by classical Taylor dispersion for a molecular solute. Analytic and numerical solutions are presented that illustrate the effect of the concentration dependence of this nonlinear hydrodynamic mechanism. Copyright © EPLA, 2012.

Introduction of high oxygen concentrations into silicon wafers by high-temperature diffusion

International Nuclear Information System (INIS)

Casse, G.; Glaser, M.; Lemeilleur, F.; Ruzin, A.; Wegrzecki, M.

1999-01-01

The tolerance of silicon detectors to hadron irradiation can be improved by the introduction of a high concentration of oxygen into the starting material. High-resistivity Floating-Zone (FZ) silicon is required for detectors used in particle physics applications. A significantly high oxygen concentration (>10 17 atoms cm -3 ) cannot readily be achieved during the FZ silicon refinement. The diffusion of oxygen at elevated temperatures from a SiO 2 layer grown on both sides of a silicon wafer is a simple and effective technique to achieve high and uniform concentrations of oxygen throughout the bulk of a 300 μm thick silicon wafer

Quantum diffusion of light interstitials in metals

International Nuclear Information System (INIS)

McMullen, T.; Bergersen, B.

1978-01-01

A quantum theory of diffusion of self-trapped light interstitials in metals is presented. The theory encompasses both coherent and incoherent tunneling, but the approximation used neglects the dependence of the interstitial transfer matrix element on the vibrational state of the crystal. The coherent tunneling contribution is estimated by fitting the incoherent diffusion rate to experimental data for hydrogen and muon diffusion. It is predicted that coherent diffusion should be dominant below approximately 80 K for H in Nb and below approximately 190 K for μ + in Cu. Experimental verifications of these predictions would require high purity strain free samples and low concentrations of the diffusing species. (author)

Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

Energy Technology Data Exchange (ETDEWEB)

Cai, Danyun; Mo, Yunjie [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics and Information Technology, Sun Yat-sen University, Guangzhou, 510275 (China); Feng, Xiaofang [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-sen University, Guangzhou, 510275 (China); He, Yingyou [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics and Information Technology, Sun Yat-sen University, Guangzhou, 510275 (China); Jiang, Shaoji, E-mail: stsjsj@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-sen University, Guangzhou, 510275 (China)

2017-06-01

Highlights: • The model of combinations of nearest-neighbor atoms of adatom was built to calculate the diffusion barrier of every configuration for Ag/Ag(001). • The complete potential energy curve of a specific diffusion path on the surface was worked out with the help of elementary diffusion behaviors. • The non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) was demonstrated. • A theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature was presented. - Abstract: In this study, a model based on the First Principles calculations and Kinetic Monte Carlo simulation were established to study the growth characteristic of Ag thin film at low substrate temperature. On the basis of the interaction between the adatom and nearest-neighbor atoms, some simplifications and assumptions were made to categorize the diffusion behaviors of Ag adatoms on Ag(001). Then the barriers of all possible diffusion behaviors were calculated using the Climbing Image Nudged Elastic Band method (CI-NEB). Based on the Arrhenius formula, the morphology variation, which is attributed to the surface diffusion behaviors during the growth, was simulated with a temperature-dependent KMC model. With this model, a non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) were discovered. The analysis of the temperature dependence on diffusion behaviors presents a theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature.

Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

International Nuclear Information System (INIS)

Cai, Danyun; Mo, Yunjie; Feng, Xiaofang; He, Yingyou; Jiang, Shaoji

2017-01-01

Highlights: • The model of combinations of nearest-neighbor atoms of adatom was built to calculate the diffusion barrier of every configuration for Ag/Ag(001). • The complete potential energy curve of a specific diffusion path on the surface was worked out with the help of elementary diffusion behaviors. • The non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) was demonstrated. • A theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature was presented. - Abstract: In this study, a model based on the First Principles calculations and Kinetic Monte Carlo simulation were established to study the growth characteristic of Ag thin film at low substrate temperature. On the basis of the interaction between the adatom and nearest-neighbor atoms, some simplifications and assumptions were made to categorize the diffusion behaviors of Ag adatoms on Ag(001). Then the barriers of all possible diffusion behaviors were calculated using the Climbing Image Nudged Elastic Band method (CI-NEB). Based on the Arrhenius formula, the morphology variation, which is attributed to the surface diffusion behaviors during the growth, was simulated with a temperature-dependent KMC model. With this model, a non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) were discovered. The analysis of the temperature dependence on diffusion behaviors presents a theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature.

Magnetic orientation of nontronite clay in aqueous dispersions and its effect on water diffusion.

Science.gov (United States)

Abrahamsson, Christoffer; Nordstierna, Lars; Nordin, Matias; Dvinskikh, Sergey V; Nydén, Magnus

2015-01-01

The diffusion rate of water in dilute clay dispersions depends on particle concentration, size, shape, aggregation and water-particle interactions. As nontronite clay particles magnetically align parallel to the magnetic field, directional self-diffusion anisotropy can be created within such dispersion. Here we study water diffusion in exfoliated nontronite clay dispersions by diffusion NMR and time-dependant 1H-NMR-imaging profiles. The dispersion clay concentration was varied between 0.3 and 0.7 vol%. After magnetic alignment of the clay particles in these dispersions a maximum difference of 20% was measured between the parallel and perpendicular self-diffusion coefficients in the dispersion with 0.7 vol% clay. A method was developed to measure water diffusion within the dispersion in the absence of a magnetic field (random clay orientation) as this is not possible with standard diffusion NMR. However, no significant difference in self-diffusion coefficient between random and aligned dispersions could be observed. Copyright © 2014 Elsevier Inc. All rights reserved.

Distance-dependent diffusion-controlled reaction of •NO and O2•- at chemical equilibrium with ONOO-.

Science.gov (United States)

Botti, Horacio; Möller, Matías N; Steinmann, Daniel; Nauser, Thomas; Koppenol, Willem H; Denicola, Ana; Radi, Rafael

2010-12-16

The fast reaction of (•)NO and O(2)(•-) to give ONOO(-) has been extensively studied at irreversible conditions, but the reasons for the wide variations in observed forward rate constants (3.8 ≤ k(f) ≤ 20 × 10(9) M(-1) s(-1)) remain unexplained. We characterized the diffusion-dependent aqueous (pH > 12) chemical equilibrium of the form (•)NO + O(2)(•-) = ONOO(-) with respect to its dependence on temperature, viscosity, and [ONOO(-)](eq) by determining [ONOO(-)](eq) and [(•)NO](eq). The equilibrium forward reaction rate constant (k(f)(eq)) has negative activation energy, in contrast to that found under irreversible conditions. In contradiction to the law of mass action, we demonstrate that the equilibrium constant depends on ONOO(-) concentration. Therefore, a wide range of k(f)(eq) values could be derived (7.5-21 × 10(9) M(-1) s(-1)). Of general interest, the variations in k(f) can thus be explained by its dependence on the distance between ONOO(-) particles (sites of generation of (•)NO and O(2)(•-)).

Concentration and temperature dependence of short-range order in Ni-Ta solid solution using X-ray diffraction method

International Nuclear Information System (INIS)

Khwaja, F.A.; Alam, A.

1980-09-01

Diffuse X-ray scattering investigations about the existence of short-range order (SRO) have been carried out in the Ni-Ta system for different concentrations and annealing temperatures. It is observed that the values of the SRO parameters for the first co-ordination shell have anomalously large negative values for all the samples studied. These values of the α 1 depend upon the annealing temperatures and the concentration of Ta atoms in the Ni-Ta system. The results of the theoretical predictions of the ordering potential obtained using the formulae of the electronic theory of SRO, confirm the existence of very strong attractive correlation between the atoms of the different species in this system. (author)

Pore and surface diffusion in multicomponent adsorption and liquid chromatography systems

International Nuclear Information System (INIS)

Ma, Z.; Whitley, R.D.; Wang, N.H.L.

1996-01-01

A generalized parallel pore and surface diffusion model for multicomponent adsorption and liquid chromatography is formulated and solved numerically. Analytical solution for first- and second-order central moments for a pulse on a plateau input is used as benchmarks for the numerical solutions. Theoretical predictions are compared with experimental data for two systems: ion-exchange of strontium, sodium, and calcium in a zeolite and competitive adsorption of two organics on activated carbon. In a linear isotherm region of single-component systems, both surface and pore diffusion cause symmetric spreading in breakthrough curves. In a highly nonlinear isotherm region, however, surface diffusion causes pronounced tailing in breakthrough curves; the larger the step change in concentration, the more pronounced tailing, in contrast to relatively symmetric breakthroughs due to pore diffusion. If only a single diffusion mechanism is assumed in analyzing the data of parallel diffusion systems, a concentration-dependent apparent surface diffusivity or pore diffusivity results; for a convex isotherm, the apparent surface diffusivity increases, whereas the apparent pore diffusivity decreases with increasing concentration. For a multicomponent nonlinear system, elution order can change if pore diffusion dominates for a low-affinity solute, whereas surface diffusion dominates for a high-affinity solute

Mesoscopic dynamics of diffusion-influenced enzyme kinetics.

Science.gov (United States)

Chen, Jiang-Xing; Kapral, Raymond

2011-01-28

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t(-1/2) and t(-3/2) power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.

Mesoscopic dynamics of diffusion-influenced enzyme kinetics

Science.gov (United States)

Chen, Jiang-Xing; Kapral, Raymond

2011-01-01

A particle-based mesoscopic model for enzyme kinetics is constructed and used to investigate the influence of diffusion on the reactive dynamics. Enzymes and enzyme-substrate complexes are modeled as finite-size soft spherical particles, while substrate, product, and solvent molecules are point particles. The system is evolved using a hybrid molecular dynamics-multiparticle collision dynamics scheme. Both the nonreactive and reactive dynamics are constructed to satisfy mass, momentum, and energy conservation laws, and reversible reaction steps satisfy detailed balance. Hydrodynamic interactions among the enzymes and complexes are automatically accounted for in the dynamics. Diffusion manifests itself in various ways, notably in power-law behavior in the evolution of the species concentrations. In accord with earlier investigations, regimes where the product production rate exhibits either monotonic or nonmonotonic behavior as a function of time are found. In addition, the species concentrations display both t^{-1/2} and t^{-3/2} power-law behavior, depending on the dynamical regime under investigation. For high enzyme volume fractions, cooperative effects influence the enzyme kinetics. The time dependent rate coefficient determined from the mass action rate law is computed and shown to depend on the enzyme concentration. Lifetime distributions of substrate molecules newly released in complex dissociation events are determined and shown to have either a power-law form for rebinding to the same enzyme from which they were released or an exponential form for rebinding to different enzymes. The model can be used and extended to explore a variety of issues related concentration effects and diffusion on enzyme kinetics.

A sphingolipid-dependent diffusion barrier confines ER stress to the yeast mother cell

Science.gov (United States)

Clay, Lori; Caudron, Fabrice; Denoth-Lippuner, Annina; Boettcher, Barbara; Buvelot Frei, Stéphanie; Snapp, Erik Lee; Barral, Yves

2014-01-01

In many cell types, lateral diffusion barriers compartmentalize the plasma membrane and, at least in budding yeast, the endoplasmic reticulum (ER). However, the molecular nature of these barriers, their mode of action and their cellular functions are unclear. Here, we show that misfolded proteins of the ER remain confined into the mother compartment of budding yeast cells. Confinement required the formation of a lateral diffusion barrier in the form of a distinct domain of the ER-membrane at the bud neck, in a septin-, Bud1 GTPase- and sphingolipid-dependent manner. The sphingolipids, but not Bud1, also contributed to barrier formation in the outer membrane of the dividing nucleus. Barrier-dependent confinement of ER stress into the mother cell promoted aging. Together, our data clarify the physical nature of lateral diffusion barriers in the ER and establish the role of such barriers in the asymmetric segregation of proteotoxic misfolded proteins during cell division and aging. DOI: http://dx.doi.org/10.7554/eLife.01883.001 PMID:24843009

Gas diffusion and temperature dependence of bubble nucleation during irradiation

DEFF Research Database (Denmark)

Foreman, A. J. E.; Singh, Bachu Narain

1986-01-01

The continuous production of gases at relatively high rates under fusion irradiation conditions may enhance the nucleation of cavities. This can cause dimensional changes and could induce embrittlement arising from gas accumulation on grain boundaries. Computer calculations have been made...... of the diatomic nucleation of helium bubbles, assuming helium to diffuse substitutionally, with radiation-enhanced diffusion at lower temperatures. The calculated temperature dependence of the bubble density shows excellent agreement with that observed in 600 MeV proton irradiations, including a reduction...... in activation energy below Tm/2. The coalescence of diatomic nuclei due to Brownian motion markedly improves the agreement and also provides a well-defined terminal density. Bubble nucleation by this mechanism is sufficiently fast to inhibit any appreciable initial loss of gas to grain boundaries during...

Effect of dry density and salinity on Cl- diffusion of compacted Na-montmorillonite

International Nuclear Information System (INIS)

Goto, T.; Gorai, M.; Kozaki, T.; Sato, S.

2010-01-01

Document available in extended abstract form only. Compacted bentonite is candidate buffer material in geological disposal of high-level radioactive waste (HLW). One of the expected functions of the buffer is to retard the migration of radionuclides from waste form to biosphere. Due to low hydraulic conductivity of the compacted bentonite, diffusion is considered to be predominant process in radionuclide migrations. Therefore, it is important for safety assessment of the geological disposal to clarify the diffusion behavior of radionuclides in montmorillonite, which is a major clay mineral of bentonite. However, detail diffusion mechanism has not been fully understood especially for the compacted bentonite saturated with groundwater having relatively high salt concentration. In this study, apparent diffusion coefficient (D a [m 2 s -1 ]) of Cl- ions was determined by one-dimensional, non-steady diffusion method for Na-montmorillonite saturated with NaCl solutions with different concentrations. Activation energy for Cl - diffusion (E a [kJ mol -1 ]) was also obtained from the temperature dependence of Da at each NaCl concentration. Based on these experimental results together with the basal spacing of the montmorillonite determined by XRD measurements, the diffusion mechanism of Cl - ions was discussed. The montmorillonite used in this study was Kunipia-F, a commercial product of Kunimine Industries Co. Ltd., Japan. The montmorillonite sample was homo-ionized into Na-type before use. The Na-montmorillonite was compacted into an acrylic resin cell (20 mm in diameter, 20 mm in height for diffusion experiment or 10 mm in height for XRD measurement) and fully saturated with NaCl solutions of concentration from 0 to 0.5 M. The dry densities of the Na-montmorillonite were 1.0 and 1.3 Mg m -3 for diffusion experiments, and from 0.7 to 1.4 Mg m -3 for the XRD measurements. The apparent diffusion coefficients of 36 Cl - ions in the solution-saturated, compacted

Spin Diffusion and Spin Lattice Relaxation of Dipolar Order in Solids Containing Paramagnetic Impurities

International Nuclear Information System (INIS)

Furman, G.B.; Panich, A.M.; Goren, S.D.

1998-01-01

The phenomena of spin diffusion and spin lattice relaxation of nuclear dipolar order in solids containing paramagnetic impurities (PI) is considered. We show that at the beginning of the relaxation process the diffusion vanishing regime realizes with non-exponential time dependence, R(t) ∼ exp [- (t/T 1d ) α ], where T 1d ∼ C p -1/α , C p is PI's concentration. For a homogeneous distribution of Pis and nuclear spins, α=Q/6, where Q is the sample dimensionality; for an inhomogeneous distribution, the sample is divided into q-dimensional subsystems, each containing one PI, yield- ing α= (Q + q) /6. This result coincides with experimental data for CaF 2 doped with 0.8 - 10 -3 ωt % of Mn 2+ , where the non-exponential decay of the dipolar signal with α= 0.83 has been observed [3]. Fitting the experimental data yields a good agreement with T 1d = 66 ms . For another independent check of the obtained results we use dependence of the relaxation time on impurities concentration. In accordance that 1/α=1.2 , we have T 1d ∼ C p -1 '. 2 . Exactly this dependence on impurity concentration of the relaxation time has been found in the experiment. Then the relaxation regime starts as a non-exponential time dependent, proceed asymptotically to an to an exponential function of time, to so called diffusion limited relaxation regime with relaxation time T 1d D is inversely depends on impurities concentration. This kind of relaxation behavior of the dipolar order takes place in the experiment [2]. Using experimental results [2] from this two regime we can estimate the diffusion coefficient of the nuclear dipolar order in CaF 2 , which gives for typical values of impurity concentration C p ∼ 10 18 cm 3 the diffusion coefficient of dipolar order in the interval D ∼ 10 -11 -i- 10 -12 cm 2 /sec which is coincide to the case of Zeeman energy spin diffusion

Effect of coexistent hydrogen isotopes on tracer diffusion of tritium in alpha phase of group-V metal-hydrogen systems

International Nuclear Information System (INIS)

Sakamoto, Kan; Hashizume, Kenichi; Sugisaki, Masayasu

2009-01-01

Tracer diffusion coefficients of tritium in the alpha phase of group-V metal-hydrogen systems, α-MH(D)xTy (M=V and Ta; x>>y), were measured in order to clarify the effects of coexistent hydrogen isotopes on the tritium diffusion behavior. The hydrogen concentration dependence of such behavior and the effects of the coexistent hydrogen isotopes (protium and deuterium) were determined. The results obtained in the present (for V and Ta) and previous (for Nb) studies revealed that tritium diffusion was definitely dependent on hydrogen concentration but was not so sensitive to the kind of coexistent hydrogen isotopes. By summarizing those data, it was found that the hydrogen concentration dependence of the tracer diffusion coefficient of tritium in the alpha phase of group-V metals could be roughly expressed by a single empirical curve. (author)

Formation of calcium phosphates by vapour diffusion in highly concentrated ionic micro-droplets

Energy Technology Data Exchange (ETDEWEB)

Iafisco, M. [Alma Mater Studiorum Universita di Bologna, Dipartimento di Chimica ' ' G. Ciamician' ' , Via Selmi 2, 40126 Bologna (Italy); Universita del Piemonte Orientale, Dipartimento di Scienze Mediche, Via Solaroli 4, 28100 Novara (Italy); Delgado-Lopez, J.M.; Gomez-Morales, J.; Hernandez-Hernandez, M.A.; Rodriguez-Ruiz, I. [Laboratorio de Estudios Cristalograficos, IACT CSIC-UGR, Edificio Lopez Neyra, Avenida del Conocimiento, s/n 18100 Armilla (Spain); Roveri, N. [Alma Mater Studiorum Universita di Bologna, Dipartimento di Chimica ' ' G. Ciamician' ' , Via Selmi 2, 40126 Bologna (Italy)

2011-08-15

In this work we have used the sitting drop vapour diffusion technique, employing the ''crystallization mushroom '' to analyze the evolution of calcium phosphate crystallization in micro-droplets containing high initial concentrations of Ca{sup 2+} and HPO{sub 4}{sup 2-}. The decomposition of NH{sub 4}HCO{sub 3} solution produces vapours of NH{sub 3} and CO{sub 2} which diffuse through the droplets containing an aqueous solution of Ca(CH{sub 3}COO){sub 2} and (NH{sub 4}){sub 2}HPO{sub 4}. The result is the increase of pH by means of the diffusion of NH{sub 3} gas and the doping of the calcium phosphate with CO{sub 3}{sup 2-} ions by means of the diffusion of CO{sub 2} gas. The pH of the crystallization process is monitored and the precipitates at different times are characterized by XRD, FTIR, TGA, SEM and TEM techniques. The slow increase of pH and the high concentration of Ca{sup 2+} and HPO{sub 4}{sup 2-} in the droplets induce the crystallization of three calcium phosphate phases: dicalcium phosphate dihydrate (DCPD, brushite), octacalcium phosphate (OCP) and carbonate-hydroxyapatite (HA). The amount of HA nanocrystals with needle-like morphology and dimensions of about 100 nm, closely resembling the inorganic phase of bones, gradually increases, with the precipitation time up to 7 days, whereas the amount of DCPD, growing along the b axis, increases up to 3 days. Then, DCDP crystals start to hydrolyze yielding OCP nanoribbons and HA nanocrystals. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Interaction between diffusion and chemical stresses

International Nuclear Information System (INIS)

Yang Fuqian

2005-01-01

The present work studies the interaction between chemical stresses and diffusion. A new relation between hydrostatic stress and concentration of solute atoms is established. For a solid free of action of body force, the Laplacian of the hydrostatic stress is proportional to the Laplacian of the concentration of solute atoms, that is, deviation of the hydrostatic stress from its local average is proportional to deviation of the local concentration of solute atoms. A general relationship among surface concentration of solute atoms, normal stress and surface deformation of a solid is then derived, in which the normal stress is dependent on the mean curvature of the undeformed surface and tangential components of the surface displacement. A closed-form solution of the steady state concentration of solute atoms in a thin plate is obtained. It turns out that linear distribution of solute atoms in the plate is non-existent due to the interaction between chemical stresses and diffusion

Determination of trapping parameters and the chemical diffusion coefficient from hydrogen permeation experiments

International Nuclear Information System (INIS)

Svoboda, J.; Mori, G.; Prethaler, A.; Fischer, F.D.

2014-01-01

Highlights: • A modeling study for diffusion of hydrogen with traps is presented. • Introduction of a new chemical diffusion coefficient. • Density of traps and average depth of traps can be determined. • Lattice diffusion and sub-surface concentration of atomic hydrogen can be determined. - Abstract: An improved diffusion theory accounting for trapping effects is applied to evaluation of hydrogen permeation experiments performed for pure iron and pearlitic and martensitic steels. The trapping parameters as molar volume and depth of traps are determined by fitting experiments by simulations based on the theory. The concentration-dependent chemical diffusion coefficient of hydrogen is extracted indicating that the trapping effect on diffusion in pure iron and pearlitic steel is negligible. However, it is significant for martensitic steel, for which the chemical diffusion coefficient cannot be considered as concentration-independent as it is established in current standards

Grey Box Modelling of Flow in Sewer Systems with State Dependent Diffusion

DEFF Research Database (Denmark)

Breinholt, Anders; Thordarson, Fannar Örn; Møller, Jan Kloppenborg

2011-01-01

. It is shown that an additive diffusion noise term description leads to a violation of the physical constraints of the system, whereas a state dependent diffusion noise avoids this problem and should be favoured. It is also shown that a logarithmic transformation of the flow measurements secures positive lower...... flow prediction limits, because the observation noise is proportionally scaled with the modelled output. Finally it is concluded that a state proportional diffusion term best and adequately describes the one-step flow prediction uncertainty, and a proper description of the system noise is important......Generating flow forecasts with uncertainty limits from rain gauge inputs in sewer systems require simple models with identifiable parameters that can adequately describe the stochastic phenomena of the system. In this paper, a simple grey-box model is proposed that is attractive for both...

Tracer diffusion study in binary alloys

International Nuclear Information System (INIS)

Bocquet, Jean-Louis

1973-01-01

The diffusional properties of dilute alloys are quite well described with 5 vacancy jump frequencies: the diffusion experiments allow as to determine only 3 jump frequency ratios. The first experiment set, found by Howard and Manning, was used in order to determine the 3 frequency ratios in the dilute Cu-Fe alloy. N.V. Doan has shown that the isotope effect measurements may be replaced by easier electromigration experiments: this new method was used with success for the dilute Ag-Zn and Ag-Cd alloys. Two effects which take place in less dilute alloys cannot be explained with the 5 frequency model, these are: the linear enhancement of solute diffusion and the departure from linear enhancement of solvent diffusion versus solute concentration. To explain these effects, we have had to take account of the influence of solute pairs on diffusion via 53 new vacancy jump frequencies. Diffusion in a concentrated alloy can be described with a quasi-chemical approach: we show that a description with 'surrounded atoms' allows the simultaneous explanation of the thermodynamical properties of the binary solid solution, the dependence of atomic jump frequencies with respect to the local concentration of the alloy. In this model, the two atomic species have a jump frequency spectrum at their disposal, which seems to greatly modify Manning's correlation analysis. (author) [fr

Size-dependent diffusion promotes the emergence of spatiotemporal patterns

DEFF Research Database (Denmark)

Zhang, Lai; Thygesen, Uffe Høgsbro; Banerjee, Malay

2014-01-01

intraspecific physiological variations at the individual level. Here we explore the impacts of size variation within species resulting from individual ontogeny, on the emergence of spatiotemporal patterns in a fully size-structured population model. We found that size dependency of animal's diffusivity greatly......, we found that the single-generation cycle is more likely to drive spatiotemporal patterns compared to predator-prey cycles, meaning that the mechanism of Hopf bifurcation might be more common than hitherto appreciated since the former cycle is more widespread than the latter in case of interacting...

Time-dependent Taylor–Aris dispersion of an initial point concentration

DEFF Research Database (Denmark)

Vedel, Søren; Hovad, Emil; Bruus, Henrik

2014-01-01

-specific theoretical results, and furthermore predict new phenomena. In particular, for the transient phase before the well-described steady Taylor–Aris limit is reached, we find anomalous diffusion with a dependence of the temporal scaling exponent on the initial release point, generalizing this finding in specific...... cases. During this transient we furthermore identify maxima in the values of the dispersion coefficient which exceed the Taylor–Aris value by amounts that depend on channel geometry, initial point release position, velocity profile and Péclet number. We show that these effects are caused by a difference...

Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks.

Science.gov (United States)

Hwang, Seungtaik; Gopalan, Arun; Hovestadt, Maximilian; Piepenbreier, Frank; Chmelik, Christian; Hartmann, Martin; Snurr, Randall Q; Kärger, Jörg

2018-03-15

Molecular diffusion is commonly found to slow down with increasing molecular size. Deviations from this pattern occur in some host materials with pore sizes approaching the diameters of the guest molecules. A variety of theoretical models have been suggested to explain deviations from this pattern, but robust experimental data are scarcely available. Here, we present such data, obtained by monitoring the chain length dependence of the uptake of n- alkanes in the zeolitic imidazolate framework ZIF-4. A monotonic decrease in diffusivity from ethane to n- butane was observed, followed by an increase for n- pentane, and another decrease for n- hexane. This observation was confirmed by uptake measurements with n- butane/ n -pentane mixtures, which yield faster uptake of n- pentane. Further evidence is provided by the observation of overshooting effects, i.e., by transient n- pentane concentrations exceeding the (eventually attained) equilibrium value. Accompanying grand canonical Monte Carlo simulations reveal, for the larger n- alkanes, significant differences between the adsorbed and gas phase molecular configurations, indicating strong confinement effects within ZIF-4, which, with increasing chain length, may be expected to give rise to configurational shifts facilitating molecular propagation at particular chain lengths.

Anomaly in the Chain Length Dependence of n-Alkane Diffusion in ZIF-4 Metal-Organic Frameworks

Directory of Open Access Journals (Sweden)

Seungtaik Hwang

2018-03-01

Full Text Available Molecular diffusion is commonly found to slow down with increasing molecular size. Deviations from this pattern occur in some host materials with pore sizes approaching the diameters of the guest molecules. A variety of theoretical models have been suggested to explain deviations from this pattern, but robust experimental data are scarcely available. Here, we present such data, obtained by monitoring the chain length dependence of the uptake of n-alkanes in the zeolitic imidazolate framework ZIF-4. A monotonic decrease in diffusivity from ethane to n-butane was observed, followed by an increase for n-pentane, and another decrease for n-hexane. This observation was confirmed by uptake measurements with n-butane/n-pentane mixtures, which yield faster uptake of n-pentane. Further evidence is provided by the observation of overshooting effects, i.e., by transient n-pentane concentrations exceeding the (eventually attained equilibrium value. Accompanying grand canonical Monte Carlo simulations reveal, for the larger n-alkanes, significant differences between the adsorbed and gas phase molecular configurations, indicating strong confinement effects within ZIF-4, which, with increasing chain length, may be expected to give rise to configurational shifts facilitating molecular propagation at particular chain lengths.

Evaluation of diffusion coefficients from composition profiles - the influence of trapping

DEFF Research Database (Denmark)

Christiansen, Thomas; Somers, Marcel A. J.

2006-01-01

The applicability of the Boltzmann-Matano method for evaluation of a diffusion coefficient and its concentration dependency by line profile analysis is tested on three different (model) systems. All systems involve interstitial diffusion. It is shown that the occurrence of trapping corrupts...... the applicability of the Boltzmann-Matano method....

DIFMIG - A computer program for calculation of diffusive migration through multi-barrier systems

International Nuclear Information System (INIS)

Bo, P.; Carlsen, L.

1981-11-01

The FORTRAN IV program DIFMIG calculates one-dimensionally (i.e. column) the diffusive migration of single substances through arbitrary multibarrier systems. Time dependent changes in concentration other than dispersion/diffusion (e.g. slow dissolution of a compound from a repository, radioactive decay, and/or build up of daughter products), and possible time dependent variations in the effective dispersion into account. The diffusion equation is solved by a finite difference implicite method, the resulting trigonal matrix equation being solved by standard methods. (author)

Polyphase diffusion of fission products in graphite

International Nuclear Information System (INIS)

Dannert, V.

1989-05-01

The report attempts to give an introduction into the subject of fission product transport in nuclear graphite and results in an extended proposal of a transport-model. Beginning with a rough description of the graphite in question, an idea about the physical transport-phenomena in graphite is developed. Some of the basic experimental methods, especially techniques of porosimetry, determination of sorption-isotherms and of course several transport-experiments, are briefly described and their results are discussed. Some of the most frequent transport models are introduced and assessed with the criteria emphasized in this report. An extended model is proposed including the following main ideas: The transport of the fission-products is regarded as a two-phase-diffusion process through the open pores of the graphite. The two phases are: surface-diffusion and gas-diffusion. A time-dependent coupling of the two diffusion-phases by sorption-isotherms and a concentration-dependence of the surface diffusion coefficient, also related to the physical behaviour of the sorption-isotherms, are the basic properties of the proposed model. (orig./HP) [de

Diffusion in flexible pipes

Energy Technology Data Exchange (ETDEWEB)

Brogaard Kristensen, S

2000-06-01

This report describes the work done on modelling and simulation of the complex diffusion of gas through the wall of a flexible pipe. The diffusion and thus the pressure in annulus depends strongly on the diffusion and solubility parameters of the gas-polymer system and on the degree of blocking of the outer surface of the inner liner due to pressure reinforcements. The report evaluates the basis modelling required to describe the complex geometries and flow patterns. Qualitatively results of temperature and concentration profiles are shown in the report. For the program to serve any modelling purpose in 'real life' the results need to be validated and possibly the model needs corrections. Hopefully, a full-scale test of a flexible pipe will provide the required temperatures and pressures in annulus to validate the models. (EHS)

The influence of excess vacancy generation on the diffusion of ion implanted phosphorus into silicon

International Nuclear Information System (INIS)

Bakowski, A.

1985-01-01

The diffusion of ion implanted phosphorus in silicon has been studied. It was found that the diffusion coefficient is not only dependent on the phosphorus surface concentration (the concentration effect) but also on the conditions at the silicon surface (the surface effect). The phosphorus diffusion coefficient is considerably lower when the silicon surface during annealing is covered with a CVD oxide layer. It is suggested that excess vacancies generated at the surface are reponsible for both the concentration and surface effects. Enhanced phosphorus diffusion is attributed to the disturbance of thermodynamic equilibrium in the crystal through phosphorus-vacancy part formation by vacancies introduced into silicon at the surface. On the basis of the data presented, it can be concluded that two mechanisms for excess vacancy generation are involved. Assuming that phosphorus diffuses via E-centers, calculations of the concentration profiles and the diffusion coefficient were performed for different concentrations and surface conditions. (orig.)

Effect of Porosity and Concentration Polarization on Electrolyte Diffusive Transport Parameters through Ceramic Membranes with Similar Nanopore Size

Directory of Open Access Journals (Sweden)

Virginia Romero

2014-08-01

Full Text Available Diffusive transport through nanoporous alumina membranes (NPAMs produced by the two-step anodization method, with similar pore size but different porosity, is studied by analyzing membrane potential measured with NaCl solutions at different concentrations. Donnan exclusion of co-ions at the solution/membrane interface seem to exert a certain control on the diffusive transport of ions through NPAMs with low porosity, which might be reduced by coating the membrane surface with appropriated materials, as it is the case of SiO2. Our results also show the effect of concentration polarization at the membrane surface on ionic transport numbers (or diffusion coefficients for low-porosity and high electrolyte affinity membranes, which could mask values of those characteristic electrochemical parameters.

Diffusion of 51Cr along high-diffusivity paths in Ni-Fe alloys

International Nuclear Information System (INIS)

Cermak, J.

1990-01-01

Penetration profiles of 51 Cr in polycrystalline alloys Ni-xFe (x = 0, 20, 40, and 60 wt.% Fe) after diffusion anneals at temperatures between 693 and 1473 K are studied. Sectioning of diffusion zones of samples annealed above 858 K is carried out by grinding, at lower temperatures by DC glow discharge sputtering. The concentration of 51 Cr in depth x is assumed to be proportional to relative radioactivity of individual sections. With help of volume and pipe self-diffusion data taken from literature, the temperature dependence of product P = δD g (δ and D g are grain boundary width and grain boundary diffusion coefficient, respectively) is obtained: P = (2.68 - 0.88 +1.3 ) x 10 -11 exp [-(221.3 ± 3.0) kJ/mol/RT]m 3 /s. This result agrees well with the previous measurements of 51 Cr diffusivity in Fe-18 Cr-12 Ni and Fe-21 Cr-31 Ni. It indicates that the mean chemical composition of Fe-Cr-Ni ternary alloys is not a dominant factor affecting the grain boundary diffusivity of Cr in these alloys. (author)

A diffusive ink transport model for lipid dip-pen nanolithography

Science.gov (United States)

Urtizberea, A.; Hirtz, M.

2015-09-01

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

Intercomparison of diffusion coefficient derived from the through-diffusion experiment using different numerical methods

International Nuclear Information System (INIS)

Chih-Lung Chen; Institute of Nuclear Energy Research, Taoyuan, Taiwan; Tsing-Hai Wang; Shi-Ping Teng; Ching-Hor Lee

2014-01-01

Diffusion is a dominant mechanism regulating the transport of released nuclides. The through-diffusion method is typically applied to determine the diffusion coefficients (D). Depending on the design of the experiment, the concentrations in the source term [i.e., inlet reservoir (IR)] or the end term [i.e., outlet reservoir (OR)] can be fixed or vary. The combinations involve four distinct models (i.e., the CC-CC model, CC-VC model, VC-CC model, and the VC-VC model). Studies discussing the VC-CC model are scant. An analytical method considering the decay effect is required to accurately interpret the radioactive nuclide diffusion experiment results. Therefore, we developed a CC-CC model and a CC-VC model with a decay effect and the simplified formulas of these two models to determine the diffusion coefficient (i.e., the CC-CC method and CC-VC method). We also proposed two simplified methods using the VC-VC model to determine the diffusion coefficient straightforwardly based upon the concentration variation in IR and OR. More importantly, the best advantage of proposed method over others is that one can derive three diffusion coefficients based on one run of experiment. In addition, applying our CC-VC method to those data reported from Radiochemica Acta 96:111-117, 2008; and J Contam Hydrol 35:55-65, 1998, derived comparable diffusion coefficient lying in the identical order of magnitude. Furthermore, we proposed a formula to determine the conceptual critical time (Tc), which is particularly beneficial for the selection of using CC-VC or VC-VC method. Based on our proposed method, it becomes possible to calculate diffusion coefficient from a through-diffusion experiment in a shorter period of time. (author)

Diffusion of Sites versus Polymers in Polyelectrolyte Complexes and Multilayers.

Science.gov (United States)

Fares, Hadi M; Schlenoff, Joseph B

2017-10-18

It has long been assumed that the spontaneous formation of materials such as complexes and multilayers from charged polymers depends on (inter)diffusion of these polyelectrolytes. Here, we separately examine the mass transport of polymer molecules and extrinsic sites-charged polyelectrolyte repeat units balanced by counterions-within thin films of polyelectrolyte complex, PEC, using sensitive isotopic labeling techniques. The apparent diffusion coefficients of these sites within PEC films of poly(diallyldimethylammonium), PDADMA, and poly(styrenesulfonate), PSS, are at least 2 orders of magnitude faster than the diffusion of polyelectrolytes themselves. This is because site diffusion requires only local rearrangements of polyelectrolyte repeat units, placing far fewer kinetic limitations on the assembly of polyelectrolyte complexes in all of their forms. Site diffusion strongly depends on the salt concentration (ionic strength) of the environment, and diffusion of PDADMA sites is faster than that of PSS sites, accounting for the asymmetric nature of multilayer growth. Site diffusion is responsible for multilayer growth in the linear and into the exponential regimes, which explains how PDADMA can mysteriously "pass through" layers of PSS. Using quantitative relationships between site diffusion coefficient and salt concentration, conditions were identified that allowed the diffusion length to always exceed the film thickness, leading to full exponential growth over 3 orders of magnitude thickness. Both site and polymer diffusion were independent of molecular weight, suggesting that ion pairing density is a limiting factor. Polyelectrolyte complexes are examples of a broader class of dynamic bulk polymeric materials that (self-) assemble via the transport of cross-links or defects rather than actual molecules.

Effect of chemical redox on Gd-doped ceria mass diffusion

DEFF Research Database (Denmark)

Ni, De Wei; de Florio, D.Z.; Marani, Debora

2015-01-01

The valence and size of cations influence mass diffusion and oxygen defects in ceria. Here we show that reduction of Ce4+ to Ce3+, at high temperatures and low oxygen activity, activates fast diffusion mechanisms which depend on the aliovalent cation concentration. As a result, polycrystalline so...... solid solutions with enhanced electrochemical properties are formed....

Modeling the dependency of radon concentration levels inside ancient Egyptian tombs on the ambient temperature variations

International Nuclear Information System (INIS)

Metwally, S.M.; Abo-Elmagdb, M.; Salamaa, E.

2007-01-01

Radon concentration inside partially closed places like dwellings, caves and tombs, depends on many parameters. Some parameters are known quantitatively as radon exhalation rate for walls, decay constant, surface to volume ratio and outdoor concentration while other parameters as ventilation rate is in common known qualitatively due to useless of traditional methods (tracer gases) in many places as ancient Egyptian tombs. This work introduces a derived mathematical model to evaluate the sensitivity of radon concentration levels inside single sided opening places as ancient Egyptian tombs on the ambient temperature differences. The obtained formula for the natural ventilation rate depends on the indoor and outdoor temperature difference and the geometrical dimensions of the doorway. The effects of in and out flow mixing, air viscosity, streamline contraction, swirling flow and turbulence, were taken into consideration in terms of an empirical correction factor. According UNSCEAR reports, the exhalation rate Φ=C ra λ rn fρ s (1-ε)L; C ra the effective radium content, λ rn decay constant, f emanation fraction, ρ s soil grain density, ε porosity and L diffusion length, these are approximately static parameters but the variability of ambient temperature introduces a source of energy of fluctuating strength to radon atoms in rocks which controls the flow rate and the ambient content of radon. Therefore, the change of outdoor and indoor temperature difference causes fluctuation of value and direction of volume flow rate in such places consequently causes the daily variation and on average the seasonal variation of radon concentration. Therefore according to the present model, the daily accurate expectation of radon concentrations inside ancient Egyptian tombs, require precise measurements of indoor and outdoor temperatures

Nonlinear Diffusion and Transient Osmosis

International Nuclear Information System (INIS)

Igarashi, Akira; Rondoni, Lamberto; Botrugno, Antonio; Pizzi, Marco

2011-01-01

We investigate both analytically and numerically the concentration dynamics of a solution in two containers connected by a narrow and short channel, in which diffusion obeys a porous medium equation. We also consider the variation of the pressure in the containers due to the flow of matter in the channel. In particular, we identify a phenomenon, which depends on the transport of matter across nano-porous membranes, which we call ''transient osmosis . We find that nonlinear diffusion of the porous medium equation type allows numerous different osmotic-like phenomena, which are not present in the case of ordinary Fickian diffusion. Experimental results suggest one possible candidate for transiently osmotic processes. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Exciton diffusion length in narrow bandgap polymers

NARCIS (Netherlands)

Mikhnenko, O.V.; Azimi, H.; Morana, M.; Blom, P.W.M.; Loi, M.A.

2012-01-01

We developed a new method to accurately extract the singlet exciton diffusion length in organic semiconductors by blending them with a low concentration of methanofullerene[6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The dependence of photoluminescence (PL) decay time on the fullerene

Diffusion air effects on the soot axial distribution concentration in a premixed acetylene/air flame

Energy Technology Data Exchange (ETDEWEB)

Fassani, Fabio Luis; Santos, Alex Alisson Bandeira; Goldstein Junior, Leonardo [Universidade Estadual de Campinas, SP (Brazil). Faculdade de Engenharia Mecanica. Dept. de Engenharia Termica e de Fluidos]. E-mails: fassani@fem.unicamp.br; absantos@fem.unicamp.br; leonardo@fem.unicamp.br; Ferrari, Carlos Alberto [Universidade Estadual de Campinas, SP (Brazil). Inst. de Fisica. Dept. de Eletronica Quantica]. E-mail: ferrari@ifi.unicamp.br

2000-07-01

Soot particles are produced during the high temperature pyrolysis or combustion of hydrocarbons. The emission of soot from a combustor, or from a flame, is determined by the competition between soot formation and its oxidation. Several factors affect these processes, including the type of fuel, the air-to-fuel ratio, flame temperature, pressure, and flow pattern. In this paper, the influence of the induced air diffusion on the soot axial distribution concentration in a premixed acetylene/air flame was studied. The flame was generated in a vertical axis burner in which the fuel - oxidant mixture flow was surrounded by a nitrogen discharge coming from the annular region between the burner tube and an external concentric tube. The nitrogen flow provided a shield that protected the flame from the diffusion of external air, enabling its control. The burner was mounted on a step-motor driven, vertical translation table. The use of several air-to-fuel ratios made possible to establish the sooting characteristics of this flame, by measuring soot concentration along the flame height with a non-intrusive laser light absorption technique. (author)

The mutual diffusion coefficient for (meth)acrylate monomers as determined with a nuclear microprobe

International Nuclear Information System (INIS)

Leewis, Christian M.; Mutsaers, Peter H.A.; Jong, Arthur M. de; Ijzendoorn, Leo J. van; Voigt, Martien J.A. de; Ren, Min Q.; Watt, Frank; Broer, Dirk J.

2004-01-01

The value of the mutual diffusion coefficient D V of two acrylic monomers is determined with nuclear microprobe measurements on a set of polymer films. These films have been prepared by allowing the monomers to diffuse into each other for a certain time and subsequently applying fast ultraviolet photo-polymerization, which freezes the concentration profile. The monomer diffusion profiles are studied with a scanning 2.1 MeV proton microprobe. Each monomer contains a marker element, e.g., Cl and Si, which are easily detected with proton induced x-ray emission. From the diffusion profiles, it is possible to determine the mutual diffusion coefficient. The mutual diffusion coefficient is dependent of concentration, which is concluded from the asymmetry in the Cl- and Si-profiles. A linear dependence of the mutual diffusion coefficient on the composition is used as a first order approximation. The best fits are obtained for a value of b=(0.38±0.15), which is the ratio of the diffusion coefficient of 1,3-bis(3-methacryloxypropyl)-1, 1,3,3-tetramethyldisiloxane in pure 2-chloroethyl acrylate and the diffusion coefficient of 2-chloroethyl acrylate in pure 1,3-bis(3-methacryloxypropyl)-1,1,3,3-tetramethyldisiloxane. Under the assumption of a linear dependence of the mutual diffusion coefficient D V on monomer composition, it follows that D V =(2.9±0.6)·10 -10 m 2 /s at a 1:1 monomer ratio. With Flory-Huggins expressions for the monomer chemical potentials, one can derive approximate values for the individual monomer diffusion coefficients

Diffusion in flexible pipes

Energy Technology Data Exchange (ETDEWEB)

Brogaard Kristensen, S.

2000-06-01

This report describes the work done on modelling and simulation of the complex diffusion of gas through the wall of a flexible pipe. The diffusion and thus the pressure in annulus depends strongly on the diffusion and solubility parameters of the gas-polymer system and on the degree of blocking of the outer surface of the inner liner due to pressure reinforcements. The report evaluates the basis modelling required to describe the complex geometries and flow patterns. Qualitatively results of temperature and concentration profiles are shown in the report. For the program to serve any modelling purpose in 'real life' the results need to be validated and possibly the model needs corrections. Hopefully, a full-scale test of a flexible pipe will provide the required temperatures and pressures in annulus to validate the models. (EHS)

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

Science.gov (United States)

Good, Brian

2011-01-01

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

Diffusive dynamics of nanoparticles in aqueous dispersions

KAUST Repository

He, Kai; Spannuth, Melissa; Conrad, Jacinta C.; Krishnamoorti, Ramanan

2012-01-01

The diffusive dynamics of 100 nm to 400 nm diameter polystyrene nanoparticles dispersed in water were studied using brightfield and fluorescence based differential dynamic microscopy (DDM) and compared to those obtained from dynamic light scattering. The relaxation times measured with brightfield and fluorescence DDM over a broad range of concentration of nanoparticles (10 -6 ≤ φ ≤ 10-3) and scattering vectors (0.5 μm-1 < q < 10 μm-1) are in excellent agreement with each other and extrapolate quantitatively to those obtained from DLS measurements. The diffusion coefficients extracted from the q-dependent relaxation times using all three methods are independent of the nanoparticle concentration. © 2012 The Royal Society of Chemistry.

Multicomponent diffusion in molten salt LiF-BeF{sub 2}: Dynamical correlations and Maxwell–Stefan diffusivities

Energy Technology Data Exchange (ETDEWEB)

Chakraborty, Brahmananda, E-mail: brahma@barc.gov.in; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085 (India)

2015-06-24

Applying Green–Kubo formalism and equilibrium molecular dynamics (MD) simulations, we have studied the dynamic correlation, Onsager coeeficients and Maxwell–Stefan (MS) Diffusivities of molten salt LiF-BeF{sub 2}, which is used as coolant in high temperature reactor. All the diffusive flux correlations show back-scattering or cage dynamics which becomes pronouced at higher temperature. Although the MS diffusivities are expected to depend very lightly on the composition due to decoupling of thermodynamic factor, the diffusivity Đ{sub Li-F} and Đ{sub Be-F} decreases sharply for higher concentration of LiF and BeF{sub 2} respectively. Interestingly, all three MS diffusivities have highest magnitude for eutectic mixture at 1000K (except Đ{sub Be-F} at lower LiF mole fraction) which is desirable from coolant point of view. Although the diffusivity for positive-positive ion pair is negative it is not in violation of the second law of thermodynamics as it satisfies the non-negative entropic constraints.

Anomalous dimensionality dependence of diffusion in a rugged energy landscape: How pathological is one dimension?

Science.gov (United States)

Seki, Kazuhiko; Bagchi, Kaushik; Bagchi, Biman

2016-05-01

Diffusion in one dimensional rugged energy landscape (REL) is predicted to be pathologically different (from any higher dimension) with a much larger chance of encountering broken ergodicity [D. L. Stein and C. M. Newman, AIP Conf. Proc. 1479, 620 (2012)]. However, no quantitative study of this difference has been reported, despite the prevalence of multidimensional physical models in the literature (like a high dimensional funnel guiding protein folding/unfolding). Paradoxically, some theoretical studies of these phenomena still employ a one dimensional diffusion description for analytical tractability. We explore the dimensionality dependent diffusion on REL by carrying out an effective medium approximation based analytical calculations and compare them with the available computer simulation results. We find that at an intermediate level of ruggedness (assumed to have a Gaussian distribution), where diffusion is well-defined, the value of the effective diffusion coefficient depends on dimensionality and changes (increases) by several factors (˜5-10) in going from 1d to 2d. In contrast, the changes in subsequent transitions (like 2d to 3d and 3d to 4d and so on) are far more modest, of the order of 10-20% only. When ruggedness is given by random traps with an exponential distribution of barrier heights, the mean square displacement (MSD) is sub-diffusive (a well-known result), but the growth of MSD is described by different exponents in one and higher dimensions. The reason for such strong ruggedness induced retardation in the case of one dimensional REL is discussed. We also discuss the special limiting case of infinite dimension (d = ∞) where the effective medium approximation becomes exact and where theoretical results become simple. We discuss, for the first time, the role of spatial correlation in the landscape on diffusion of a random walker.

Comparison of nanoparticle diffusion using fluorescence correlation spectroscopy and differential dynamic microscopy within concentrated polymer solutions

Science.gov (United States)

Shokeen, Namita; Issa, Christopher; Mukhopadhyay, Ashis

2017-12-01

We studied the diffusion of nanoparticles (NPs) within aqueous entangled solutions of polyethylene oxide (PEO) by using two different optical techniques. Fluorescence correlation spectroscopy, a method widely used to investigate nanoparticle dynamics in polymer solution, was used to measure the long-time diffusion coefficient (D) of 25 nm radius particles within high molecular weight, Mw = 600 kg/mol PEO in water solutions. Differential dynamic microscopy (DDM) was used to determine the wave-vector dependent dynamics of NPs within the same polymer solutions. Our results showed good agreement between the two methods, including demonstration of normal diffusion and almost identical diffusion coefficients obtained by both techniques. The research extends the scope of DDM to study the dynamics and rheological properties of soft matter at a nanoscale. The measured diffusion coefficients followed a scaling theory, which can be explained by the coupling between polymer dynamics and NP motion.

Particle size- and concentration-dependent separation of magnetic nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Witte, Kerstin, E-mail: witte@micromod.de [University of Rostock, Institute of Physics, Albert-Einstein-Str. 23, 18059 Rostock (Germany); Micromod Partikeltechnologie GmbH, Friedrich-Barnewitz-Str. 4, 18119 Rostock (Germany); Müller, Knut; Grüttner, Cordula; Westphal, Fritz [Micromod Partikeltechnologie GmbH, Friedrich-Barnewitz-Str. 4, 18119 Rostock (Germany); Johansson, Christer [Acreo Swedish ICT AB, 40014 Göteborg (Sweden)

2017-04-01

Small magnetic nanoparticles with a narrow size distribution are of great interest for several biomedical applications. When the size of the particles decreases, the magnetic moment of the particles decreases. This leads to a significant increase in the separation time by several orders of magnitude. Therefore, in the present study the separation processes of bionized nanoferrites (BNF) with different sizes and concentrations were investigated with the commercial Sepmag Q system. It was found that an increasing initial particle concentration leads to a reduction of the separation time for large nanoparticles due to the higher probability of building chains. Small nanoparticles showed exactly the opposite behavior with rising particle concentration up to 0.1 mg(Fe)/ml. For higher iron concentrations the separation time remains constant and the measured Z-average decreases in the supernatant at same time intervals. At half separation time a high yield with decreasing hydrodynamic diameter of particles can be obtained using higher initial particle concentrations. - Highlights: • Size dependent separation processes of multicore nanoparticles. • Concentration dependent separation processes of multicore nanoparticles. • Increasing separation time with rising concentrations for small particles. • Large particles show typical cooperative magnetophoresis behavior.

Large Time Asymptotics for a Continuous Coagulation-Fragmentation Model with Degenerate Size-Dependent Diffusion

KAUST Repository

Desvillettes, Laurent

2010-01-01

We study a continuous coagulation-fragmentation model with constant kernels for reacting polymers (see [M. Aizenman and T. Bak, Comm. Math. Phys., 65 (1979), pp. 203-230]). The polymers are set to diffuse within a smooth bounded one-dimensional domain with no-flux boundary conditions. In particular, we consider size-dependent diffusion coefficients, which may degenerate for small and large cluster-sizes. We prove that the entropy-entropy dissipation method applies directly in this inhomogeneous setting. We first show the necessary basic a priori estimates in dimension one, and second we show faster-than-polynomial convergence toward global equilibria for diffusion coefficients which vanish not faster than linearly for large sizes. This extends the previous results of [J.A. Carrillo, L. Desvillettes, and K. Fellner, Comm. Math. Phys., 278 (2008), pp. 433-451], which assumes that the diffusion coefficients are bounded below. © 2009 Society for Industrial and Applied Mathematics.

Diffusion of fluoride in bovine enamel

International Nuclear Information System (INIS)

Flim, G.J.; Arends, J.; Kolar, Z.

1976-01-01

The uptake of 18 F and the penetration of both F and 18 F in bovine enamel was investigated. Sodium fluoride solutions buffered at pH 7 were employed. The uptake of 18 F was measured by a method described by R. Duckworth and M. Braden, Archs. Oral. Biol., 12(1967), pp. 217-230. The penetration concentration profiles of fluoride (F, 18 F) in the enamel were measured by a sectioning technique. The 18 F uptake in enamel was proportional to approximately tsup(3/4); t being the uptake time. The 18 F concentration as a function of the position in the enamel can be described by: c*(x,t) = c 0 *(t)exp[-α*(t)x]. After correction for the initial fluoride concentration in enamel, for unlabelled fluoride the same dependency is obtained. A model based on simultaneous diffusion and chemical reaction in the pores and diffusion into the hydroxyapatite crystallites will be presented. The results show that diffusion coefficients of the pores are approximately equal to 10 -10 cm 2 s -1 and in the apatite crystallites approximately equal to 10 -17 cm 2 s -1 . The limitations and the approximations of the model are discussed

Diffusion studies in amorphous NiZr alloys

International Nuclear Information System (INIS)

Hahn, H.; Averback, R.S.; Hoshino, K.; Rothman, S.J.

1987-06-01

Tracer impurity and self diffusion measurements have been made on amorphous (a-) NiZr alloys using radioactive tracer, Secondary Ion Mass Spectrometry and Rutherford backscattering techniques. The temperature dependence of diffusion in a-NiZr can be represented in the form D = D 0 exp(-Q/kT), with no structural relaxation effects being observed. The mobility of an atom in a-NiZr increased dramatically with decreasing atomic radius of the diffusing atom and also with decreasing Ni content for Ni concentrations below ≅40 at. %. These diffusion characteristics in a-NiZr are remarkably similar to those in α-Zr and α-Ti. These mechanisms assume that Zr and Ti provide a close packed structure, either crystalline or amorphous, through which small atoms diffuse by an interstitial mechanism and large atoms diffuse by a vacancy mechanism. 12 refs., 2 figs., 2 tabs

Investigation of the diffusion {proportional_to} brasses using methods depending on the evaporation or condensation of zinc; Etude de la diffusion dans les laitons {proportional_to} au moyen des methodes d'evaporation ou de condensation du zinc

Energy Technology Data Exchange (ETDEWEB)

Accary, A [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires; Centre d' Etudes de Chimie Metallurgique du CNRS (France)

1959-07-01

Diffusion in {alpha} brasses has been investigated using methods involving the evaporation and the condensation of zinc. Having shown that at sufficiently high temperatures intergranular diffusion has no effect, it was then proved that the rate of evaporation or of condensation can only be defined if the mechanical treatment of the test piece before diffusion, the direction of the diffusion and the nature of the impurities present are also defined. The coefficient of diffusion D is then given by the equation D ({pi}/4t){rho}{sup 2}{sub 0} where t is the duration of the diffusion; {rho}{sub 0} is the extrapolated value of {rho} = ({delta}m)/({delta}C) for a zero value of the variation of concentration ({delta}m in is the change in weight of the test piece per unit surface; {delta}C is the difference between the concentration at the surface and the initial concentration of the test piece). This method has been used to study the effect of the direction of the diffusion on the coefficient of diffusion. The coefficient for diffusion which decreases the concentration of zinc is 5 times greater than that for diffusion which increases the quantity of zinc in the metal; an interpretation of this phenomena based on the mechanism of diffusion vacancies in the structure has been proposed. By means of micrographic investigation and by weighing it has been shown that the presence of certain impurities, such as phosphorous, arsenic, antimony, silicon, and aluminium can result in a marked increase of the rate of diffusion: the effect of these impurities on the coefficient of diffusion has been related to their valency and atomic weight. (author) [French] La diffusion dans les laitons {alpha} a ete etudiee au moyen des methodes d'evaporation et de condensafion du zinc. Apres avoir montre qu'aux temperatures suffisamment elevees, la diffusion intergranulaire ne jouait aucun role, l'auteur a prouve que la vitesse d'evaporation ou de condensation n'est definie que dans la mesure ou

A diffusion model-free framework with echo time dependence for free-water elimination and brain tissue microstructure characterization.

Science.gov (United States)

Molina-Romero, Miguel; Gómez, Pedro A; Sperl, Jonathan I; Czisch, Michael; Sämann, Philipp G; Jones, Derek K; Menzel, Marion I; Menze, Bjoern H

2018-03-23

The compartmental nature of brain tissue microstructure is typically studied by diffusion MRI, MR relaxometry or their correlation. Diffusion MRI relies on signal representations or biophysical models, while MR relaxometry and correlation studies are based on regularized inverse Laplace transforms (ILTs). Here we introduce a general framework for characterizing microstructure that does not depend on diffusion modeling and replaces ill-posed ILTs with blind source separation (BSS). This framework yields proton density, relaxation times, volume fractions, and signal disentanglement, allowing for separation of the free-water component. Diffusion experiments repeated for several different echo times, contain entangled diffusion and relaxation compartmental information. These can be disentangled by BSS using a physically constrained nonnegative matrix factorization. Computer simulations, phantom studies, together with repeatability and reproducibility experiments demonstrated that BSS is capable of estimating proton density, compartmental volume fractions and transversal relaxations. In vivo results proved its potential to correct for free-water contamination and to estimate tissue parameters. Formulation of the diffusion-relaxation dependence as a BSS problem introduces a new framework for studying microstructure compartmentalization, and a novel tool for free-water elimination. © 2018 International Society for Magnetic Resonance in Medicine.

The time dependent propensity function for acceleration of spatial stochastic simulation of reaction–diffusion systems

International Nuclear Information System (INIS)

Fu, Jin; Wu, Sheng; Li, Hong; Petzold, Linda R.

2014-01-01

The inhomogeneous stochastic simulation algorithm (ISSA) is a fundamental method for spatial stochastic simulation. However, when diffusion events occur more frequently than reaction events, simulating the diffusion events by ISSA is quite costly. To reduce this cost, we propose to use the time dependent propensity function in each step. In this way we can avoid simulating individual diffusion events, and use the time interval between two adjacent reaction events as the simulation stepsize. We demonstrate that the new algorithm can achieve orders of magnitude efficiency gains over widely-used exact algorithms, scales well with increasing grid resolution, and maintains a high level of accuracy

Re-enrichment of depleted uranium by passage through a gaseous diffusion installation; Reenrichissement de l'uranium appauvri par passage dans une installation de diffusion gazeuse

Energy Technology Data Exchange (ETDEWEB)

Lagrange, P; Billous, O [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1958-07-01

The reader will find in this paper an economic study of the re-utilization of depleted uranium from nuclear reactors, whether its content be above or under natural proportions. Re-utilization is possible either through bringing the depleted product up to its initial content of {sup 235}U by mixture with a richer concentrate, or else by passing it through a gaseous diffusion plant. The economic area of such re-utilization depends on a number of considerations. We give a general study of it, with reference to some typical gaseous diffusion facilities. (author)Fren. [French] Ce rapport examine au point de vue economique la reutilisation de l'uranium appauvri provenant des reacteurs nucleaires, qu'il soit indifferemment en dessus ou en dessous de la teneur naturelle. Cette reutilisation peut se faire soit en ramenant le produit a sa teneur initiale en isotope 235 par un melange convenable avec un concentre plus riche, soit en le faisant passer dans une usine de Diffusion Gazeuse. La zone de rentabilite de cette reutilisation depend de diverses conditions economiques. Elle est etudiee ci-dessous d'une maniere generale, puis en se referant a des installations-type de diffusion gazeuse. (auteur)

Temperature dependent diffusion and epitaxial behavior of oxidized Au/Ni/p-GaN ohmic contact

International Nuclear Information System (INIS)

Hu, C.Y.; Qin, Z.X.; Feng, Z.X.; Chen, Z.Z.; Ding, Z.B.; Yang, Z.J.; Yu, T.J.; Hu, X.D.; Yao, S.D.; Zhang, G.Y.

2006-01-01

The temperature dependent diffusion and epitaxial behavior of oxidized Au/Ni/p-GaN ohmic contact were studied with Rutherford backscattering spectroscopy/channeling (RBS/C) and synchrotron X-ray diffraction (XRD). It is found that the Au diffuses to the surface of p-GaN to form an epitaxial structure on p-GaN after annealing at 450 deg. C. At the same time, the O diffuses to the metal-semiconductor interface and forms NiO. Both of them are suggested to be responsible for the sharp decrease in the specific contact resistance (ρ c ) at 450 deg. C. At 500 deg. C, the epitaxial structure of Au develops further and the O also diffuses deeper into the interface. As a result, the ρ c reaches the lowest value at this temperature. However, when annealing temperature reaches 600 deg. C, part or all of the interfacial NiO is detached from the p-GaN and diffuses out, which cause the ρ c to increase greatly

Modeling the dependency of radon concentration levels inside ancient Egyptian tombs on the ambient temperature variations

Energy Technology Data Exchange (ETDEWEB)

Metwally, S M; Abo-Elmagdb, M [Faculty of Science, Department of Physics, Ain Shams University, P. O. Box 11566, Cairo (Egypt); Salamaa, E [National Institute for Standard, Radiation Measurements Department, Cairo (Egypt)

2007-06-15

Radon concentration inside partially closed places like dwellings, caves and tombs, depends on many parameters. Some parameters are known quantitatively as radon exhalation rate for walls, decay constant, surface to volume ratio and outdoor concentration while other parameters as ventilation rate is in common known qualitatively due to useless of traditional methods (tracer gases) in many places as ancient Egyptian tombs. This work introduces a derived mathematical model to evaluate the sensitivity of radon concentration levels inside single sided opening places as ancient Egyptian tombs on the ambient temperature differences. The obtained formula for the natural ventilation rate depends on the indoor and outdoor temperature difference and the geometrical dimensions of the doorway. The effects of in and out flow mixing, air viscosity, streamline contraction, swirling flow and turbulence, were taken into consideration in terms of an empirical correction factor. According UNSCEAR reports, the exhalation rate {phi}=C{sub ra}{lambda}{sub rn} f{rho}{sub s}(1-{epsilon})L; C{sub ra} the effective radium content, {lambda}{sub rn} decay constant, f emanation fraction, {rho}{sub s} soil grain density, {epsilon} porosity and L diffusion length, these are approximately static parameters but the variability of ambient temperature introduces a source of energy of fluctuating strength to radon atoms in rocks which controls the flow rate and the ambient content of radon. Therefore, the change of outdoor and indoor temperature difference causes fluctuation of value and direction of volume flow rate in such places consequently causes the daily variation and on average the seasonal variation of radon concentration. Therefore according to the present model, the daily accurate expectation of radon concentrations inside ancient Egyptian tombs, require precise measurements of indoor and outdoor temperatures.

Diffusion profiles of fluorine in archaeological bones and teeth

International Nuclear Information System (INIS)

Nelson, P.H.

1984-06-01

Measurements of radial fluorine profiles in bone and teeth sections with a nuclear microprobe show that the distribution is due to diffusion of fluoride ions inward from any exposed surface. Assuming simple diffusion and constant environment, the profile shape depends only on the parameter Dt/a 2 (D=diffusion constant, t=time, a=radius of bone/teeth). Three computer programs have been written to allow visual comparison of data with theoretical diffusion curves. Use of these programs has shown that experimental profiles follow closely the predictions of simple diffusion theory. (Although the diffusion constant may depend on concentration and species to a lesser extent). A preliminary value of D (2.74 +- 0.4) x 10 - 4/ sq. mm/y was deduced from radiocarbon dated Moa bones (age 400-16,200 yr B.P.). Preliminary investigations indicate that the diffusion constant in tooth dentine is approximately the same as in bone. These results indicate that a dating method using the computer programs should be possible for bones ranging in age from a few years to perhaps millions of years and that dating teeth should also be possible

Numerical simulation of diffuse double layer around microporous electrodes based on the Poisson–Boltzmann equation

International Nuclear Information System (INIS)

Kitazumi, Yuki; Shirai, Osamu; Yamamoto, Masahiro; Kano, Kenji

2013-01-01

Graphical abstract: - Highlights: • Diffuse double layers overlap with each other in the micropore. • The overlapping of the diffuse double layer affects the double layer capacitance. • The electric field becomes weak in the micropore. • The electroneutrality is unsatisfactory in the micropore. - Abstract: The structure of the diffuse double layer around a nm-sized micropore on porous electrodes has been studied by numerical simulation using the Poisson–Boltzmann equation. The double layer capacitance of the microporous electrode strongly depends on the electrode potential, the electrolyte concentration, and the size of the micropore. The potential and the electrolyte concentration dependence of the capacitance is different from that of the planner electrode based on the Gouy's theory. The overlapping of the diffuse double layer becomes conspicuous in the micropore. The overlapped diffuse double layer provides the mild electric field. The intensified electric field exists at the rim of the orifice of the micropore because of the expansion of the diffuse double layers. The characteristic features of microporous electrodes are caused by the heterogeneity of the electric field around the micropores

[Analyze nanofiltration separation rule of chlorogenic acid from low concentration ethanol by Donnan effect and solution-diffusion effect].

Science.gov (United States)

Li, Cun-Yu; Liu, Li-Cheng; Jin, Li-Yang; Li, Hong-Yang; Peng, Guo-Ping

2017-07-01

To separate chlorogenic acid from low concentration ethanol and explore the influence of Donnan effect and solution-diffusion effect on the nanofiltration separation rule. The experiment showed that solution pH and ethanol volume percent had influences on the separation of chlorogenic acid. Within the pH values from 3 to 7 for chlorogenic acid in 30% ethanol, the rejection rate of chlorogenic acid was changed by 70.27%. Through the response surface method for quadratic regression model, an interaction had been found in molecule weight cut-off, pH and ethanol volume percent. In fixed nanofiltration apparatus, the existence states of chlorogenic acid determinedits separation rules. With the increase of ethanol concentration, the free form chlorogenic acid was easily adsorbed, dissolved on membrane surface and then caused high transmittance due to the solution-diffusion effect. However, at the same time, due to the double effects of Donnan effect and solution-diffusion effect, the ionic state of chlorogenic acid was hard to be adsorbed in membrane surface and thus caused high rejection rate. The combination of Box-Behnken design and response surface analysis can well optimize the concentrate process by nanofiltration, and the results showed that nanofiltration had several big advantages over the traditional vacuum concentrate technology, meanwhile, and solved the problems of low efficiency and serious component lossesin the Chinese medicines separation process for low concentration organic solvent-water solution. Copyright© by the Chinese Pharmaceutical Association.

Concentration dependent carriers dynamics in CsPbBr3 perovskite nanocrystals film with transient grating

Science.gov (United States)

Wang, Yinghui; Wang, Yanting; Dev Verma, Sachin; Tan, Mingrui; Liu, Qinghui; Yuan, Qilin; Sui, Ning; Kang, Zhihui; Zhou, Qiang; Zhang, Han-Zhuang

2017-05-01

The concentration dependence of the carrier dynamics is a key parameter to describe the photo-physical properties of semiconductor films. Here, we investigate the carrier dynamics in the CsPbBr3 perovskite nanocrystal film by employing the transient grating (TG) technique with continuous bias light. The concentration of initial carriers is determined by the average number of photons per nanocrystals induced by pump light (⟨N⟩). The multi-body interaction would appear and accelerate the TG dynamics with ⟨N⟩. When ⟨N⟩ is more than 3.0, the TG dynamics slightly changes, which implies that the Auger recombination would be the highest order multi-body interaction in carrier recombination dynamics. The concentration of non-equilibrium carriers in the film is controlled by the average number of photons per nanocrystals excited by continuous bias light (⟨nne⟩). Increasing ⟨nne⟩ would improve the trapping-detrapping process by filling the trapping state, which would accelerate the carrier diffusion and add the complexity of the mono-molecular recombination mechanism. The results should be useful to further understand the mechanism of carrier dynamics in the CsPbBr3 perovskite nanocrystal film and of great importance for the operation of the corresponding optoelectronic devices.

D2O clusters isolated in rare-gas solids: Dependence of infrared spectrum on concentration, deposition rate, heating temperature, and matrix material

Science.gov (United States)

Shimazaki, Yoichi; Arakawa, Ichiro; Yamakawa, Koichiro

2018-04-01

The infrared absorption spectra of D2O monomers and clusters isolated in rare-gas matrices were systematically reinvestigated under the control of the following factors: the D2O concentration, deposition rate, heating temperature, and rare-gas species. We clearly show that the cluster-size distribution is dependent on not only the D2O concentration but also the deposition rate of a sample; as the rate got higher, smaller clusters were preferentially formed. Under the heating procedures at different temperatures, the cluster-size growth was successfully observed. Since the monomer diffusion was not enough to balance the changes in the column densities of the clusters, the dimer diffusion was likely to contribute the cluster growth. The frequencies of the bonded-OD stretches of (D2O)k with k = 2-6 were almost linearly correlated with the square root of the critical temperature of the matrix material. Additional absorption peaks of (D2O)2 and (D2O)3 in a Xe matrix were assigned to the species trapped in tight accommodation sites.

Effects of angular dependence of surface diffuseness in deformed nuclei on Coulomb barrier

International Nuclear Information System (INIS)

Adamian, G.G.; Antonenko, N.V.; Malov, L.A.; Scamps, G.; Lacroix, D.

2014-01-01

The angular dependence of surface diffuseness is further discussed. The results of self-consistent calculations are compared with those obtained with the phenomenological mean-field potential. The rather simple parametrizations are suggested. The effects of surface polarization and hexadecapole deformation on the height of the Coulomb barrier are revealed. (authors)

Diffusion Capillary Phantom vs. Human Data: Outcomes for Reconstruction Methods Depend on Evaluation Medium

Directory of Open Access Journals (Sweden)

Sarah D. Lichenstein

2016-09-01

Full Text Available Purpose: Diffusion MRI provides a non-invasive way of estimating structural connectivity in the brain. Many studies have used diffusion phantoms as benchmarks to assess the performance of different tractography reconstruction algorithms and assumed that the results can be applied to in vivo studies. Here we examined whether quality metrics derived from a common, publically available, diffusion phantom can reliably predict tractography performance in human white matter tissue. Material and Methods: We compared estimates of fiber length and fiber crossing among a simple tensor model (diffusion tensor imaging, a more complicated model (ball-and-sticks and model-free (diffusion spectrum imaging, generalized q-sampling imaging reconstruction methods using a capillary phantom and in vivo human data (N=14. Results: Our analysis showed that evaluation outcomes differ depending on whether they were obtained from phantom or human data. Specifically, the diffusion phantom favored a more complicated model over a simple tensor model or model-free methods for resolving crossing fibers. On the other hand, the human studies showed the opposite pattern of results, with the model-free methods being more advantageous than model-based methods or simple tensor models. This performance difference was consistent across several metrics, including estimating fiber length and resolving fiber crossings in established white matter pathways. Conclusions: These findings indicate that the construction of current capillary diffusion phantoms tends to favor complicated reconstruction models over a simple tensor model or model-free methods, whereas the in vivo data tends to produce opposite results. This brings into question the previous phantom-based evaluation approaches and suggests that a more realistic phantom or simulation is necessary to accurately predict the relative performance of different tractography reconstruction methods. Acronyms: BSM: ball-and-sticks model; d

Strain-dependent diffusion behavior of H within tungsten

International Nuclear Information System (INIS)

Ding, Wenyi; He, Haiyan; Liu, Changsong; Ding, Rui; Chen, Junling; Pan, Bicai

2014-01-01

The diffusion behaviors of H in tungsten, a promising material serving as the first wall facing the plasma in nuclear reactors, under either biaxial strain or isotropic strain are theoretically studied. We find that under the isotropic strain, an individual H atom may diffuse along all pathways, and under the biaxial strain, it preferably migrates along the direction perpendicular to the loaded strain. Moreover, in the case of either the isotropic or the biaxial strain, the loaded compressive strain weakens the diffusion of H, while the loaded tensile strain enhances the diffusion of H in bulk W.

Strain-dependent diffusion behavior of H within tungsten

Energy Technology Data Exchange (ETDEWEB)

Ding, Wenyi; He, Haiyan [Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Liu, Changsong [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, P.O. Box 1129, Hefei 230031 (China); Ding, Rui; Chen, Junling [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Pan, Bicai, E-mail: bcpan@ustc.edu.cn [Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Hefei National Laboratory for Physical Science at Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2014-06-15

The diffusion behaviors of H in tungsten, a promising material serving as the first wall facing the plasma in nuclear reactors, under either biaxial strain or isotropic strain are theoretically studied. We find that under the isotropic strain, an individual H atom may diffuse along all pathways, and under the biaxial strain, it preferably migrates along the direction perpendicular to the loaded strain. Moreover, in the case of either the isotropic or the biaxial strain, the loaded compressive strain weakens the diffusion of H, while the loaded tensile strain enhances the diffusion of H in bulk W.

Thermal neutron diffusion parameters dependent on the flux energy distribution in finite hydrogenous media

International Nuclear Information System (INIS)

Drozdowicz, K.

1999-01-01

Macroscopic parameters for a description of the thermal neutron transport in finite volumes are considered. A very good correspondence between the theoretical and experimental parameters of hydrogenous media is attained. Thermal neutrons in the medium possess an energy distribution, which is dependent on the size (characterized by the geometric buckling) and on the neutron transport properties of the medium. In a hydrogenous material the thermal neutron transport is dominated by the scattering cross section which is strongly dependent on energy. A monoenergetic treatment of the thermal neutron group (admissible for other materials) leads in this case to a discrepancy between theoretical and experimental results. In the present paper the theoretical definitions of the pulsed thermal neutron parameters (the absorption rate, the diffusion coefficient, and the diffusion cooling coefficient) are based on Nelkin's analysis of the decay of a neutron pulse. Problems of the experimental determination of these parameters for a hydrogenous medium are discussed. A theoretical calculation of the pulsed parameters requires knowledge of the scattering kernel. For thermal neutrons it is individual for each hydrogenous material because neutron scattering on hydrogen nuclei bound in a molecule is affected by the molecular dynamics (characterized with internal energy modes which are comparable to the incident neutron energy). Granada's synthetic model for slow-neutron scattering is used. The complete up-dated formalism of calculation of the energy transfer scattering kernel after this model is presented in the paper. An influence of some minor variants within the model on the calculated differential and integral neutron parameters is shown. The theoretical energy-dependent scattering cross section (of Plexiglas) is compared to experimental results. A particular attention is paid to the calculation of the diffusion cooling coefficient. A solution of an equation, which determines the

Cascade defect production and irradiation enhanced diffusion in Cu3Au

International Nuclear Information System (INIS)

Kirk, M.A.; Funk, L.L.

1986-03-01

By using the ordering alloy Cu 3 Au and measuring resistivity changes during and following fast-neutron irradiations at IPNS, we have studied cascade defect production and irradiation enhanced diffusion between 10 and 460 0 K. Ordering and disordering rates were measured as functions of irradiation temperature, neutron dose, neutron dose rate, time following cessation of flux, and step annealing. Free and clustered vacancy production was observed. The temperature dependence of the production of total migrating vacancy concentrations was determined. Vacancy sink production was linear with neutron dose and is compared with recent transmission electron microscopy experiments on the production of dislocation loops in this alloy. Time dependent and quasi-steady state vacancy concentrations were measured and compared with solutions of reaction rate equations for irradiation enhanced diffusion. The influence of recombination of vacancies with interstitials is observed at low sink concentrations (low neutron doses)

Recursive solutions for multi-group neutron kinetics diffusion equations in homogeneous three-dimensional rectangular domains with time dependent perturbations

Energy Technology Data Exchange (ETDEWEB)

Petersen, Claudio Z. [Universidade Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Bodmann, Bardo E.J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-graduacao em Engenharia Mecanica; Barros, Ricardo C. [Universidade do Estado do Rio de Janeiro, Nova Friburgo, RJ (Brazil). Inst. Politecnico

2014-12-15

In the present work we solve in analytical representation the three dimensional neutron kinetic diffusion problem in rectangular Cartesian geometry for homogeneous and bounded domains for any number of energy groups and precursor concentrations. The solution in analytical representation is constructed using a hierarchical procedure, i.e. the original problem is reduced to a problem previously solved by the authors making use of a combination of the spectral method and a recursive decomposition approach. Time dependent absorption cross sections of the thermal energy group are considered with step, ramp and Chebyshev polynomial variations. For these three cases, we present numerical results and discuss convergence properties and compare our results to those available in the literature.

Preliminary evaluation of optical glucose sensing in red cell concentrations using near-infrared diffuse-reflectance spectroscopy

Science.gov (United States)

Suzuki, Yusuke; Maruo, Katsuhiko; Zhang, Alice W.; Shimogaki, Kazushige; Ogawa, Hideto; Hirayama, Fumiya

2012-01-01

Bacterial contamination of blood products is one of the most frequent infectious complications of transfusion. Since glucose levels in blood supplies decrease as bacteria proliferate, it should be possible to detect the presence of bacterial contamination by measuring the glucose concentrations in the blood components. Hence this study is aimed to serve as a preliminary study for the nondestructive measurement of glucose level in transfusion blood. The glucose concentrations in red blood cell (RBC) samples were predicted using near-infrared diffuse-reflectance spectroscopy in the 1350 to 1850 nm wavelength region. Furthermore, the effects of donor, hematocrit level, and temperature variations among the RBC samples were observed. Results showed that the prediction performance of a dataset which contained samples that differed in all three parameters had a standard error of 29.3 mg/dL. Multiplicative scatter correction (MSC) preprocessing method was also found to be effective in minimizing the variations in scattering patterns created by various sample properties. The results suggest that the diffuse-reflectance spectroscopy may provide another avenue for the detection of bacterial contamination in red cell concentrations (RCC) products.

A rationalization of the Type IV loading dependence in the Kärger-Pfeifer classification of self-diffusivities

NARCIS (Netherlands)

Krishna, R.; van Baten, J.M.

2011-01-01

Kärger and Pfeifer (1987) [1] have listed five different types of dependencies of the self-diffusivities, Di,self, on the loading, Θi, of guest molecules in zeolites. Of these five types, the Type IV dependence is particularly intriguing because it displays a maximum in the Di,self − Θi dependence

Effects of Hyporheic Water Fluxes and Sediment Grain Size on the Concentration and Diffusive Flux of Heavy Metals in the Streambed.

Science.gov (United States)

Liu, Qi; Song, Jinxi; Zhang, Guotao; Wang, Weize; Guo, Weiqiang; Tang, Bin; Kong, Feihe; Huo, Aidi

2017-09-06

The hyporheic zone regulates physicochemical processes in surface-groundwater systems and can be an important source of heavy metals in fluvial systems. This study assesses the pore water concentrations and diffusive fluxes of heavy metals with respect to the vertical water exchange flux (VWEF) and sediment grain size. Water and sediment samples were collected on August 2016 from upstream Site 1 and downstream Site 2 along the Juehe River in Shaanxi Province, China. Streambed vertical hydraulic conductivity (Kv) and the VWEF were estimated via the standpipe permeameter test method and Darcy's law. The heavy metal concentrations in the pore water were measured and the diffusive fluxes were calculated using Fick's first law. The VWEF patterns were dominated by upward flow, and Site 1 featured higher values of Kv and VWEF. Higher Cu and Zn concentrations occurred near the channel centre with coarse sand and gravel and greater upward VWEFs because coarser sediment and greater upward VWEFs cause stronger metal desorption capacity. Additionally, Cu and Zn at the two sites generally diffused from pore water to surface water, potentially due to the upward VWEF. The VWEF and sediment grain size are likely crucial factors influencing the heavy metal concentrations and diffusive fluxes.

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

Science.gov (United States)

Urtizberea, A; Hirtz, M

2015-10-14

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

Finite difference solution of the time dependent neutron group diffusion equations

International Nuclear Information System (INIS)

Hendricks, J.S.; Henry, A.F.

1975-08-01

In this thesis two unrelated topics of reactor physics are examined: the prompt jump approximation and alternating direction checkerboard methods. In the prompt jump approximation it is assumed that the prompt and delayed neutrons in a nuclear reactor may be described mathematically as being instantaneously in equilibrium with each other. This approximation is applied to the spatially dependent neutron diffusion theory reactor kinetics model. Alternating direction checkerboard methods are a family of finite difference alternating direction methods which may be used to solve the multigroup, multidimension, time-dependent neutron diffusion equations. The reactor mesh grid is not swept line by line or point by point as in implicit or explicit alternating direction methods; instead, the reactor mesh grid may be thought of as a checkerboard in which all the ''red squares'' and '' black squares'' are treated successively. Two members of this family of methods, the ADC and NSADC methods, are at least as good as other alternating direction methods. It has been found that the accuracy of implicit and explicit alternating direction methods can be greatly improved by the application of an exponential transformation. This transformation is incompatible with checkerboard methods. Therefore, a new formulation of the exponential transformation has been developed which is compatible with checkerboard methods and at least as good as the former transformation for other alternating direction methods

Charged Particle Diffusion in Isotropic Random Magnetic Fields

Energy Technology Data Exchange (ETDEWEB)

Subedi, P.; Matthaeus, W. H.; Chuychai, P.; Parashar, T. N.; Chhiber, R. [Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716 (United States); Sonsrettee, W. [Faculty of Engineering and Technology, Panyapiwat Institute of Management, Nonthaburi 11120 (Thailand); Blasi, P. [INAF/Osservatorio Astrofisico di Arcetri, Largo E. Fermi, 5—I-50125 Firenze (Italy); Ruffolo, D. [Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400 (Thailand); Montgomery, D. [Department of Physics and Astronomy, Dartmouth College, Hanover, NH 03755 (United States); Dmitruk, P. [Departamento de Física Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires Ciudad Universitaria, 1428 Buenos Aires (Argentina); Wan, M. [Department of Mechanics and Aerospace Engineering, Southern University of Science and Technology, Shenzhen, Guangdong 518055 (China)

2017-03-10

The investigation of the diffusive transport of charged particles in a turbulent magnetic field remains a subject of considerable interest. Research has most frequently concentrated on determining the diffusion coefficient in the presence of a mean magnetic field. Here we consider the diffusion of charged particles in fully three-dimensional isotropic turbulent magnetic fields with no mean field, which may be pertinent to many astrophysical situations. We identify different ranges of particle energy depending upon the ratio of Larmor radius to the characteristic outer length scale of turbulence. Two different theoretical models are proposed to calculate the diffusion coefficient, each applicable to a distinct range of particle energies. The theoretical results are compared to those from computer simulations, showing good agreement.

Effects of diffuse light on radiation use efficiency depend on the response of stomatal conductance to dynamic light intensity

Directory of Open Access Journals (Sweden)

Tao eLi

2016-02-01

Full Text Available The stimulating effect of diffuse light on radiation use efficiency (RUE of crops is often explained by the more homogeneous spatial light distribution, while rarely considering differences in temporal light distribution at leaf level. This study investigated whether diffuse light effects on crop RUE can be explained by dynamic responses of leaf photosynthesis to temporal changes of photosynthetic photon flux density (PPFD.Two Anthurium andreanum cultivars (‘Pink Champion’ and ‘Royal Champion’ were grown in two glasshouses covered by clear (control and diffuse glass, with similar light transmission. On clear days, diffusing the light resulted in less temporal fluctuations of PPFD. Stomatal conductance (gs varied strongly in response to transient PPFD in ‘Royal Champion’, whereas it remained relatively constant in ‘Pink Champion’. Instantaneous net leaf photosynthesis (Pn in both cultivars approached steady state Pn in diffuse light treatment. In control treatment this only occurred in ‘Pink Champion’. These cultivar differences were reflected by a higher RUE (8% in ‘Royal Champion’ in diffuse light treatment compared with control, whereas no effect on RUE was observed in ‘Pink Champion’. We conclude that the stimulating effect of diffuse light on RUE depends on the stomatal response to temporal PPFD fluctuations, which response is cultivar dependent.

SYNTH-C, Steady-State and Time-Dependent 3-D Neutron Diffusion with Thermohydraulic Feedback

Energy Technology Data Exchange (ETDEWEB)

Brega, E [ENEL-CRTN, Bastioni di Porta Volta 10, Milan (Italy); Salina, E [A.R.S. Spa, Viale Maino 35, Milan (Italy)

1980-04-01

1 - Description of problem or function: SYNTH-C-STEADY and SYNTH-C- TRANS solve respectively the steady-state and time-dependent few- group neutron diffusion equations in three dimensions x,y,z in the presence of fuel temperature and thermal-hydraulic feedback. The neutron diffusion and delayed precursor equations are approximated by a space-time (z,t) synthesis method with axially discontinuous trial functions. Three thermal-hydraulic and fuel heat transfer models are available viz. COBRA-3C/MIT model, lumped parameter (WIGL) model and adiabatic fuel heat-up model. 2 - Method of solution: The steady-state and time-dependent synthesis equations are solved respectively by the Wielandt's power method and by the theta-difference method (in time), both coupled with a block factorization technique and double precision arithmetic. The thermal-hydraulic model equations are solved by fully implicit finite differences (WIGL) or explicit-implicit difference techniques with iterations (COBRA-EC/MIT). 3 - Restrictions on the complexity of the problem: Except for the few- group limitation, the programs have no other fixed limitation so the ability to run a problem depends only on the available computer storage.

Solution of the atmospheric diffusion equation with a realistic diffusion coefficient and time dependent mixing height

International Nuclear Information System (INIS)

Mayhoub, A.B.; Etman, S.M.

1997-01-01

One dimensional model for the dispersion of a passive atmospheric contaminant (neglecting chemical reactions) in the atmospheric boundary layer is introduced. The differential equation representing the dispersion of pollutants is solved on the basis of gradient-transfer theory (K- theory). The present approach deals with a more appropriate and realistic profile for the diffusion coefficient K, which is expressed in terms of the friction velocity U, the vertical coordinate z and the depth of the mixing layer h, which is taken time dependent. After some mathematical simplification, the equation analytic obtained solution can be easily applied to case study concerning atmospheric dispersion of pollutants

Lie Symmetry of the Diffusive Lotka–Volterra System with Time-Dependent Coefficients

Directory of Open Access Journals (Sweden)

Vasyl’ Davydovych

2018-02-01

Full Text Available Lie symmetry classification of the diffusive Lotka–Volterra system with time-dependent coefficients in the case of a single space variable is studied. A set of such symmetries in an explicit form is constructed. A nontrivial ansatz reducing the Lotka–Volterra system with correctly-specified coefficients to the system of ordinary differential equations (ODEs and an example of the exact solution with a biological interpretation are found.

Valence and atomic size dependent exchange barriers in vacancy-mediated dopant diffusion

International Nuclear Information System (INIS)

Nelson, J.S.; Schultz, P.A.; Wright, A.F.

1998-01-01

First-principles pseudopotential calculations of dopant-vacancy exchange barriers indicate a strong dependency on dopant valence and atomic size, in contrast to current models of vacancy-mediated dopant diffusion. First-row elements (B, C, N) are found to have exchange barriers which are an order of magnitude larger than the assumed value of 0.3 eV (the Si vacancy migration energy). copyright 1998 American Institute of Physics

Diffusion in ordered Fe-Si alloys

International Nuclear Information System (INIS)

Sepiol, B.; Vogl, G.

1995-01-01

The measurement of the diffusional Moessbauer line broadening in single crystalline samples at high temperatures provides microscopic information about atomic jumps. We can separate jumps of iron atoms between the various sublattices of Fe-Si intermetallic alloys (D0 3 structure) and measure their frequencies. The diffusion of iron in Fe-Si samples with Fe concentrations between 75 and 82 at% shows a drastic composition dependence: the jump frequency and the proportion between jumps on Fe sublattices and into antistructure (Si) sublattice positions change greatly. Close to Fe 3 Si stoichiometry iron diffusion is extremely fast and jumps are performed exclusively between the three Fe sublattices. The change in the diffusion process when changing the alloy composition from stoichiometric Fe 3 Si to the iron-rich side is discussed. (orig.)

Diffusion-induced bending of thin sheet couples : theory and experiments in Ti-Zr system

OpenAIRE

Daruka, I.; Szabo, I.A.; Beke, D.L.; Cserhati, C.; Kodentsov, A.; Loo, van, F.J.J.

1996-01-01

Numerical and analytical calculations of concentration and stress distributions of thin-sheet diffusion couples have been carried out as well as the time dependence of the Kirkendall shift, xk, and the curvature has also been determined. It is shown that the concentration distribution is not sensitive to the boundary conditions (bent and planar, constrained, samples) and is influenced mainly by the feeding back effects of stresses (described by the stress term in the genealized diffusion pote...

Marangoni convection in Casson liquid flow due to an infinite disk with exponential space dependent heat source and cross-diffusion effects

Science.gov (United States)

Mahanthesh, B.; Gireesha, B. J.; Shashikumar, N. S.; Hayat, T.; Alsaedi, A.

2018-06-01

Present work aims to investigate the features of the exponential space dependent heat source (ESHS) and cross-diffusion effects in Marangoni convective heat mass transfer flow due to an infinite disk. Flow analysis is comprised with magnetohydrodynamics (MHD). The effects of Joule heating, viscous dissipation and solar radiation are also utilized. The thermal and solute field on the disk surface varies in a quadratic manner. The ordinary differential equations have been obtained by utilizing Von Kármán transformations. The resulting problem under consideration is solved numerically via Runge-Kutta-Fehlberg based shooting scheme. The effects of involved pertinent flow parameters are explored by graphical illustrations. Results point out that the ESHS effect dominates thermal dependent heat source effect on thermal boundary layer growth. The concentration and temperature distributions and their associated layer thicknesses are enhanced by Marangoni effect.

Bicarbonate diffusion through mucus.

Science.gov (United States)

Livingston, E H; Miller, J; Engel, E

1995-09-01

The mucus layer overlying duodenal epithelium maintains a pH gradient against high luminal acid concentrations. Despite these adverse conditions, epithelial surface pH remains close to neutrality. The exact nature of the gradient-forming barrier remains unknown. The barrier consists of mucus into which HCO3- is secreted. Quantification of the ability of HCO3- to establish and maintain the gradient depends on accurate measurement of this ion's diffusion coefficient through mucus. We describe new experimental and mathematical methods for diffusion measurement and report diffusion coefficients for HCO3- diffusion through saline, 5% mucin solutions, and rat duodenal mucus. The diffusion coefficients were 20.2 +/- 0.10, 3.02 +/- 0.31, and 1.81 +/- 0.12 x 10(-6) cm2/s, respectively. Modeling of the mucobicarbonate layer with this latter value suggests that for conditions of high luminal acid strength the neutralization of acid by HCO3- occurs just above the epithelial surface. Under these conditions the model predicts that fluid convection toward the lumen could be important in maintaining the pH gradient. In support of this hypothesis we were able to demonstrate a net luminal fluid flux of 5 microliters.min-1.cm-2 after perfusion of 0.15 N HCl in the rat duodenum.

Measurement of methanol diffusion coefficient in polymer electrode membrane by small NMR sensor. 1st report. Development of method of measure methanol diffusion coefficient and evaluation of measured results

International Nuclear Information System (INIS)

Ogawa, Kuniyasu; Haishi, Tomoyuki; Ito, Kohei

2010-01-01

A method for measuring the diffusion coefficient of methanol in a polymer electrolyte membrane (PEM) was developed using the NMR method. A circular coil of 0.6mm inside diameter was used as a small NMR sensor. The PEM was inserted in a penetration cell, where methanol solvent is supplied to one side of the PEM and nitrogen gas is supplied to the other side of the PEM. The small NMR sensor was placed on the nitrogen gas side of the PEM. The small NMR sensor detects the NMR signal from the methanol solvent which permeates the PEM. The CH and OH components of the methanol solvent were obtained from the NMR signal by spectral analysis. The methanol concentration in the PEM was determined by the ratio of CH to OH components. The methanol concentration was acquired at intervals of 30s and was measured for 2000s. After 1500 seconds, the methanol concentration in the PEM reaches a steady state. The final methanol concentration was about 20% of the methanol concentration of the solvent. It assumed that the diffusion phenomenon of methanol in a PEM was a one-dimensional transport phenomenon, and the time-dependent change of methanol concentration was analyzed by parameterizing the diffusion coefficient. The diffusion coefficient of methanol in a PEM was determined by comparison with the measurement result of the time change of methanol concentration and the analysis results. The concentration difference diffusion coefficient of methanol in PEM obtained using this method was 3.5 * 10 -10 m 2 /s. (author)

Analysis of diffusivity of the oscillating reaction components in a microreactor system

Directory of Open Access Journals (Sweden)

Martina Šafranko

2017-01-01

Full Text Available When performing oscillating reactions, periodical changes in the concentrations of reactants, intermediaries, and products take place. Due to the mentioned periodical changes of the concentrations, the information about the diffusivity of the components included into oscillating reactions is very important for the control of the oscillating reactions. Non-linear dynamics makes oscillating reactions very interesting for analysis in different reactor systems. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor, with the aim of identifying the limiting component. The geometry of the microreactor microchannel and a well defined flow profile ensure optimal conditions for the diffusion phenomena analysis, because diffusion profiles in a microreactor depend only on the residence time. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor equipped with 2 Y-shape inlets and 2 Y-shape outlets, with active volume of V = 4 μL at different residence times.

Effect of nitrogen concentration on temperature dependent mechanical properties of vanadium

International Nuclear Information System (INIS)

Carlson, O.N.; Rehbein, D.K.

1979-01-01

The critical resolved shear stress and strain rate sensitivity of vanadium were determined for vanadium-nitrogen alloys over the temperature range of 77K to 400K for concentrations of 1 to 500 wt ppm nitrogen. The concentration dependence of the hardening rate agrees quite well with either the Fleischer or Labusch strengthening model but the combined temperature and concentration dependence follows more closely the form predicted by Ono and Sommer. The strain rate sensitivity exhibits a peak at 140K which decreases with increasing nitrogen content but above 250K there is a reversal in this effect. (orig.) [de

Diffusion-induced bending of thin sheet couples : theory and experiments in Ti-Zr system

NARCIS (Netherlands)

Daruka, I.; Szabo, I.A.; Beke, D.L.; Cserhati, C.; Kodentsov, A.; Loo, van F.J.J.

1996-01-01

Numerical and analytical calculations of concentration and stress distributions of thin-sheet diffusion couples have been carried out as well as the time dependence of the Kirkendall shift, xk, and the curvature has also been determined. It is shown that the concentration distribution is not

Finite Volume Scheme for Double Convection-Diffusion Exchange of Solutes in Bicarbonate High-Flux Hollow-Fiber Dialyzer Therapy

Directory of Open Access Journals (Sweden)

Kodwo Annan

2012-01-01

Full Text Available The efficiency of a high-flux dialyzer in terms of buffering and toxic solute removal largely depends on the ability to use convection-diffusion mechanism inside the membrane. A two-dimensional transient convection-diffusion model coupled with acid-base correction term was developed. A finite volume technique was used to discretize the model and to numerically simulate it using MATLAB software tool. We observed that small solute concentration gradients peaked and were large enough to activate solute diffusion process in the membrane. While CO2 concentration gradients diminished from their maxima and shifted toward the end of the membrane, concentration gradients peaked at the same position. Also, CO2 concentration decreased rapidly within the first 47 minutes while optimal concentration was achieved within 30 minutes of the therapy. Abnormally high diffusion fluxes were observed near the blood-membrane interface that increased diffusion driving force and enhanced the overall diffusive process. While convective flux dominated total flux during the dialysis session, there was a continuous interference between convection and diffusion fluxes that call for the need to seek minimal interference between these two mechanisms. This is critical for the effective design and operation of high-flux dialyzers.

Dependency of soil activity concentration on soil -biota concentration ratio of radionuclides for earthworm

Energy Technology Data Exchange (ETDEWEB)

Keum, Dong Kwon; Kim, Byeong Ho; Jun, In; Lim, Kwang Muk; Choi, Yong Ho [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-05-15

The transfer of radionuclides to wildlife (non-human biota) is normally quantified using an equilibrium concentration ratio (CR{sub eq}), defined as the radionuclide activity concentration in the whole organism (fresh weight) divided by that in the media (dry weight for soil). The present study describes the effect of soil radionuclide activity concentration on the transfer of {sup 137}Cs, {sup 85}Sr and {sup 65}Zn to a functionally important wildlife group, annelids, using a commonly studied experimental worm (E.andrei). Time-dependent whole body concentration ratios of {sup 137}Cs, {sup 85}Sr and {sup 65}Zn for the earthworm were experimentally measured for artificially contaminated soils with three different activity concentrations for each radionuclide which were considerably higher than normal background levels. Two parameters of a first order kinetic model, the equilibrium concentration ratio (CR{sub eq}) and the effective loss rate constant (k), were estimated by comparison of experimental CR results with the model prediction

Auto-correlation of velocity-fluctuations and frequency-dependent diffusion constant for hot electrons

International Nuclear Information System (INIS)

Roy, M.D.; Nag, B.R.

1981-01-01

A method has been developed for determining the auto-correlation functions of the fluctuations in the transverse and the parallel components of hot carrier-velocity in a semiconductor by Monte Carlo simulation. The functions for electrons in InSb are determined by this method for applied electric fields of 50 V/cm, 75 V/cm, and 100 V/cm. With increasing value of the time interval the transverse auto-correlation function fall nearly exponentially to zero, but the parallel function falls sharply to a negative peak, then rises to positive values and finally becomes zero. The interval beyond which the auto-correlation function is zero and the correlation time are also evaluated. The correlation time is found to be approximately 1.6 times the relaxation time calculated from the chord mobility. The effect of the flight sampling time on the value of variance of the displacement, is investigated in terms of the low frequency diffusion constants, determined from the variation of the correlation functions. It is found that the diffusion constants become independent of the sampling time if it is of the order of one hundred times the relaxation time. The frequency-dependent diffusion constants are calculated from the correlation functions. The transverse diffusion constant falls monotonically with frequency for all the field strengths studied. The parallel diffusion constant has similar variation for the lower fields (50 V/cm and 75 V/cm) but it has a peak at about 44 GHz for the field of 100 V/cm. (orig.)

On Diffusion and Permeation

KAUST Repository

Peppin, Stephen S. L.

2009-01-01

Diffusion and permeation are discussed within the context of irreversible thermodynamics. A new expression for the generalized Stokes-Einstein equation is obtained which links the permeability to the diffusivity of a two-component solution and contains the poroelastic Biot-Willis coefficient. The theory is illustrated by predicting the concentration and pressure profiles during the filtration of a protein solution. At low concentrations the proteins diffuse independently while at higher concentrations they form a nearly rigid porous glass through which the fluid permeates. The theoretically determined pressure drop is nonlinear in the diffusion regime and linear in the permeation regime, in quantitative agreement with experimental measurements. © 2009 Walter de Gruyter, Berlin, New York.

Effect of Diffusion Limitations on Multianalyte Determination from Biased Biosensor Response

Science.gov (United States)

Baronas, Romas; Kulys, Juozas; Lančinskas, Algirdas; Žilinskas, Antanas

2014-01-01

The optimization-based quantitative determination of multianalyte concentrations from biased biosensor responses is investigated under internal and external diffusion-limited conditions. A computational model of a biocatalytic amperometric biosensor utilizing a mono-enzyme-catalyzed (nonspecific) competitive conversion of two substrates was used to generate pseudo-experimental responses to mixtures of compounds. The influence of possible perturbations of the biosensor signal, due to a white noise- and temperature-induced trend, on the precision of the concentration determination has been investigated for different configurations of the biosensor operation. The optimization method was found to be suitable and accurate enough for the quantitative determination of the concentrations of the compounds from a given biosensor transient response. The computational experiments showed a complex dependence of the precision of the concentration estimation on the relative thickness of the outer diffusion layer, as well as on whether the biosensor operates under diffusion- or kinetics-limited conditions. When the biosensor response is affected by the induced exponential trend, the duration of the biosensor action can be optimized for increasing the accuracy of the quantitative analysis. PMID:24608006

Erbium diffusion in titanium dioxide

Directory of Open Access Journals (Sweden)

Louise Basse

2017-04-01

Full Text Available The diffusivity of erbium in the anatase phase of titanium dioxide (TiO2 has been studied for various temperatures ranging from 800 °C to 1, 000 °C. Samples of TiO2, with a 10 nm thick buried layer containing 0.5 at% erbium, were fabricated by radio-frequency magnetron sputtering and subsequently heat treated. The erbium concentration profiles were measured by secondary ion mass spectrometry, allowing for determination of the temperature-dependent diffusion coefficients. These were found to follow an Arrhenius law with an activation energy of ( 2.1 ± 0.2 eV. X-ray diffraction revealed that the TiO2 films consisted of polycrystalline grains of size ≈ 100 nm.

Diffusion characteristics in the Cu-Ti system

Energy Technology Data Exchange (ETDEWEB)

Laik, Arijit; Kale, Gajanan Balaji [Bhabha Atomic Reseach Centre, Mumbai (India). Materials Science Div.; Bhanumurthy, Karanam [Bhabha Atomic Reseach Centre, Mumbai (India). Scientific Information Resource Div.; Kashyap, Bhagwati Prasad [Indian Institute of Technology Bombay, Mumbai (India). Dept. of Metallurgical Engineering

2012-06-15

The formation and growth of intermetallic compounds by diffusion reaction of Cu and Ti were investigated in the temperature range 720 - 860 C using bulk diffusion couples. Only four, out of the seven stable intermediate compounds of the Cu-Ti system, were formed in the diffusion reaction zone in the sequence CuTi, Cu{sub 4}Ti, Cu{sub 4}Ti{sub 3} and CuTi{sub 2}. The activation energies required for the growth of these compounds were determined. The diffusion characteristics of Cu{sub 4}Ti, CuTi and Cu{sub 4}Ti{sub 3} and Cu(Ti) solid solution were evaluated. The activation energies for diffusion in these compounds were 192.2, 187.7 and 209.2 kJ mol{sup -1} respectively, while in Cu(Ti), the activation energy increased linearly from 201.0 kJ mol{sup -1} to 247.5 kJ mol{sup -1} with increasing concentration of Ti, in the range 0.5 - 4.0 at.%. The impurity diffusion coefficient of Ti in Cu and its temperature dependence were also estimated. A correlation between the impurity diffusion parameters for several elements in Cu matrix has been established. (orig.)

Temperature dependence of electron concentration in cadmium arsenide

NARCIS (Netherlands)

Gelten, M.J.; Blom, F.A.P.

1979-01-01

From measurements of the temperature dependence of the electron concentration in Cd 3 As 2 , we found values for the conduction-band parameters that are in good agreement with those recently reported by Aubin, Caron, and Jay-Gerin. However, in contrast with these authors we found no small overlap,

Laser interferometric method for determining the carrier diffusion length in semiconductors

Energy Technology Data Exchange (ETDEWEB)

Manukhov, V. V. [Saint Petersburg State University (Russian Federation); Fedortsov, A. B.; Ivanov, A. S., E-mail: ivaleks58@gmail.com [Saint Petersburg Mining University (Russian Federation)

2015-09-15

A new laser interferometric method for measuring the carrier diffusion length in semiconductors is proposed. The method is based on the interference–absorption interaction of two laser radiations in a semiconductor. Injected radiation generates additional carriers in a semiconductor, which causes a change in the material’s optical constants and modulation of the probing radiation passed through the sample. When changing the distance between carrier generation and probing points, a decrease in the carrier concentration, which depends on the diffusion length, is recorded. The diffusion length is determined by comparing the experimental and theoretical dependences of the probe signal on the divergence of the injector and probe beams. The method is successfully tested on semiconductor samples with different thicknesses and surface states and can be used in scientific research and the electronics industry.

Study of uranium-titanium diffusion; Etude de la diffusion uranium-titane

Energy Technology Data Exchange (ETDEWEB)

Adda, Y; Philibert, J [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires; Institut de Recherches de la Siderurgie Francaise (IRSID), 78 - Saint-Germain-en-Laye (France)

1959-07-01

In the overall scheme of research on the chemical diffusion of uranium and the transition metals we have studied the uranium-titanium system. The diffusion couples are prepared by welding together small plates of uranium and titanium under pressure, using a technique already described by us. After diffusion under vacuum, polished sections of the samples were micro-graphically examined. This inspection showed that intergranular diffusion occurred at temperatures below 650 deg. C. At higher temperatures, the diffusion occurred uniquely throughout the volume of the metal, and the diffusion zone appeared as a succession of micro-graphically distinguishable bands. Study of the rate of increase of these corresponding 'penetration coefficients'. In addition, we have observed important variations in microhardness within the diffusion zone, we have tried to relate these variations to the variation of concentration. This is measured with the Castaing microprobe. We have thus accurately established the concentration-penetration curves for temperatures between 950 and 1075 deg. C. From these curves, we have calculated the diffusion coefficient D as a function of the concentration using Matano's method. At all temperatures, D(c) curve has a U form as for the U-Zr system. The activation energy has a maximum value of 42 kcal/g atom at an atomic concentration of 0,5. Even though we have rarely seen pores in the diffusion zone, we have nevertheless observed an important Kirkendall-effect by studying the displacements x{sub i} of the interface using tungsten wires as markers. These displacements can be expressed as a function of time and temperature by the equation: x{sub i} = 0,9 t {sup 1/2} exp ( - 14600/(RT)). Finally, using Darken's equations we calculated the intrinsic diffusion coefficients Du and Dti as well as the corresponding activation energies. These energies are similar (QU = 38,5 and QTi = 40 kcal/at. g) and also almost the same as those found for the U-Zr system

Analytic solutions to linear, time-dependent fission product deposition models for isothermal laminar, slug, or multiregion flow conditions

International Nuclear Information System (INIS)

Durkee, J.W. Jr.

1983-01-01

The time-dependent convective-diffusion equation with radioactive decay is solved analytically in axisymmetric cylindrical geometry for laminar and slug velocity profiles under isothermal conditions. Concentration dependent diffusion is neglected. The laminar flow solution is derived using the method of separation of variables and Frobenius' technique for constructing a series expansion about a regular singular point. The slug flow multiregion solution is obtained using the method of separation of variables. The Davidon Variable Metric Minimization algorithm is used to compute the coupling coefficients. These solutions, which describe the transport of fission products in a flowing stream, are then used to determine the concentration of radioactive material deposited on a conduit wall using a standard mass transfer model. Fission product deposition measurements for five diffusion tubes in a Fort St. Vrain High-Temperature Gas-Cooled reactor plateout probe are analyzed. Using single region slug and laminar models, the wall mass transfer coefficients, diffusion coefficients, and inlet concentrations are determined using least squares analysis. The diffusion coefficients and inlet concentrations are consistent between tubes. The derived diffusion coefficients and wall mass transfer coefficients are in relative agreement with known literature values

Rapid nickel diffusion in cold-worked carbon steel at 320-450 °C

Science.gov (United States)

Arioka, Koji; Iijima, Yoshiaki; Miyamoto, Tomoki

2015-11-01

The diffusion coefficient of nickel in cold-worked carbon steel was determined with the diffusion couple method in the temperature range between 320 and 450 °C. Diffusion couple was prepared by electro-less nickel plating on the surface of a 20% cold-worked carbon steel. The growth in width of the interdiffusion zone was proportional to the square root of diffusion time to 12,000 h. The diffusion coefficient (DNi) of nickel in cold-worked carbon steel was determined by extrapolating the concentration-dependent interdiffusion coefficient to 0% of nickel. The temperature dependence of DNi is expressed by DNi = (4.5 + 5.7/-2.5) × 10-11 exp (-146 ± 4 kJ mol-1/RT) m2s-1. The value of DNi at 320 °C is four orders of magnitude higher than the lattice diffusion coefficient of nickel in iron. The activation energy 146 kJ mol-1 is 54% of the activation energy 270.4 kJ mol-1 for lattice diffusion of nickel in the ferromagnetic state iron.

Concentration-dependent effects of fullerenol on cultured hippocampal neuron viability

Directory of Open Access Journals (Sweden)

Zha YY

2012-06-01

Full Text Available Ying-ying Zha,1 Bo Yang,1 Ming-liang Tang,2 Qiu-chen Guo,1 Ju-tao Chen,1 Long-ping Wen,3 Ming Wang11CAS Key Laboratory of Brain Function and Disease, School of Life Sciences, University of Science and Technology of China, Hefei, 2Suzhou Institute of NanoTech and NanoBionics, Chinese Academy of Sciences, Suzhou, 3Laboratory of Nano-biology, School of Life Sciences, University of Science and Technology of China, Hefei, People's Republic of ChinaBackground: Recent studies have shown that the biological actions and toxicity of the water-soluble compound, polyhydroxyfullerene (fullerenol, are related to the concentrations present at a particular site of action. This study investigated the effects of different concentrations of fullerenol on cultured rat hippocampal neurons.Methods and results: Fullerenol at low concentrations significantly enhanced hippocampal neuron viability as tested by MTT assay and Hoechst 33342/propidium iodide double stain detection. At high concentrations, fullerenol induced apoptosis confirmed by Comet assay and assessment of caspase proteins.Conclusion: These findings suggest that fullerenol promotes cell death and protects against cell damage, depending on the concentration present. The concentration-dependent effects of fullerenol were mainly due to its influence on the reduction-oxidation pathway.Keywords: fullerenol, nanomaterial, neurotoxicity, neuroprotection, hippocampal neuron

Numerical method for solving the three-dimensional time-dependent neutron diffusion equation

International Nuclear Information System (INIS)

Khaled, S.M.; Szatmary, Z.

2005-01-01

A numerical time-implicit method has been developed for solving the coupled three-dimensional time-dependent multi-group neutron diffusion and delayed neutron precursor equations. The numerical stability of the implicit computation scheme and the convergence of the iterative associated processes have been evaluated. The computational scheme requires the solution of large linear systems at each time step. For this purpose, the point over-relaxation Gauss-Seidel method was chosen. A new scheme was introduced instead of the usual source iteration scheme. (author)

Path dependence, fragmented property rights and the slow diffusion of high throughput technologies in inter-war British coal mining

Energy Technology Data Exchange (ETDEWEB)

Peter Scott

2006-01-15

This article examines the importance of path dependence effects in impeding the diffusion of high throughput mechanized mining systems in the British coal industry. It demonstrates that the industry had become 'locked in' to low throughput underground haulage technology, on account of institutional interrelatedness between Britain's traditional practice of extensive in-seam mining and its unique system of fragmented, privately owned mineral royalties. Fragmented royalties prevented the concentration of workings and introduction of high throughput main haulage systems that underpinned the rapid productivity growth of European producers. Meanwhile, technical interrelatedness between the haulage systems taking coal to the pit shaft and operations further 'upstream' created bottlenecks which both slowed the overall rate of mechanization and limited the productivity gains from the mechanization that did occur.

Diffusing diffusivity: Rotational diffusion in two and three dimensions

Science.gov (United States)

Jain, Rohit; Sebastian, K. L.

2017-06-01

We consider the problem of calculating the probability distribution function (pdf) of angular displacement for rotational diffusion in a crowded, rearranging medium. We use the diffusing diffusivity model and following our previous work on translational diffusion [R. Jain and K. L. Sebastian, J. Phys. Chem. B 120, 3988 (2016)], we show that the problem can be reduced to that of calculating the survival probability of a particle undergoing Brownian motion, in the presence of a sink. We use the approach to calculate the pdf for the rotational motion in two and three dimensions. We also propose new dimensionless, time dependent parameters, αr o t ,2 D and αr o t ,3 D, which can be used to analyze the experimental/simulation data to find the extent of deviation from the normal behavior, i.e., constant diffusivity, and obtain explicit analytical expressions for them, within our model.

Diffusion of 99TcO4- in compacted bentonite: Effect of pH, concentration, density and contact time

International Nuclear Information System (INIS)

Xiangke Wang; Forschungszentrum Karlsruhe; Zuyi Tao

2004-01-01

In order to assess radionuclide diffusion and transport properties in compacted bentonite, the 'in-diffusion' method based on bentonite filled capillaries is used. The effect of 99 TcO 4 - concentration and pH value of the solution, the contact time and the dry density of compacted bentonite on the apparent diffusion coefficient (D a ) and on the distribution coefficient (K d ) values obtained from the capillary test was studied. The D a and K d values decrease with increasing of the bulk dry density of compacted bentonite. Ion exclusion influences the diffusion of 99 TcO 4 - 4 in the same substance. As compared to literature data, the K d values obtained from capillary tests are in most cases lower than those from batch tests, the difference between the two K d values is a strong function of dry density of the compacted bentonite. (author)

Assessment of GABARAP self-association by its diffusion properties

International Nuclear Information System (INIS)

Pacheco, Victor; Ma Peixiang; Thielmann, Yvonne; Hartmann, Rudolf; Weiergraeber, Oliver H.; Mohrlueder, Jeannine; Willbold, Dieter

2010-01-01

Gamma-aminobutyric acid type A receptor-associated protein (GABARAP) belongs to a family of small ubiquitin-like adaptor proteins implicated in intracellular vesicle trafficking and autophagy. We have used diffusion-ordered nuclear magnetic resonance spectroscopy to study the temperature and concentration dependence of the diffusion properties of GABARAP. Our data suggest the presence of distinct conformational states and provide support for self-association of GABARAP molecules. Assuming a monomer-dimer equilibrium, a temperature-dependent dissociation constant could be derived. Based on a temperature series of 1 H 15 N heteronuclear single quantum coherence nuclear magnetic resonance spectra, we propose residues potentially involved in GABARAP self-interaction. The possible biological significance of these observations is discussed with respect to alternative scenarios of oligomerization.

Asymptotic equilibrium diffusion analysis of time-dependent Monte Carlo methods for grey radiative transfer

International Nuclear Information System (INIS)

Densmore, Jeffery D.; Larsen, Edward W.

2004-01-01

The equations of nonlinear, time-dependent radiative transfer are known to yield the equilibrium diffusion equation as the leading-order solution of an asymptotic analysis when the mean-free path and mean-free time of a photon become small. We apply this same analysis to the Fleck-Cummings, Carter-Forest, and N'kaoua Monte Carlo approximations for grey (frequency-independent) radiative transfer. Although Monte Carlo simulation usually does not require the discretizations found in deterministic transport techniques, Monte Carlo methods for radiative transfer require a time discretization due to the nonlinearities of the problem. If an asymptotic analysis of the equations used by a particular Monte Carlo method yields an accurate time-discretized version of the equilibrium diffusion equation, the method should generate accurate solutions if a time discretization is chosen that resolves temperature changes, even if the time steps are much larger than the mean-free time of a photon. This analysis is of interest because in many radiative transfer problems, it is a practical necessity to use time steps that are large compared to a mean-free time. Our asymptotic analysis shows that: (i) the N'kaoua method has the equilibrium diffusion limit, (ii) the Carter-Forest method has the equilibrium diffusion limit if the material temperature change during a time step is small, and (iii) the Fleck-Cummings method does not have the equilibrium diffusion limit. We include numerical results that verify our theoretical predictions

Power dependence of ion thermal diffusivity at the internal transport barrier in JT-60U

Energy Technology Data Exchange (ETDEWEB)

Sakamoto, Yoshiteru; Suzuki, Takahiro; Ide, Shunsuke [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment] [and others

2002-09-01

The formation properties of an internal transport barrier (ITB) were investigated in a weak positive magnetic shear plasma by changing the neutral beam heating power. The ion thermal diffusivity in the core region shows L-mode state, weak ITB, and strong ITB, depending upon the heating power. Two features of ITB formation were experimentally confirmed. Weak ITB was formed in spite of the absence of an apparent transition in an ion temperature profile. On the other hand, strong ITB appeared after an apparent transition from the weak ITB. In addition, the ion thermal diffusivity at the ITB is correlated to the radial electric field shear. In the case of the weak ITB, ion thermal diffusivity decreased gradually with increases in the radial electric field shear. There exists a threshold in the radial electric field shear, which allows for a change in state from that of weak to strong ITBs. (author)

Analytical description of concentration dependence of surface tension in multicomponent systems

Energy Technology Data Exchange (ETDEWEB)

Dadashev, R; Kutuev, R [Complex Science Research Institute of the Science Academy of the Chechen Republic, 21 Staropromisl. shosse, Grozny 364096 (Russian Federation); Elimkhanov, D [Science Academy of the Chechen Republic (Russian Federation)], E-mail: edzhabrail@mail.ru

2008-02-15

From the basic fundamental thermodynamic expressions the equation of isotherms of the surface tension of a ternary system is received. Various assumptions concerning the concentration dependence of molar areas are usually made when the equation is derived. The dependence of the molar areas is calculated as an additive function of the structure of a volumetric phase or the structure of a surface layer. To define the concentration dependence of the molar areas we used a stricter thermodynamic expression offered by Butler. In the received equation the dependence of molar areas on the structure of the solution is taken into account. Therefore, the equation can be applied for the calculation of surface tension over a wide concentration range of the components. Unlike the known expressions, the equation includes the surface tension properties of lateral binary systems, which makes the accuracy of the calculated values considerably higher. Thus, among the advantages of the offered equation we can point out the mathematical simplicity of the received equation and the fact that the equation includes physical parameters the experimental definition of which does not present any special difficulties.

Diffusion-driven and excitation-dependent recombination rate in blue InGaN/GaN quantum well structures

International Nuclear Information System (INIS)

Aleksiejūnas, R.; Gelžinytė, K.; Nargelas, S.; Jarašiūnas, K.; Vengris, M.; Armour, E. A.; Byrnes, D. P.; Arif, R. A.; Lee, S. M.; Papasouliotis, G. D.

2014-01-01

We report on diffusion-driven and excitation-dependent carrier recombination rate in multiple InGaN/GaN quantum wells by using photoluminescence, light-induced absorption, and diffraction techniques. We demonstrate gradually increasing with excitation carrier diffusivity and its correlation with the recombination rate. At low carrier densities, an increase in radiative emission and carrier lifetime was observed due to partial saturation of non-radiative recombination centers. However, at carrier densities above ∼5 × 10 18  cm −3 , a typical value of photoluminescence efficiency droop, a further increase of diffusivity forces the delocalized carriers to face higher number of fast non-radiative recombination centers leading to an increase of non-radiative losses

Diffusion-driven and excitation-dependent recombination rate in blue InGaN/GaN quantum well structures

Energy Technology Data Exchange (ETDEWEB)

Aleksiejūnas, R.; Gelžinytė, K.; Nargelas, S., E-mail: saulius.nargelas@ff.vu.lt; Jarašiūnas, K. [Department of Semiconductor Optoelectronics, Institute of Applied Research, Vilnius University, Saulėtekio 9–III, 10222 Vilnius (Lithuania); Vengris, M. [Laser Research Center, Vilnius University, Saulėtekio 10, 10223 Vilnius (Lithuania); Armour, E. A.; Byrnes, D. P.; Arif, R. A.; Lee, S. M.; Papasouliotis, G. D. [Veeco Instruments, Turbodisc Operations, 394 Elizabeth Avenue, Somerset, New Jersey 08873 (United States)

2014-01-13

We report on diffusion-driven and excitation-dependent carrier recombination rate in multiple InGaN/GaN quantum wells by using photoluminescence, light-induced absorption, and diffraction techniques. We demonstrate gradually increasing with excitation carrier diffusivity and its correlation with the recombination rate. At low carrier densities, an increase in radiative emission and carrier lifetime was observed due to partial saturation of non-radiative recombination centers. However, at carrier densities above ∼5 × 10{sup 18} cm{sup −3}, a typical value of photoluminescence efficiency droop, a further increase of diffusivity forces the delocalized carriers to face higher number of fast non-radiative recombination centers leading to an increase of non-radiative losses.

Nonequilibrium free diffusion in seed leachate

Science.gov (United States)

Ortiz G., Luis; Riquelme P., Pablo; Guzmán, R.

2013-11-01

In this work, we use a Schlieren-like Near Field Scattering (SNFS) setup to study nonequilibrium free diffusion behavior of a colloidal solution obtained from seeds leachate. The main objective is to compare the temporal behavior of the diffusion coefficient of seed leachate with an electric conductivity based vigor test. SNFS sizing measurements, based on Mie theory, were carried out to ensure its reliability and sensitivity. Then, we performed a typical nonequilibrium free diffusion experiment of a glycerol-water mixture. In this way, we confirmed that SNFS setup is sensitive to giant concentration fluctuations of nanocolloidal solutions. The results obtained in this stage reproduce properly the data reported elsewhere in literature. Moreover, seed leachate diffuse, in water, in a similar way that glycerol does. In both cases we used the same method (dynamic structure factor) to determine thermo-physical properties. We show that time evolution of diffusion coefficient of Lupinus Albus leachate exhibits three defined regimes as electric conductivity measurements. The results also exhibit a correspondence between the behavior of the diffusion coefficient and electric conductivity values of the two regions in the temporal range studied. Finally, we discuss biological processes involved in germination that could modulate this dependence, and the role played by the electrolytic nature of solutes.

The determination of volatile chlorinated hydrocarbons in air. Sampling rate and efficiency of diffuse samplers

Energy Technology Data Exchange (ETDEWEB)

Giese, U.; Stenner, H.; Kettrup, A.

1989-05-01

When applicating diffusive sampling-systems to workplace air-monitoring it is necessary to know the behaviour of the diffusive-rate and the efficiency in dependence of concentration, exposition time and the type of pollutant. Especially concerning mixtures of pollutants there are negative influences by competition and mutual displacement possible. Diffusive-rate and discovery for CH/sub 2/Cl/sub 2/ and CHCl/sub 3/ were investigated using two different types of diffuse samplers. For this it was necessary to develop suitable defices for standard gas generation and for the exposition of diffusive-samplers to a standard gas mixture. (orig.).

Diffusive flux of methane from warm wetlands

Energy Technology Data Exchange (ETDEWEB)

Barber, T.R.; Burke, R.A.; Sackett, W.M. (Univ. of South Florida, St. Petersburg (USA))

1988-12-01

Diffusion of methane across the air-water interface from several wetland environments in south Florida was estimated from measured surface water concentrations using an empirically derived gas exchange model. The flux from the Everglades sawgrass marsh system varied widely, ranging from 0.18 + or{minus}0.21 mol CH{sub 4}/sq m/yr for densely vegetated regions to 2.01 + or{minus}0.88 for sparsely vegetated, calcitic mud areas. Despite brackish salinities, a strong methane flux, 1.87 + or{minus}0.63 mol CH{sub 4}/sq m/yr, was estimated for an organic-rich mangrove pond near Florida Bay. The diffusive flux accounted for 23, 36, and 13% of the total amount of CH{sub 4} emitted to the atmosphere from these environments, respectively. The average dissolved methane concentration for an organic-rich forested swamp was the highest of any site at 12.6 microM; however, the calculated diffusive flux from this location, 2.57 + or{minus}1.88 mol CH{sub 4}/sq m/yr, was diminished by an extensive plant canopy that sheltered the air-water interface from the wind. The mean diffusive flux from four freshwater lakes, 0.77 + or{minus}0.73 mol CH{sub 4}/sq m/yr, demonstrated little temperature dependence. The mean diffusive flux for an urbanized, subtropical estuary was 0.06 + or{minus}0.05 mol CH{sub 4}/sq m/yr.

The diffusion of infrastructure dependent technologies

NARCIS (Netherlands)

Vooren, A. van der; Alkemade, F.

2010-01-01

In order to realize the transition to a more sustainable society, changes in societal subsystems such as energy and transport are necessary. Technological substitution and the diffusion of environmentally friendly technologies are envisioned to play an important role in these changes. New

Drug diffusion across skin with diffusivity spatially modulated

Science.gov (United States)

Montoya Arroyave, Isabel

2014-05-01

A diffusion and delivery model of a drug across the skin with diffusivity spatially modulated is formulated and solved analytically using computer algebra. The model is developed using one-dimensional diffusion equation with a diffusivity which is a function of position in the skin; with an initial condition which is describing that the drug is initially contained inside a therapeutic patch; with a boundary condition according to which the change in concentration in the patch is minimal, such that assumption of zero flux at the patch-skin interface is valid; and with other boundary condition according to which the microcirculation in the capillaries just below the dermis carries the drug molecules away from the site at a very fast rate, maintaining the inner concentration at 0. The model is solved analytically by the method of the Laplace transform, with Bromwich integral and residue theorem. The concentration profile of the drug in the skin is expressed as an infinite series of Bessel functions. The corresponding total amount of delivered drug is expressed as an infinite series of decreasing exponentials. Also, the corresponding effective time for the therapeutic patch is determined. All computations were performed using computer algebra software, specifically Maple. The analytical results obtained are important for understanding and improving currentapplications of therapeutic patches. For future research it is interesting to consider more general models of spatial modulation of the diffusivity and the possible application of other computer algebra software such as Mathematica and Maxima.

Diffusion in building wakes

International Nuclear Information System (INIS)

Ramsdell, J.V.

1988-03-01

Straight-line Gaussian models adequately describe atmospheric diffusion for many applications. They have been modified for use in estimating diffusion in building wakes by adding terms that include projected building area and by redefining the diffusion coefficients so that the coefficients have minimum values that are related to building dimensions. In a recent study, Ramsdell reviewed the building-wake dispersion models used by the Nuclear Regulatory Commission (NRC) in its control room habitability assessments. The review included comparison of model estimates of centerline concentrations with concentrations observed in experiments at seven nuclear reactors. In general, the models are conservative in that they tend to predict concentrations that are greater than those actually observed. However, the models show little skill in accounting for variations in the observed concentrations. Subsequently, the experimental data and multiples linear regression techniques have been used to develop a new building wake diffusion model. This paper describes the new building wake model and compares it with other models. 8 refs., 2 figs

Diffusion and phase transformation behavior in poly-synthetically-twinned (PST) titanium-aluminum/titanium diffusion couple

Science.gov (United States)

Pan, Ling

Motivated by the great potential applications of gamma titanium aluminide based alloys and the important effect of diffusion on the properties of gamma-TiAl/alpha2-Ti3Al two-phase lamellar structure, we conduct this thesis research to explore the microstructural evolution and interdiffusion behavior, and their correlations in multi-phase solid state diffusion couples made up of pure titanium and polysynthetically-twinned (PST) Ti-49.3 at.% Al "single" crystal, in the temperature range of 973--1173 K. The diffusion couples are prepared by high vacuum hot-pressing, with the diffusion direction parallel to the lamellar planes. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM) are employed to observe the microstructure at various interfaces/interphases. A reaction zone (RZ) of polycrystalline alpha 2-Ti3Al phase forms along the PST Ti-Al/Ti bonding interface having a wavy interface with the PST crystal and exhibits deeper penetration in alpha2 lamellae, consisting of many fine alpha2 and secondary gamma laths, than in primary gamma lamellae. Direct measurement of the RZ thickness on SEM back-scattered electron images reveals a parabolic growth of the RZ, indicating a macroscopically diffusion-controlled growth. Concentration profiles from Ti, through the RZ, into the alpha2 lamellae of the PST crystal are measured by quantitative energy-dispersive x-ray spectroscopy (EDS) in a scanning transmission electron microscope (STEM). A plateau of composition adjacent to the RZ/(mixed alpha2 lath in PST) interface forms in the deeply penetrated RZ grains, implying a diffusion barrier crossing the interface and some extent of interface control in the RZ grain growth. The interdiffusion coefficient is evaluated both independent of composition and as a function of composition. No significant concentration dependence of the interdiffusion coefficients is observed using Boltzmann-Matano analysis

Diffusion Profiles of Health Beneficial Components from Goji Berry (Lyceum barbarum Marinated in Alcohol and Their Antioxidant Capacities as Affected by Alcohol Concentration and Steeping Time

Directory of Open Access Journals (Sweden)

Yang Song

2013-01-01

Full Text Available The fruit (goji berry of Lycium barbarum, a traditional Chinese medicine, has been widely used in health diets due to its potential role in the prevention of chronic diseases. One of the most popular applications of goji berry is to make goji wine in China by steeping goji berry in grain liquor. However, how the steeping process affects antioxidant capacities and phytochemicals of goji berry is not yet fully understood. Therefore, to provide scientific data for the utilization of goji berry in the nutraceutical industry, the diffusion rate of betaine, β-carotene, phenolic compounds in goji berry and their antioxidant capacities affected by alcohol concentration and steeping time were determined by UV-Visible spectrophotometer. The results showed that low alcohol concentration (15% or 25% would promote the diffusion of betaine and increase antioxidant activity, while high concentration (55% or 65% would generally increase the diffusion of flavonoids and reduce antioxidant activity. The steeping time had no significant effect on the diffusion of phenolic compounds and antioxidant activities. However, all goji berry wine steeped for 14 days with different alcohol concentrations exhibited the highest betaine concentration. Current findings provide useful information for the nutraceutical industries to choose proper steeping time and alcohol concentration to yield desired health promotion components from goji.

Diffusion Profiles of Health Beneficial Components from Goji Berry (Lyceum barbarum) Marinated in Alcohol and Their Antioxidant Capacities as Affected by Alcohol Concentration and Steeping Time

Science.gov (United States)

Song, Yang; Xu, Baojun

2013-01-01

The fruit (goji berry) of Lycium barbarum, a traditional Chinese medicine, has been widely used in health diets due to its potential role in the prevention of chronic diseases. One of the most popular applications of goji berry is to make goji wine in China by steeping goji berry in grain liquor. However, how the steeping process affects antioxidant capacities and phytochemicals of goji berry is not yet fully understood. Therefore, to provide scientific data for the utilization of goji berry in the nutraceutical industry, the diffusion rate of betaine, β-carotene, phenolic compounds in goji berry and their antioxidant capacities affected by alcohol concentration and steeping time were determined by UV-Visible spectrophotometer. The results showed that low alcohol concentration (15% or 25%) would promote the diffusion of betaine and increase antioxidant activity, while high concentration (55% or 65%) would generally increase the diffusion of flavonoids and reduce antioxidant activity. The steeping time had no significant effect on the diffusion of phenolic compounds and antioxidant activities. However, all goji berry wine steeped for 14 days with different alcohol concentrations exhibited the highest betaine concentration. Current findings provide useful information for the nutraceutical industries to choose proper steeping time and alcohol concentration to yield desired health promotion components from goji. PMID:28239094

Study on mutual diffusion and phase diagram in the Ni-Ta system

International Nuclear Information System (INIS)

Pimenov, V.N.; Ugaste, Yu.Eh.; Akkushkarova, K.A.

1977-01-01

The mutual diffusion in the Ni-Ta system has been investigated with a view of refining the constitutional diagram. The mutual diffusion factors and their effective values in the various phases and the diffusion activation energies are calculated. Given are the dependences of the phase growth constants and the mutual diffusion factors upon the temperature. The existence of five new phases Ta 2 Ni, TaNi, TaNi 2 , TaNi 3 , TaNi 8 has been discovered in the range of temperatures between 1150 and 1300 deg C. It is established that all the phases have a small concentration range of existence. It is noted that the diffusion characteristics in the phases (mutual diffusion factor and activation energy) differ widely, but fail to correlate with their melting points

Hydrogen diffusion along grain boundaries in erbium oxide coatings

International Nuclear Information System (INIS)

Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki

2014-01-01

Diffusion of interstitial atomic hydrogen in erbium oxide (Er 2 O 3 ) was investigated using density functional theory (DFT) and molecular dynamics (MD) methods. Hydrogen diffusivity in bulk, on (0 0 1) surface, and along Σ13 (4–3–1)/[1 1 1] symmetric tilt grain boundaries (GBs) were evaluated in a temperature range of 673–1073 K, as well as hydrogen diffusion barriers. It was found that H diffusion shows the faster on (0 0 1) surface than along GBs and in bulk. Also, energy barrier of H diffusion in bulk estimated by DFT and MD methods is somewhat higher than that along GBs evaluated in the experiments. This suggests that H diffusion in Er 2 O 3 coatings depends on GBs rather than bulk. In addition, with a correction of GB density, the simulated diffusivity along GBs in MD simulations is in good agreement with the experimental data within one order of magnitude. The discrepancy of H diffusivity between the experiments and the simulations should be reduced by considering H concentration, H diffusion direction, deviations of the initial configuration, vacancy defects, etc

Quantitative Measurements of CH* Concentration in Normal Gravity and Microgravity Coflow Laminar Diffusion Flames

Science.gov (United States)

Giassi, D.; Cao, S.; Stocker, D. P.; Takahashi, F.; Bennett, B. A.; Smooke, M. D.; Long, M. B.

2015-01-01

With the conclusion of the SLICE campaign aboard the ISS in 2012, a large amount of data was made available for the analysis of the effect of microgravity on laminar coflow diffusion flames. Previous work focused on the study of sooty flames in microgravity as well as the ability of numerical models to predict its formation in a simplified buoyancy-free environment. The current work shifts the investigation to soot-free flames, putting an emphasis on the chemiluminescence emission from electronically excited CH (CH*). This radical species is of significant interest in combustion studies: it has been shown that the CH* spatial distribution is indicative of the flame front position and, given the relatively simple diagnostic involved with its measurement, several works have been done trying to understand the ability of CH* chemiluminescence to predict the total and local flame heat release rate. In this work, a subset of the SLICE nitrogen-diluted methane flames has been considered, and the effect of fuel and coflow velocity on CH* concentration is discussed and compared with both normal gravity results and numerical simulations. Experimentally, the spectral characterization of the DSLR color camera used to acquire the flame images allowed the signal collected by the blue channel to be considered representative of the CH* emission centered around 431 nm. Due to the axisymmetric flame structure, an Abel deconvolution of the line-of-sight chemiluminescence was used to obtain the radial intensity profile and, thanks to an absolute light intensity calibration, a quantification of the CH* concentration was possible. Results show that, in microgravity, the maximum flame CH* concentration increases with the coflow velocity, but it is weakly dependent on the fuel velocity; normal gravity flames, if not lifted, tend to follow the same trend, albeit with different peak concentrations. Comparisons with numerical simulations display reasonably good agreement between measured and

Continuum modelling of silicon diffusion in indium gallium arsenide

Science.gov (United States)

Aldridge, Henry Lee, Jr.

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

Prostasin-dependent activation of epithelial Na+ channels by low plasmin concentrations

DEFF Research Database (Denmark)

Svenningsen, Per; Uhrenholt, Torben R; Palarasah, Yaseelan

2009-01-01

by which plasmin stimulates ENaC activity. Cy3-labeled plasmin was found to bind to the surface of the mouse cortical collecting duct cell line, M-1. Binding depended on a glycosylphosphatidylinositol (GPI)-anchored protein. Biotin-label transfer showed that plasmin interacted with the GPI-anchored protein...... plasmin-stimulated ENaC current in monolayers of M-1 cells at low plasmin concentration (1-4 microg/ml). At a high plasmin concentration of 30 microg/ml, there was no difference between cell layers treated with or without PI-PLC. Knockdown of prostasin attenuated binding of plasmin to M1 cells and blocked...... labeling of M-1 cells. Pretreatment with plasmin abolished labeling of M-1 cells in a prostasin-dependent way. We conclude that, at low concentrations, plasmin interacts with GPI-anchored prostasin, which leads to cleavage of the gamma-subunit and activation of ENaC, while at higher concentrations, plasmin...

Load-dependent surface diffusion model for analyzing the kinetics of protein adsorption onto mesoporous materials.

Science.gov (United States)

Marbán, Gregorio; Ramírez-Montoya, Luis A; García, Héctor; Menéndez, J Ángel; Arenillas, Ana; Montes-Morán, Miguel A

2018-02-01

The adsorption of cytochrome c in water onto organic and carbon xerogels with narrow pore size distributions has been studied by carrying out transient and equilibrium batch adsorption experiments. It was found that equilibrium adsorption exhibits a quasi-Langmuirian behavior (a g coefficient in the Redlich-Peterson isotherms of over 0.95) involving the formation of a monolayer of cyt c with a depth of ∼4nm on the surface of all xerogels for a packing density of the protein inside the pores of 0.29gcm -3 . A load-dependent surface diffusion model (LDSDM) has been developed and numerically solved to fit the experimental kinetic adsorption curves. The results of the LDSDM show better fittings than the standard homogeneous surface diffusion model. The value of the external mass transfer coefficient obtained by numerical optimization confirms that the process is controlled by the intraparticle surface diffusion of cyt c. The surface diffusion coefficients decrease with increasing protein load down to zero for the maximum possible load. The decrease is steeper in the case of the xerogels with the smallest average pore diameter (∼15nm), the limit at which the zero-load diffusion coefficient of cyt c also begins to be negatively affected by interactions with the opposite wall of the pore. Copyright © 2017 Elsevier Inc. All rights reserved.

Kinetic energy dependence of carrier diffusion in a GaAs epilayer studied by wavelength selective PL imaging

Energy Technology Data Exchange (ETDEWEB)

Zhang, S. [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Providence High School, Charlotte, NC 28270 (United States); Su, L.Q.; Kon, J. [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Gfroerer, T. [Davidson College, Davidson, NC 28035 (United States); Wanlass, M.W. [National Renewable Energy Laboratory, Golden, CO 80401 (United States); Zhang, Y., E-mail: yong.zhang@uncc.edu [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States)

2017-05-15

Photoluminescence (PL) imaging has been shown to be an efficient technique for investigating carrier diffusion in semiconductors. In the past, the measurement was typically carried out by measuring at one wavelength (e.g., at the band gap) or simply the whole emission band. At room temperature in a semiconductor like GaAs, the band-to-band PL emission may occur in a spectral range over 200 meV, vastly exceeding the average thermal energy of about 26 meV. To investigate the potential dependence of the carrier diffusion on the carrier kinetic energy, we performed wavelength selective PL imaging on a GaAs double hetero-structure in a spectral range from about 70 meV above to 50 meV below the bandgap, extracting the carrier diffusion lengths at different PL wavelengths by fitting the imaging data to a theoretical model. The results clearly show that the locally generated carriers of different kinetic energies mostly diffuse together, maintaining the same thermal distribution throughout the diffusion process. Potential effects related to carrier density, self-absorption, lateral wave-guiding, and local heating are also discussed.

Time and spatial concentration profile inside a membrane by means of a memory formalism

Science.gov (United States)

Caputo, Michele; Cametti, Cesare; Ruggero, Vittorio

2008-03-01

In this note, the profile concentration of diffusing particles inside a membrane has been calculated on the basis of the Fick diffusion equation modified by introducing a memory formalism. In highly heterogeneous systems, such as biological membranes, the intrinsic structural complexity of the medium restricts the applicability of continuum diffusion models and suggests that diffusion parameters could depend at a certain time or position on what happens at preceding times (diffusion with memory). Here, we deal with two particular cases, the diffusion of glucose across an erythrocyte membrane, when the concentration at both sides of the membrane are assigned, and the permeation transport of small molecular weight solute through an artificial hydrogel polymeric membrane. However, the present procedure can be easily extended to more general conditions. The knowledge of the concentration profile within a membranous structure, which is usually not easily experimentally accessible, completes the description of the rather complex phenomenon of the transport across a highly structured confined medium and can also lead to an improvement in controlled drug-delivery systems.

A Novel Concentrator Photovoltaic (CPV System with the Improvement of Irradiance Uniformity and the Capturing of Diffuse Solar Radiation

Directory of Open Access Journals (Sweden)

Nguyen Xuan Tien

2016-09-01

Full Text Available This paper proposes a novel concentrator photovoltaic (CPV system with improved irradiation uniformity and system efficiency. CPV technology is very promising its for highly efficient solar energy conversion. A conventional CPV system usually uses only one optical component, such as a refractive Fresnel lens or a reflective parabolic dish, to collect and concentrate solar radiation on the solar cell surface. Such a system creates strongly non-uniform irradiation distribution on the solar cell, which tends to cause hot spots, current mismatch, and degrades the overall efficiency of the system. Additionally, a high-concentration CPV system is unable to collect diffuse solar radiation. In this paper, we propose a novel CPV system with improved irradiation uniformity and collection of diffuse solar radiation. The proposed system uses a Fresnel lens as a primary optical element (POE to concentrate and focus the sunlight and a plano-concave lens as a secondary optical element (SOE to uniformly distribute the sunlight over the surface of multi-junction (MJ solar cells. By using the SOE, the irradiance uniformity is significantly improved in the system. Additionally, the proposed system also captures diffuse solar radiation by using an additional low-cost solar cell surrounding MJ cells. In our system, incident direct solar radiation is captured by MJ solar cells, whereas incident diffuse solar radiation is captured by the low-cost solar cell. Simulation models were developed using a commercial optical simulation tool (LightTools™. The irradiance uniformity and efficiency of the proposed CPV system were analyzed, evaluated, and compared with those of conventional CPV systems. The analyzed and simulated results show that the CPV system significantly improves the irradiance uniformity as well as the system efficiency compared to the conventional CPV systems. Numerically, for our simulation models, the designed CPV with the SOE and low-cost cell provided

Glymphatic clearance controls state-dependent changes in brain lactate concentration

DEFF Research Database (Denmark)

Lundgaard, Iben; Lu, Minh Lon; Yang, Ezra

2017-01-01

Brain lactate concentration is higher during wakefulness than in sleep. However, it is unknown why arousal is linked to an increase in brain lactate and why lactate declines within minutes of sleep. Here, we show that the glymphatic system is responsible for state-dependent changes in brain lacta......-lymphatic clearance. This analysis provides fundamental new insight into brain energy metabolism by demonstrating that glucose that is not fully oxidized can be exported as lactate via glymphatic-lymphatic fluid transport.......Brain lactate concentration is higher during wakefulness than in sleep. However, it is unknown why arousal is linked to an increase in brain lactate and why lactate declines within minutes of sleep. Here, we show that the glymphatic system is responsible for state-dependent changes in brain lactate...... concentration. Suppression of glymphatic function via acetazolamide treatment, cisterna magna puncture, aquaporin 4 deletion, or changes in body position reduced the decline in brain lactate normally observed when awake mice transition into sleep or anesthesia. Concurrently, the same manipulations diminished...

DCXE, Time-Dependent Xe Diffusion in Non-Multiplying Slab

International Nuclear Information System (INIS)

Horikami, K.; Kawasaki, S.

1969-01-01

1 - Nature of physical problem solved: Programme DCXE was designed for the analysis of the diffusion phenomena of xenon in non-multiplying media (slab geometry) and solves the Fick's second diffusion equation with boundary conditions. Initial distribution of xenon in the media at time 0 and 0 value of distribution at both ends of media at any positive time. 2 - Method of solution: Difference approximation is used to solve Fick's second diffusion equation. Strict stability condition is chosen between time and spatial intervals

DCXE, Time-Dependent Xe Diffusion in Non-Multiplying Slab

Energy Technology Data Exchange (ETDEWEB)

Horikami, K; Kawasaki, S [Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan)

1969-01-01

1 - Nature of physical problem solved: Programme DCXE was designed for the analysis of the diffusion phenomena of xenon in non-multiplying media (slab geometry) and solves the Fick's second diffusion equation with boundary conditions. Initial distribution of xenon in the media at time 0 and 0 value of distribution at both ends of media at any positive time. 2 - Method of solution: Difference approximation is used to solve Fick's second diffusion equation. Strict stability condition is chosen between time and spatial intervals.

Diffusion of uranium with several transition metals; Diffusion de l'uranium avec quelques metaux de transition

Energy Technology Data Exchange (ETDEWEB)

Adda, Y [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Philibert, J [Institut de Recherches de la Siderurgie Francaise (IRSID), 78 - Saint-Germain-en-Laye (France)

1958-07-01

After a brief description of the experimental procedure, the curves representing the concentration versus the depth of penetration are presented for the various systems under study. From these curves, it is possible to derive the diffusion coefficient and the activation energy as functions of the concentration. Moreover in the multiphase region, these curves enable one to establish the equilibrium diagram. The growth kinetics of the various zones characterized by their micrographic aspect is also studied and the corresponding activation energies calculated. These activations energies are compared to the ones for the diffusion process at the same concentration. Finally in order to precise the diffusion mechanism, the Kirkendall effect is studied and the Darken intrinsic coefficients calculated. (author)Fren. [French] Apres avoir decrit brievement les methodes experimentales, nous presentons les courbes concentration-penetration caracterisant la diffusion dans les differents systemes etudies. Celles-ci permettent de calculer les coefficients de diffusion et leur energie d'activation, en fonction de la concentration, et de plus, dans le domaine polyphase, d'etablir le diagramme d'equilibre. En outre, on a etudie la cinetique de croissance des diverses zones caracterisees par leur aspect micrographique et calcule les energies d'activation correspondantes; celles-ci ont ete comparees aux energies d'activation de diffusion, pour les memes valeurs de la concentration. Enfin, en vue de preciser les mecanismes de diffusion, nous avons etudie l'effet Kirkendall et calcule les coefficients intrinseques de Darken. (auteur)

A determination of the L dependence of the radial diffusion coefficient for protons in Jupiter's inner magnetosphere

Science.gov (United States)

Thomsen, M. F.; Goertz, C. K.; Van Allen, J. A.

1977-01-01

In a previous paper (Thomsen et al., 1977), a technique was proposed for estimating the radial diffusion coefficient (n) in the inner magnetosphere of Jupiter from the observations of the sweeping effect of the inner Jovian satellites on the fluxes of the energetic charged particles. The present paper extends this technique to permit the unique identification of the parameters D sub O and n, where the diffusion coefficient is assumed to be of the form D = D sub O L to the nth. The derived value of D sub O depends directly on assumptions regarding the nature and efficiency of the loss mechanism operating on the particles, while the value of n depends only on the assumed width of the loss region. The extended technique is applied to the University of Iowa Pioneer 11 proton data, leading to values of n of about O and D(6) of about 3 x 10 to the -8th (R sub J)-squared/sec, when satellite sweepup losses are assumed to be the only loss operating on the protons. The small value of n is strong evidence that the radial diffusion is driven by ionospheric winds.

Maxwell–Stefan diffusion and dynamical correlation in molten LiF-KF: A molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Jain, Richa Naja, E-mail: ltprichanaja@gmail.com; Chakraborty, Brahmananda; Ramaniah, Lavanya M. [High Pressure & Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre, Trombay, Mumbai-85 (India)

2016-05-23

In this work our main objective is to compute Dynamical correlations, Onsager coefficients and Maxwell-Stefan (MS) diffusivities for molten salt LiF-KF mixture at various thermodynamic states through Green–Kubo formalism for the first time. The equilibrium molecular dynamics (MD) simulations were performed using BHM potential for LiF–KF mixture. The velocity autocorrelations functions involving Li ions reflect the endurance of cage dynamics or backscattering with temperature. The magnitude of Onsager coefficients for all pairs increases with increase in temperature. Interestingly most of the Onsager coefficients has almost maximum magnitude at the eutectic composition indicating the most dynamic character of the eutectic mixture. MS diffusivity hence diffusion for all ion pairs increases in the system with increasing temperature. Smooth variation of the diffusivity values denies any network formation in the mixture. Also, the striking feature is the noticeable concentration dependence of MS diffusivity between cation-cation pair, Đ{sub Li-K} which remains negative for most of the concentration range but changes sign to become positive for higher LiF concentration. The negative MS diffusivity is acceptable as it satisfies the non-negative entropy constraint governed by 2{sup nd} law of thermodynamics. This high diffusivity also vouches the candidature of molten salt as a coolant.

Nonequilibrium transition and pattern formation in a linear reaction-diffusion system with self-regulated kinetics

Science.gov (United States)

Paul, Shibashis; Ghosh, Shyamolina; Ray, Deb Shankar

2018-02-01

We consider a reaction-diffusion system with linear, stochastic activator-inhibitor kinetics where the time evolution of concentration of a species at any spatial location depends on the relative average concentration of its neighbors. This self-regulating nature of kinetics brings in spatial correlation between the activator and the inhibitor. An interplay of this correlation in kinetics and disparity of diffusivities of the two species leads to symmetry breaking non-equilibrium transition resulting in stationary pattern formation. The role of initial noise strength and the linear reaction terms has been analyzed for pattern selection.

Electron mobilities of n-type organic semiconductors from time-dependent wavepacket diffusion method: pentacenequinone derivatives.

Science.gov (United States)

Zhang, WeiWei; Zhong, XinXin; Zhao, Yi

2012-11-26

The electron mobilities of two n-type pentacenequinone derivative organic semiconductors, 5,7,12,14-tetraaza-6,13-pentacenequinone (TAPQ5) and 1,4,8,11-tetraaza-6,13-pentacenequinone (TAPQ7), are investigated with use of the methods of electronic structure and quantum dynamics. The electronic structure calculations reveal that the two key parameters for the control of electron transfer, reorganization energy and electronic coupling, are similar for these two isomerization systems, and the charge carriers essentially display one-dimensional transport properties. The mobilities are then calculated by using the time-dependent wavepacket diffusion approach in which the dynamic fluctuations of the electronic couplings are incorporated via their correlation functions obtained from molecular dynamics simulations. The predicted mobility of TAPQ7 crystal is about six times larger than that of TAPQ5 crystal. Most interestingly, Fermi's golden rule predicts the mobilities very close to those from the time-dependent wavepacket diffusion method, even though the electronic couplings are explicitly large enough to make the perturbation theory invalid. The possible reason is analyzed from the dynamic fluctuations.

An axisymmetric diffusion experiment for the determination of diffusion and sorption coefficients of rock samples.

Science.gov (United States)

Takeda, M; Hiratsuka, T; Ito, K; Finsterle, S

2011-04-25

Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an

An asixymmetric diffusion experiment for the determination of diffusion and sorption coefficients of rock samples

Energy Technology Data Exchange (ETDEWEB)

Takeda, M.; Hiratsuka, T.; Ito, K.; Finsterle, S.

2011-02-01

Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an

Time-dependent free boundary equilibrium and resistive diffusion in a tokamak plasma

International Nuclear Information System (INIS)

Selig, G.

2012-12-01

In a Tokamak, in order to create the necessary conditions for nuclear fusion to occur, a plasma is maintained by applying magnetic fields. Under the hypothesis of an axial symmetry of the tokamak, the study of the magnetic configuration at equilibrium is done in two dimensions, and is deduced from the poloidal flux function. This function is solution of a non linear partial differential equation system, known as equilibrium problem. This thesis presents the time dependent free boundary equilibrium problem, where the circuit equations in the tokamak coils and passive conductors are solved together with the Grad-Shafranov equation to produce a dynamic simulation of the plasma. In this framework, the Finite Element equilibrium code CEDRES has been improved in order to solve the aforementioned dynamic problem. Consistency tests and comparisons with the DINA-CH code on an ITER vertical instability case have validated the results. Then, the resistive diffusion of the plasma current density has been simulated using a coupling between CEDRES and the averaged one-dimensional diffusion equation, and it has been successfully compared with the integrated modeling code CRONOS. (author)

From State Dependent Diffusion to Constant Diffusion in Stochastic Differential Equations by the Lamperti Transform

DEFF Research Database (Denmark)

Møller, Jan Kloppenborg; Madsen, Henrik

the Lamperti transform. This note gives an example driven introduction to the Lamperti transform. The general applicability of the Lamperti transform is limited to univariate diffusion processes, but for a restricted class of multivariate diffusion processes Lamperti type transformations are available...

Diffusion in silicon isotope heterostructures

Energy Technology Data Exchange (ETDEWEB)

Silvestri, Hughes Howland [Univ. of California, Berkeley, CA (United States)

2004-01-01

The simultaneous diffusion of Si and the dopants B, P, and As has been studied by the use of a multilayer structure of isotopically enriched Si. This structure, consisting of 5 pairs of 120 nm thick natural Si and ²⁸Si enriched layers, enables the observation of ³⁰Si self-diffusion from the natural layers into the ²⁸Si enriched layers, as well as dopant diffusion from an implanted source in an amorphous Si cap layer, via Secondary Ion Mass Spectrometry (SIMS). The dopant diffusion created regions of the multilayer structure that were extrinsic at the diffusion temperatures. In these regions, the Fermi level shift due to the extrinsic condition altered the concentration and charge state of the native defects involved in the diffusion process, which affected the dopant and self-diffusion. The simultaneously recorded diffusion profiles enabled the modeling of the coupled dopant and self-diffusion. From the modeling of the simultaneous diffusion, the dopant diffusion mechanisms, the native defect charge states, and the self- and dopant diffusion coefficients can be determined. This information is necessary to enhance the physical modeling of dopant diffusion in Si. It is of particular interest to the modeling of future electronic Si devices, where the nanometer-scale features have created the need for precise physical models of atomic diffusion in Si. The modeling of the experimental profiles of simultaneous diffusion of B and Si under p-type extrinsic conditions revealed that both species are mediated by neutral and singly, positively charged Si self-interstitials. The diffusion of As and Si under extrinsic n-type conditions yielded a model consisting of the interstitialcy and vacancy mechanisms of diffusion via singly negatively charged self-interstitials and neutral vacancies. The simultaneous diffusion of P and Si has been modeled on the basis of neutral and singly negatively charged self-interstitials and neutral and singly

Scaling Law for Cross-stream Diffusion in Microchannels under Combined Electroosmotic and Pressure Driven Flow.

Science.gov (United States)

Song, Hongjun; Wang, Yi; Pant, Kapil

2013-01-01

This paper presents an analytical study of the cross-stream diffusion of an analyte in a rectangular microchannel under combined electroosmotic flow (EOF) and pressure driven flow to investigate the heterogeneous transport behavior and spatially-dependent diffusion scaling law. An analytical model capable of accurately describing 3D steady-state convection-diffusion in microchannels with arbitrary aspect ratios is developed based on the assumption of the thin Electric Double Layer (EDL). The model is verified against high-fidelity numerical simulation in terms of flow velocity and analyte concentration profiles with excellent agreement (parametric analysis is then undertaken to interrogate the effect of the combined flow velocity field on the transport behavior in both the positive pressure gradient (PPG) and negative pressure gradient (NPG) cases. For the first time, the evolution from the spindle-shaped concentration profile in the PPG case, via the stripe-shaped profile (pure EOF), and finally to the butterfly-shaped profile in the PPG case is obtained using the analytical model along with a quantitative depiction of the spatially-dependent diffusion layer thickness and scaling law across a wide range of the parameter space.

Spatial Mapping of Translational Diffusion Coefficients Using Diffusion Tensor Imaging: A Mathematical Description.

Science.gov (United States)

Shetty, Anil N; Chiang, Sharon; Maletic-Savatic, Mirjana; Kasprian, Gregor; Vannucci, Marina; Lee, Wesley

2014-01-01

In this article, we discuss the theoretical background for diffusion weighted imaging and diffusion tensor imaging. Molecular diffusion is a random process involving thermal Brownian motion. In biological tissues, the underlying microstructures restrict the diffusion of water molecules, making diffusion directionally dependent. Water diffusion in tissue is mathematically characterized by the diffusion tensor, the elements of which contain information about the magnitude and direction of diffusion and is a function of the coordinate system. Thus, it is possible to generate contrast in tissue based primarily on diffusion effects. Expressing diffusion in terms of the measured diffusion coefficient (eigenvalue) in any one direction can lead to errors. Nowhere is this more evident than in white matter, due to the preferential orientation of myelin fibers. The directional dependency is removed by diagonalization of the diffusion tensor, which then yields a set of three eigenvalues and eigenvectors, representing the magnitude and direction of the three orthogonal axes of the diffusion ellipsoid, respectively. For example, the eigenvalue corresponding to the eigenvector along the long axis of the fiber corresponds qualitatively to diffusion with least restriction. Determination of the principal values of the diffusion tensor and various anisotropic indices provides structural information. We review the use of diffusion measurements using the modified Stejskal-Tanner diffusion equation. The anisotropy is analyzed by decomposing the diffusion tensor based on symmetrical properties describing the geometry of diffusion tensor. We further describe diffusion tensor properties in visualizing fiber tract organization of the human brain.

Tracer concentration contours in grain lattice and grain boundary diffusion

International Nuclear Information System (INIS)

Kim, Y. S.; Olander, D. R.

1997-01-01

Grain boundary diffusion plays a significant role in fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated during nuclear fission have to diffuse in the grain lattice and the boundary inside fuel pellets before they reach the open spaces in a fuel rod. These processes can be studied by 'tracer diffusion' techniques, by which grain boundary diffusivity can be estimated and directly used for low burn-up fission gas release analysis. However, only a few models accounting for the both processes are available and mostly handle them numerically due to mathematical complexity. Also the numerical solution has limitations in a practical use. In this paper, an approximate analytical solution in case of stationary grain boundary in a polycrystalline solid is developed for the tracer diffusion techniques. This closed-form solution is compared to available exact and numerical solutions and it turns out that it makes computation not only greatly easier but also more accurate than previous models. It can be applied to theoretical modelings for low burn-up fission gas release phenomena and experimental analyses as well, especially for PIE (post irradiation examination). (author)

Scattering by a plane-parallel layer with high concentration of optically soft particles

International Nuclear Information System (INIS)

Loiko, Valery A.; Berdnik, Vladimir V.

2009-01-01

A method describing light propagation in a plane-parallel light-scattering layer with large concentration of homogeneous particles is developed. It is based on the radiative transfer equation and the doubling method. The interference approximation is used to take into account collective scattering effects. Spectral dependence of transmitted light for a layer of nonabsorbing optically soft particles with subwavelength-sized particles is investigated. At small volume concentration of the particles the weak spectral dependences of wave exponents for coherently transmitted and diffuse light are observed. It is shown that in a layer with large volume concentration of the subwavelength-sized particles the wave exponent can exceed considerably the value of four, which takes place for the Rayleigh particles. The dependence of wave exponents for coherently transmitted and diffuse light on the refractive index and concentration of particles is investigated in detail. Multiple scattering of light results in the reduction of the exponent. The quantitative results are presented and discussed. It is shown that there is a range of wavelengths where the negative values of the wave exponent at the regime of multiple scattering are implemented.

Development of advanced methods for analysis of experimental data in diffusion

Science.gov (United States)

Jaques, Alonso V.

There are numerous experimental configurations and data analysis techniques for the characterization of diffusion phenomena. However, the mathematical methods for estimating diffusivities traditionally do not take into account the effects of experimental errors in the data, and often require smooth, noiseless data sets to perform the necessary analysis steps. The current methods used for data smoothing require strong assumptions which can introduce numerical "artifacts" into the data, affecting confidence in the estimated parameters. The Boltzmann-Matano method is used extensively in the determination of concentration - dependent diffusivities, D(C), in alloys. In the course of analyzing experimental data, numerical integrations and differentiations of the concentration profile are performed. These methods require smoothing of the data prior to analysis. We present here an approach to the Boltzmann-Matano method that is based on a regularization method to estimate a differentiation operation on the data, i.e., estimate the concentration gradient term, which is important in the analysis process for determining the diffusivity. This approach, therefore, has the potential to be less subjective, and in numerical simulations shows an increased accuracy in the estimated diffusion coefficients. We present a regression approach to estimate linear multicomponent diffusion coefficients that eliminates the need pre-treat or pre-condition the concentration profile. This approach fits the data to a functional form of the mathematical expression for the concentration profile, and allows us to determine the diffusivity matrix directly from the fitted parameters. Reformulation of the equation for the analytical solution is done in order to reduce the size of the problem and accelerate the convergence. The objective function for the regression can incorporate point estimations for error in the concentration, improving the statistical confidence in the estimated diffusivity matrix

Diffusion of uranium with several transition metals; Diffusion de l'uranium avec quelques metaux de transition

Energy Technology Data Exchange (ETDEWEB)

Adda, Y. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Philibert, J. [Institut de Recherches de la Siderurgie Francaise (IRSID), 78 - Saint-Germain-en-Laye (France)

1958-07-01

After a brief description of the experimental procedure, the curves representing the concentration versus the depth of penetration are presented for the various systems under study. From these curves, it is possible to derive the diffusion coefficient and the activation energy as functions of the concentration. Moreover in the multiphase region, these curves enable one to establish the equilibrium diagram. The growth kinetics of the various zones characterized by their micrographic aspect is also studied and the corresponding activation energies calculated. These activations energies are compared to the ones for the diffusion process at the same concentration. Finally in order to precise the diffusion mechanism, the Kirkendall effect is studied and the Darken intrinsic coefficients calculated. (author)Fren. [French] Apres avoir decrit brievement les methodes experimentales, nous presentons les courbes concentration-penetration caracterisant la diffusion dans les differents systemes etudies. Celles-ci permettent de calculer les coefficients de diffusion et leur energie d'activation, en fonction de la concentration, et de plus, dans le domaine polyphase, d'etablir le diagramme d'equilibre. En outre, on a etudie la cinetique de croissance des diverses zones caracterisees par leur aspect micrographique et calcule les energies d'activation correspondantes; celles-ci ont ete comparees aux energies d'activation de diffusion, pour les memes valeurs de la concentration. Enfin, en vue de preciser les mecanismes de diffusion, nous avons etudie l'effet Kirkendall et calcule les coefficients intrinseques de Darken. (auteur)

Frequency-dependent photothermal measurement of transverse thermal diffusivity of organic semiconductors

Energy Technology Data Exchange (ETDEWEB)

Brill, J. W.; Shahi, Maryam; Yao, Y. [Department of Physics and Astronomy, University of Kentucky, Lexington, Kentucky 40506-0055 (United States); Payne, Marcia M.; Anthony, J. E. [Department of Chemistry, University of Kentucky, Lexington, Kentucky 40506-0055 (United States); Edberg, Jesper; Crispin, Xavier [Department of Science and Technology, Organic Electronics, Linköping University, SE-601 74 Norrköping (Sweden)

2015-12-21

We have used a photothermal technique, in which chopped light heats the front surface of a small (∼1 mm{sup 2}) sample and the chopping frequency dependence of thermal radiation from the back surface is measured with a liquid-nitrogen-cooled infrared detector. In our system, the sample is placed directly in front of the detector within its dewar. Because the detector is also sensitive to some of the incident light, which leaks around or through the sample, measurements are made for the detector signal that is in quadrature with the chopped light. Results are presented for layered crystals of semiconducting 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-pn) and for papers of cellulose nanofibrils coated with semiconducting poly(3,4-ethylene-dioxythiophene):poly(styrene-sulfonate) (NFC-PEDOT). For NFC-PEDOT, we have found that the transverse diffusivity, smaller than the in-plane value, varies inversely with thickness, suggesting that texturing of the papers varies with thickness. For TIPS-pn, we have found that the interlayer diffusivity is an order of magnitude larger than the in-plane value, consistent with previous estimates, suggesting that low-frequency optical phonons, presumably associated with librations in the TIPS side groups, carry most of the heat.

Dosis Facit Sanitatem—Concentration-Dependent Effects of Resveratrol on Mitochondria

Directory of Open Access Journals (Sweden)

Corina T. Madreiter-Sokolowski

2017-10-01

Full Text Available The naturally occurring polyphenol, resveratrol (RSV, is known for a broad range of actions. These include a positive impact on lifespan and health, but also pro-apoptotic anti-cancer properties. Interestingly, cell culture experiments have revealed a strong impact of RSV on mitochondrial function. The compound was demonstrated to affect mitochondrial respiration, structure and mass of mitochondria as well as mitochondrial membrane potential and, ultimately, mitochondria-associated cell death pathways. Notably, the mitochondrial effects of RSV show a very strict and remarkable concentration dependency: At low concentrations, RSV (<50 μM fosters cellular antioxidant defense mechanisms, activates AMP-activated protein kinase (AMPK- and sirtuin 1 (SIRT1-linked pathways and enhances mitochondrial network formation. These mechanisms crucially contribute to the cytoprotective effects of RSV against toxins and disease-related damage, in vitro and in vivo. However, at higher concentrations, RSV (>50 μM triggers changes in (sub-cellular Ca2+ homeostasis, disruption of mitochondrial membrane potential and activation of caspases selectively yielding apoptotic cancer cell death, in vitro and in vivo. In this review, we discuss the promising therapeutic potential of RSV, which is most probably related to the compound’s concentration-dependent manipulation of mitochondrial function and structure.

Solid state reaction studies in Fe3O4–TiO2 system by diffusion couple method

International Nuclear Information System (INIS)

Ren, Zhongshan; Hu, Xiaojun; Xue, Xiangxin; Chou, Kuochih

2013-01-01

Highlights: •The solid state reactions of Fe2O3-TiO2 system was studied by the diffusion couple method. •Different products were formed by diffusion, and the FeTiO3 was more stable phase. •The inter-diffusion coefficients and diffusion activation energy were estimated. -- Abstract: The solid state reactions in Fe 3 O 4 –TiO 2 system has been studied by diffusion couple experiments at 1323–1473 K, in which the oxygen partial pressure was controlled by the CO–CO 2 gas mixture. The XRD analysis was used to confirm the phases of the inter-compound, and the concentration profiles were determined by electron probe microanalysis (EPMA). Based on the concentration profile of Ti, the inter-diffusion coefficients in Fe 3 O 4 phase, which were both temperature and concentration of Ti ions dependent, were calculated by the modified Boltzmann–Matano method. According to the relation between the thickness of diffusion layer and temperature, the diffusion coefficient of the Fe 3 O 4 –TiO 2 system was obtained. According to the Arrhenius equation, the estimated diffusion activation energy was about 282.1 ± 18.8 kJ mol −1

One dimensional benchmark calculations using diffusion theory

International Nuclear Information System (INIS)

Ustun, G.; Turgut, M.H.

1986-01-01

This is a comparative study by using different one dimensional diffusion codes which are available at our Nuclear Engineering Department. Some modifications have been made in the used codes to fit the problems. One of the codes, DIFFUSE, solves the neutron diffusion equation in slab, cylindrical and spherical geometries by using 'Forward elimination- Backward substitution' technique. DIFFUSE code calculates criticality, critical dimensions and critical material concentrations and adjoint fluxes as well. It is used for the space and energy dependent neutron flux distribution. The whole scattering matrix can be used if desired. Normalisation of the relative flux distributions to the reactor power, plotting of the flux distributions and leakage terms for the other two dimensions have been added. Some modifications also have been made for the code output. Two Benchmark problems have been calculated with the modified version and the results are compared with BBD code which is available at our department and uses same techniques of calculation. Agreements are quite good in results such as k-eff and the flux distributions for the two cases studies. (author)

A development of simulation and analytical program for through-diffusion experiments for a single layer of diffusion media

International Nuclear Information System (INIS)

Sato, Haruo

2001-01-01

A program (TDROCK1. FOR) for simulation and analysis of through-diffusion experiments for a single layer of diffusion media was developed. This program was made by Pro-Fortran language, which was suitable for scientific and technical calculations, and relatively easy explicit difference method was adopted for an analysis. In the analysis, solute concentration in the tracer cell as a function of time that we could not treat to date can be input and the decrease in the solute concentration as a function of time by diffusion from the tracer cell to the measurement cell, the solute concentration distribution in the porewater of diffusion media and the solute concentration in the measurement cell as a function of time can be calculated. In addition, solution volume in both cells and diameter and thickness of the diffusion media are also variable as an input condition. This simulation program could well explain measured result by simulating solute concentration in the measurement cell as a function of time for case which apparent and effective diffusion coefficients were already known. Based on this, the availability and applicability of this program to actual analysis and simulation were confirmed. This report describes the theoretical treatment for the through-diffusion experiments for a single layer of diffusion media, analytical model, an example of source program and the manual. (author)

Concentration profiles near an activated enzyme.

Science.gov (United States)

Park, Soohyung; Agmon, Noam

2008-09-25

When a resting enzyme is activated, substrate concentration profile evolves in its vicinity, ultimately tending to steady state. We use modern theories for many-body effects on diffusion-influenced reactions to derive approximate analytical expressions for the steady-state profile and the Laplace transform of the transient concentration profiles. These show excellent agreement with accurate many-particle Brownian-dynamics simulations for the Michaelis-Menten kinetics. The steady-state profile has a hyperbolic dependence on the distance of the substrate from the enzyme, albeit with a prefactor containing the complexity of the many-body effects. These are most conspicuous for the substrate concentration at the surface of the enzyme. It shows an interesting transition as a function of the enzyme turnover rate. When it is high, the contact concentration decays monotonically to steady state. However, for slow turnover it is nonmonotonic, showing a minimum due to reversible substrate binding, then a maximum due to diffusion of new substrate toward the enzyme, and finally decay to steady state. Under certain conditions one can obtain a good estimate for the critical value of the turnover rate constant at the transition.

Atomic diffusion theory challenging the Cahn-Hilliard method

International Nuclear Information System (INIS)

Nastar, M.

2014-01-01

behaviors of the vacancy, the latter treated as either a conservative species (fixed concentration) or a nonconservative species (time-dependent equilibrium concentration). Relying on the same vacancy diffusion model, we perform kinetic Monte Carlo simulations starting from a sinusoidal composition modulation in binary model alloys, with no interaction or nearest-neighbor interactions leading to clustering or ordering tendencies, along the [100] crystallographic direction of a body centered cubic (bcc) lattice. The resulting temporal variation of the modulation amplitude is compared to the corresponding SCMF equations. Qualitative and satisfying quantitative agreements systematically strengthen our theoretical conclusions. The model alloys are shown to be representative enough of some real alloys, so that one may expect these new heterogeneous correlation effects to be non-negligible in these alloys. (author)

Utilizing Diffuse Reflection to Increase the Efficiency of Luminescent Solar Concentrators

Science.gov (United States)

Bowser, Seth; Weible, Seth; Solomon, Joel; Schrecengost, Jonathan; Wittmershaus, Bruce

A luminescent solar concentrator (LSC) consists of a high index solid plate containing a fluorescent material that converts sunlight into fluorescence. Utilizing total internal reflection, the LSC collects and concentrates the fluorescence at the plate's edges where it is converted into electricity via photovoltaic solar cells. The lower production costs of LSCs make them an attractive alternative to photovoltaic solar cells. To optimize an LSC's efficiency, a white diffusive surface (background) is positioned behind it. The background allows sunlight transmitted in the first pass to be reflected back through the LSC providing a second chance for absorption. Our research examines how the LSC's performance is affected by changing the distance between the white background and the LSC. An automated linear motion apparatus was engineered to precisely measure this distance and the LSC's electrical current, simultaneously. LSC plates, with and without the presence of fluorescent material and in an isolated environment, showed a maximum current at a distance greater than zero. Further experimentation has proved that the optimal distance results from the background's optical properties and how the reflected light enters the LSC. This material is based upon work supported by the National Science Foundation under Grant Number NSF-ECCS-1306157.

Temperature dependence of Self-diffusion coefficient (SDC) of liquid ...

African Journals Online (AJOL)

PROF HORSFALL

2018-04-09

Apr 9, 2018 ... inverse square relationship between the natural logarithm of self-diffusion ... using the Equilibrium Molecular Dynamics (MD) and ..... Density, and Viscosity of Liquid Aluminum and. Iron. J. Phys. Chem. Ref. Data 35 ... Atomic Diffusion in Condensed Matter. Nature. 381: 137. Einstein, A (1905). Annalen der ...

Transient hydrogen diffusion analyses coupled with crack-tip plasticity under cyclic loading

International Nuclear Information System (INIS)

Kotake, Hirokazu; Matsumoto, Ryosuke; Taketomi, Shinya; Miyazaki, Noriyuki

2008-01-01

The effect of hydrogen on the material strengths of metals is known as the hydrogen embrittlement, which affects the structural integrity of a hydrogen energy system. In the present paper, we developed a computer program for a transient hydrogen diffusion-elastoplastic coupling analysis by combining an in-house finite element program with a general purpose finite element computer program to analyze hydrogen diffusion. In this program, we use a hypothesis that the hydrogen absorbed in the metal affects the yield stress of the metal. In the present paper, we discuss the effects of the cyclic loading on the hydrogen concentration near the crack tip. An important finding we obtained here is the fact that the hydrogen concentration near the crack tip greatly depends on the loading frequency. This result indicates that the fatigue lives of the components in a hydrogen system depend not only on the number of loading cycles but also on the loading frequency

Neutron spectroscopy of fast hydrogen diffusion in BCC transition metals

International Nuclear Information System (INIS)

Richter, D.; Lottner, V.

1979-01-01

Quasielastic neutron scattering reveals microscopic details of both the time and space development of the H-diffusion process on an atomic scale. After outlining the method on the example of PdH/sub x/, new results on the jump geometry in bcc metals are surveyed. In particular, the anomalous diffusion behavior of H in Nb, Ta, and V at elevated temperature is emphasized, where correlated jump processes are important. The influence of impurities on the H-diffusion process is demonstrated by experiments performed on NbH/sub x/ doped with nitrogen impurities, which act as trapping centers for the diffusing hydrogen. The results are discussed in terms of a two-state random walk model which includes multiple trapping and detrapping processes. The concentration and temperature dependence of the capture and escape rates of traps are obtained

Flow-Injection Responses of Diffusion Processes and Chemical Reactions

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov

2000-01-01

tool of automated analytical chemistry. The need for an even lower consumption of chemicals and for computer analysis has motivated a study of the FIA peak itself, that is, a theoretical model was developed, that provides detailed knowledge of the FIA profile. It was shown that the flow in a FIA...... manifold may be characterised by a diffusion coefficient that depends on flow rate, denoted as the kinematic diffusion coefficient. The description was applied to systems involving species of chromium, both in the case of simple diffusion and in the case of chemical reactions. It is suggested that it may...... be used in the resolution of FIA profiles to obtain information about the content of interference’s, in the study of chemical reaction kinetics and to measure absolute concentrations within the FIA-detector cell....

Effect of increased carbon dioxide concentrations on stratospheric ozone

International Nuclear Information System (INIS)

Boughner, R.E.

1978-01-01

During the past several years, much attention has been focused on the destruction of ozone by anthropogenic pollutants such as the nitrogen oxides and chlorofluoromethane. Little or no attention has been given to the influence on ozone of an increased carbon dioxide concentration for which a measurable growth has been observed. Increased carbon dioxide can directly affect ozone by perturbing atmospheric temperatures, which will alter ozone production, whose rate displays a fairly strong temperature dependence. This paper presents one-dimensional model results for the steady state ozone behavior when the CO 2 concentration is twice its ambient level which account for coupling between chemistry and temperature. When the CO 2 level doubled, the total ozone burden increased in relation to the ambient burden by 1.2--2.5%, depending on the vertical diffusion coefficient used. Above 30 km. In this region the relation variations were insensitive to the choice of diffusion coefficient. Below 30 km, ozone concentrations were smaller than the unperturbed values and were sensitive to the vertical diffusion profile in this region (10--30 km). Ozone decreases in the lower stratosphere because of a reduction in ozone-producing solar radiation, which results in smaller downward ozone fluxes from the region at 25--30 km relative to the flux values for the ambient atmosphere. These offsetting changes occurring in the upper and lower stratosphere act to minimize the variation in total ozone

Determination of diffusion coefficients and diffusion characteristics for chlorferon and diethylthiophosphate in Ca-alginate gel beads.

Science.gov (United States)

Ha, Jiyeon; Engler, Cady R; Lee, Seung Jae

2008-07-01

Diffusion characteristics of chlorferon and diethylthiophosphate (DETP) in Ca-alginate gel beads were studied to assist in designing and operating bioreactor systems. Diffusion coefficients for chlorferon and DETP in Ca-alginate gel beads determined at conditions suitable for biodegradation studies were 2.70 x 10(-11) m(2)/s and 4.28 x 10(-11) m(2)/s, respectively. Diffusivities of chlorferon and DETP were influenced by several factors, including viscosity of the bulk solution, agitation speed, and the concentrations of diffusing substrate and immobilized cells. Diffusion coefficients increased with increasing agitation speed, probably due to poor mixing at low speed and some attrition of beads at high speeds. Diffusion coefficients also increased with decreasing substrate concentration. Increased cell concentration in the gel beads caused lower diffusivity. Theoretical models to predict diffusivities as a function of cell weight fraction overestimated the effective diffusivities for both chlorferon and DETP, but linear relations between effective diffusivity and cell weight fraction were derived from experimental data. Calcium-alginate gel beads with radii of 1.65-1.70 mm used in this study were not subject to diffusional limitations: external mass transfer resistances were negligible based on Biot number calculations and effectiveness factors indicated that internal mass transfer resistance was negligible. Therefore, the degradation rates of chlorferon and DETP inside Ca-alginate gel beads were reaction-limited. (c) 2007 Wiley Periodicals, Inc.

A Septin-Dependent Diffusion Barrier at Dendritic Spine Necks.

Directory of Open Access Journals (Sweden)

Helge Ewers

Full Text Available Excitatory glutamatergic synapses at dendritic spines exchange and modulate their receptor content via lateral membrane diffusion. Several studies have shown that the thin spine neck impedes the access of membrane and solute molecules to the spine head. However, it is unclear whether the spine neck geometry alone restricts access to dendritic spines or if a physical barrier to the diffusion of molecules exists. Here, we investigated whether a complex of septin cytoskeletal GTPases localized at the base of the spine neck regulates diffusion across the spine neck. We found that, during development, a marker of the septin complex, Septin7 (Sept7, becomes localized to the spine neck where it forms a stable structure underneath the plasma membrane. We show that diffusion of receptors and bulk membrane, but not cytoplasmic proteins, is slower in spines bearing Sept7 at their neck. Finally, when Sept7 expression was suppressed by RNA interference, membrane molecules explored larger membrane areas. Our findings indicate that Sept7 regulates membrane protein access to spines.

Neutron scattering for investigation into the connection between phonons and diffusion in metallic systems

International Nuclear Information System (INIS)

Herzig, C.

1995-01-01

For examining the connection between the diffusion systematics and the lattice dynamics of the body-centered cubic metals, the temperature dependence of the self-diffusion (radiotracer technique) and the phonon dispersion (neutron scattering) have been measured in selected systems. In continuation of previous studies, the goal of the examinations reported was to put the earlier developed phonon-related diffusion model on a broader experimental basis, in order to perform verifying analyses. The phonon dispersion of the group 5 metal Nb has been measured up to high temperatures. In contrast to the values measured for the group 4 (β-Zr) and group 6 (Cr) metals, the dispersion in Nb revealed an only very weak temperature dependence. The exceptional case of the bcc β-Tl has been examined by measuring the diffusion and the dispersion in the β-T 83 In 17 alloy. Significant deviations from the conditions in the bcc transition metals have been found. Self-diffusion has been measured for the first time in Ba and β-Sc. Their diffusion systematics correlate with electron configuration. The influence of the d-electron concentration on the diffusion systematics has been measured in Ti-Mo and Hf-Nb alloys, the results backing the predictions of the phonon-related diffusion model. (orig.) [de

Elucidating the role of select cytoplasmic proteins in altering diffusion of integrin receptors.

Science.gov (United States)

Sander, Suzanne; Arora, Neha; Smith, Emily A

2012-06-01

Cytoplasmic proteins that affect integrin diffusion in the cell membrane are identified using a combination of fluorescence recovery after photobleaching (FRAP) and RNA interference. Integrin receptors are essential for many cellular events, and alterations in lateral diffusion are one mechanism for modulating their function. In cells expressing native cytoplasmic protein concentrations and spread on a slide containing integrin extracellular ligand, 45 ± 2% of the integrin is mobile with a time-dependent 5.2 ± 0.9 × 10(-9) cm(2)/s diffusion coefficient at 1 s. The time exponent is 0.90 ± 0.07, indicating integrin diffusion moderately slows at longer times. The role of a specific cytoplasmic protein in altering integrin diffusion is revealed through changes in the FRAP curve after reducing the cytoplasmic protein's expression. Decreased expression of cytoplasmic proteins rhea, focal adhesion kinase (FAK), or steamer duck decreases the integrin mobile fraction. For rhea and FAK, there is a concomitant shift to Brownian (i.e., time-independent) diffusion at reduced concentrations of these proteins. In contrast, when the expression of actin 42A, dreadlocks, paxillin, integrin-linked kinase (ILK), or vinculin is reduced, integrin diffusion generally becomes more constrained with an increase in the integrin mobile fraction. This same change in integrin diffusion is measured in the absence of integrin extracellular ligand. The results indicate breaking the extracellular ligand-integrin-cytoskeletal linkage alters integrin diffusion properties, and, in most cases, there is no correlation between integrin and lipid diffusion properties.

Method for measurement of radon diffusion and solubility in solid materials

Science.gov (United States)

Maier, Andreas; Weber, Uli; Dickmann, Jannis; Breckow, Joachim; van Beek, Patrick; Schardt, Dieter; Kraft, Gerhard; Fournier, Claudia

2018-02-01

In order to study the permeation i.e. the diffusion and solubility of radon gas in biological material, a new setup was constructed and a novel analysis was applied to obtain diffusion and solubility coefficients. Thin slabs of solid materials were installed between detector housing and the surrounding radon exposure chamber of 50 Ls volume. In this setup radon can diffuse through thin test samples into a cylindrical volume of 5 mm height and 20 mm diameter and reach an α-particle detector. There the 5.49 MeV α-decay of the penetrating radon atoms is measured by a silicon surface barrier detector. The time dependent activities inside the small detector volume are recorded after injection of a known radon activity concentration into the outer chamber. Analyzing the time behavior of the integral α-activity from radon in the small vessel, both, the diffusion coefficient and solubility of the test material can be determined, based on a new mathematical model of the diffusion process concerning the special boundary conditions given by the experimental setup. These first measurements were intended as proof of concept for the detection system and the data analysis. Thin polyethylene foils (LDPE) were selected as material for the diffusion measurements and the results were in agreement with data from literature. In further measurements, we will concentrate on biological material like bone, fat and other tissues.

An inverse diffusivity problem for the helium production–diffusion equation

International Nuclear Information System (INIS)

Bao, Gang; Xu, Xiang

2012-01-01

Thermochronology is a technique for the extraction of information about the thermal history of rocks. Such information is crucial for determining the depth below the surface at which rocks were located at a given time (Bao G et al 2011 Commun. Comput. Phys. 9 129). Mathematically, extracting the time–temperature path can be formulated as an inverse diffusivity problem for the helium production–diffusion equation which is the underlying process of thermochronology. In this paper, to reconstruct the diffusivity which depends on space only and accounts for the structural information of rocks, a local Hölder conditional stability is obtained by a Carleman estimate. A uniqueness result is also proven for extracting the thermal history, i.e. identifying the time-dependant part of the diffusion coefficient, provided that it is analytical with respect to time. Numerical examples are presented to illustrate the validity and effectiveness of the proposed regularization scheme. (paper)

Diffuse Hepatic Calcifications in a Transfusion-Dependent Patient with Beta-Thalassemia: A Case Report

Directory of Open Access Journals (Sweden)

Forough Saki

2013-09-01

Full Text Available Hepatic calcification is usually associated with infectious, vascular, or neoplastic processes in the liver. We report the first case of beta-thalassemia major with isolated diffuse hepatic calcification in a 23 year old woman, who had been transfusion-dependent since the age of 6 months. She was referred to our center with a chief complaint of abdominal pain. Computed tomography scan of the abdomen revealed diffuse hepatic calcification in the right, left, and caudate lobes of the liver. Her medical history disclosed hypoparathyroidism as well as chronic hepatitis C virus infection, which was successfully treated but led to early micronodular cirrhosis on liver biopsy. Other studies done to search for the cause of hepatic calcification failed to reveal any abnormalities. We suspect that hypoparathyroidism caused liver calcification, and should be, therefore, considered in the differential diagnosis of hepatic calcification if other causative factors have been ruled out.

Density-Dependent Conformable Space-time Fractional Diffusion-Reaction Equation and Its Exact Solutions

Science.gov (United States)

Hosseini, Kamyar; Mayeli, Peyman; Bekir, Ahmet; Guner, Ozkan

2018-01-01

In this article, a special type of fractional differential equations (FDEs) named the density-dependent conformable fractional diffusion-reaction (DDCFDR) equation is studied. Aforementioned equation has a significant role in the modelling of some phenomena arising in the applied science. The well-organized methods, including the \\exp (-φ (\\varepsilon )) -expansion and modified Kudryashov methods are exerted to generate the exact solutions of this equation such that some of the solutions are new and have been reported for the first time. Results illustrate that both methods have a great performance in handling the DDCFDR equation.

Synthesis and concentration dependent antibacterial activities of CuO nanoflakes

Energy Technology Data Exchange (ETDEWEB)

Pandiyarajan, T.; Udayabhaskar, R. [Department of Physics, National Institute of Technology, Tiruchirappalli 620 015 (India); Vignesh, S.; James, R. Arthur [Department of Marine Science, Bharathidasan University, Tiruchirappalli 620 024 (India); Karthikeyan, B., E-mail: balkarin@yahoo.com [Department of Physics, National Institute of Technology, Tiruchirappalli 620 015 (India)

2013-05-01

We report, synthesis and antibacterial activities of CuO nanoflakes. CuO nanoparticles are prepared at room temperature through sol–gel method. X-ray diffraction studies show the particles are monoclinic (crystalline) in nature. Scanning electron microscopy (SEM) images clearly show that the prepared particles are flake like in structure. Fourier transform infrared (FTIR) spectra exhibits three different bands that correspond to the A{sub u} and B{sub u} modes. Antibacterial studies were performed on Shigella flexneri, Staphylococcus aureus, Staphylococcus epidermidis, Salmonella typhimurium, Bacillus subtilis, Escherichia coli, Vibrio cholera, Pseudomonas aeruginosa and Aeromonas liquefaciens bacterial strains. Among these bacterial strains, S. flexneri and B. subtilis are most sensitive to copper oxide nanoparticles than the positive control (Penicillin G) and S. typhimurium strain shows the less sensitive. Results show that sensitivity is highly dependent on the concentrations of CuO nanoflakes. - Highlights: ► CuO nanoflakes are prepared through simple sol–gel method at room temperature. ► Bacterial strains are highly affected by CuO nanoflakes than the positive control. ► Zone of inhibition increases with an increase of CuO concentrations. ► Sensitivity is highly dependent on the concentrations of CuO nanoflakes.

Synthesis and concentration dependent antibacterial activities of CuO nanoflakes

International Nuclear Information System (INIS)

Pandiyarajan, T.; Udayabhaskar, R.; Vignesh, S.; James, R. Arthur; Karthikeyan, B.

2013-01-01

We report, synthesis and antibacterial activities of CuO nanoflakes. CuO nanoparticles are prepared at room temperature through sol–gel method. X-ray diffraction studies show the particles are monoclinic (crystalline) in nature. Scanning electron microscopy (SEM) images clearly show that the prepared particles are flake like in structure. Fourier transform infrared (FTIR) spectra exhibits three different bands that correspond to the A u and B u modes. Antibacterial studies were performed on Shigella flexneri, Staphylococcus aureus, Staphylococcus epidermidis, Salmonella typhimurium, Bacillus subtilis, Escherichia coli, Vibrio cholera, Pseudomonas aeruginosa and Aeromonas liquefaciens bacterial strains. Among these bacterial strains, S. flexneri and B. subtilis are most sensitive to copper oxide nanoparticles than the positive control (Penicillin G) and S. typhimurium strain shows the less sensitive. Results show that sensitivity is highly dependent on the concentrations of CuO nanoflakes. - Highlights: ► CuO nanoflakes are prepared through simple sol–gel method at room temperature. ► Bacterial strains are highly affected by CuO nanoflakes than the positive control. ► Zone of inhibition increases with an increase of CuO concentrations. ► Sensitivity is highly dependent on the concentrations of CuO nanoflakes

Diffusion through statically compacted clay

International Nuclear Information System (INIS)

Ho, C.L.; Shebl, M.A.A.

1994-01-01

This paper presents experimental work on the effect of compaction on contaminant flow through clay liners. The experimental program included evaluation of soil properties, compaction, permeability and solute diffusion. A permeameter was built of non reactive materials to test samples compacted at different water contents and compactive efforts. The flow of a permeating solute, LiCl, was monitored. Effluent samples were collected for solute concentration measurements. The concentrations were measured by performing atomic adsorption tests. The analyzed results showed different diffusion characteristics when compaction conditions changed. At each compactive effort, permeability decreased as molding water content increased. Consequently, transit time (measured at relative concentration 50%) increased and diffusivity decreased. As compactive effort increased for soils compacted dry of optimum, permeability and diffusion decreased. On the other hand, as compactive effort increased for soils compacted wet of optimum, permeability and diffusivity increased. Tortuosity factor was indirectly measured from the diffusion and retardation rate. Tortuosity factor also decreased as placement water content was increased from dry of optimum to wet of optimum. Then decreases were more pronounced for low compactive effort tests. 27 refs., 7 figs., 5 tabs

Elemental Mercury Diffusion Processes and Concentration at the Lunar Poles

Science.gov (United States)

Moxley, Frederick; Killen, Rosemary M.; Hurley, Dana M.

2011-01-01

In 2009, the Lyman Alpha Mapping Project (LAMP) spectrograph onboard the Lunar Reconnaissance Orbiter (LRO) spacecraft made the first detection of element mercury (Hg) vapor in the lunar exosphere after the Lunar Crater Observing and Sensing Satellite (LCROSS) Centaur rocket impacted into the Cabeus crater in the southern polar region of the Moon. The lunar regolith core samples from the Apollo missions determined that Hg had a devolatilized pattern with a concentration gradient increasing with depth, in addition to a layered pattern suggesting multiple episodes of burial and volatile loss. Hg migration on the lunar surface resulted in cold trapping at the poles. We have modeled the rate at which indigenous Hg is lost from the regolith through diffusion out of lunar grains. We secondly modeled the migration of Hg vapor in the exosphere and estimated the rate of cold-trapping at the poles using a Monte Carlo technique. The Hg vapor may be lost from the exosphere via ionization, Jeans escape, or re-impact into the surface causing reabsorption.

Measurement of diffusion coefficient of thallium ion in H2O and D2O systems at different concentrations

International Nuclear Information System (INIS)

Das, A.; Changdar, S.N.

1992-01-01

Sliding cell method, developed in our laboratory, has been used to measure the inter diffusion coefficient of thallium ion in thallous sulphate solution over a wide concentration range using both water and heavy water as solvent at 35degC. The results have been analysed from the point of view of both ion-ion and ion-solvent interactions. The comparison of the diffusivities of the same ion in D 2 O and H 2 O electrolyte solutions at the same temperature indicate that the addition of salt affects the two solvent differently. (author). 8 refs., 1 fig., 1 tab

A multidimensional multigroup diffusion model for the determination of the frequency-dependent field of view of a neutron detector

International Nuclear Information System (INIS)

van der Hagen, T.H.J.J.; Hoogenboom, J.E.; van Dam, H.

1992-01-01

This paper reports on the sensitivity of a neutron detector to parametric fluctuations in the core of a reactor which depends on the position and the frequency of the perturbation. The basic neutron diffusion model for the calculation of this so-called field of view (FOV) of the detector is extended with respect to the dimensionality of the problem and the number of energy groups involved. The physical meaning of the FOV concept is illustrated by means of some simple examples, which can be handled analytically. The possibility of calculating the FOV by a conventional neutron diffusion code is demonstrated. In that case, the calculation in n neutron energy groups leads to 2n modified neutron diffusion equations

The effects of ageing on mouse muscle microstructure: a comparative study of time-dependent diffusion MRI and histological assessment.

Science.gov (United States)

Porcari, Paola; Hall, Matt G; Clark, Chris A; Greally, Elizabeth; Straub, Volker; Blamire, Andrew M

2018-03-01

The investigation of age-related changes in muscle microstructure between developmental and healthy adult mice may help us to understand the clinical features of early-onset muscle diseases, such as Duchenne muscular dystrophy. We investigated the evolution of mouse hind-limb muscle microstructure using diffusion imaging of in vivo and in vitro samples from both actively growing and mature mice. Mean apparent diffusion coefficients (ADCs) of the gastrocnemius and tibialis anterior muscles were determined as a function of diffusion time (Δ), age (7.5, 22 and 44 weeks) and diffusion gradient direction, applied parallel or transverse to the principal axis of the muscle fibres. We investigated a wide range of diffusion times with the goal of probing a range of diffusion lengths characteristic of muscle microstructure. We compared the diffusion time-dependent ADC of hind-limb muscles with histology. ADC was found to vary as a function of diffusion time in muscles at all stages of maturation. Muscle water diffusivity was higher in younger (7.5 weeks) than in adult (22 and 44 weeks) mice, whereas no differences were observed between the older ages. In vitro data showed the same diffusivity pattern as in vivo data. The highlighted differences in diffusion properties between young and mature muscles suggested differences in underlying muscle microstructure, which were confirmed by histological assessment. In particular, although diffusion was more restricted in older muscle, muscle fibre size increased significantly from young to adult age. The extracellular space decreased with age by only ~1%. This suggests that the observed diffusivity differences between young and adult muscles may be caused by increased membrane permeability in younger muscle associated with properties of the sarcolemma. Copyright © 2018 John Wiley & Sons, Ltd.

Tunneling Characteristics Depending on Schottky Barriers and Diffusion Current in SiOC.

Science.gov (United States)

Oh, Teresa; Kim, Chy Hyung

2016-02-01

To obtain a diffusion current in SiOC, the aluminum doped zinc oxide films were deposited on SiOC/Si wafer by a RF magnetron sputtering. All the X-ray patterns of the SiOC films showed amorphous phases. The level of binding energy of Si atoms will lead to an additional potential modulation by long range Coulombic and covalent interactions with oxygen ions. The growth of the AZO film was affected by the characteristics of SiOC, resulting in similar trends in XPS spectra and a shift to higher AZO lattice d values than the original AZO d values in XRD analyses. The charges trapped by the defects at the interlayer between AZO and SiOC films induced the decreased mobility of carriers. In the absence of trap charges, AZO grown on SiOC film such as the sample prepared at O2 = 25 or 30 sccm, which has low charge carrier concentration and high mobility, showed high mobility in an ambipolar characteristic of oxide semiconductor due to the tunneling effect and diffusion current. The structural matching of an interface between AZO and amorphous SiOC enhanced the height of Schottky Barrier (SB), and then the mobility was increased by the tunneling effect from band to band through the high SB.

Diffusion studies of anamorphic GRIN lenses

Science.gov (United States)

Sekh, Md. Asraful; SoodBiswas, Nisha; Sarkar, Samir; Basuray, Amitabha

2016-12-01

The present paper reports the diffusion study of cylindrical GRIN rod with elliptical cross section, developed by ion exchange process. The diffusion equation takes the form of Mathieu equations when transform into elliptic coordinate system and the solutions are derived in terms of angular and radial Mathieu functions. Computations of eigenvalues and expansion coefficients as well as angular and radial Mathieu functions are made which shows good agreement with the existing results. Simpler expression for ionic concentration is derived using asymptotic formulae of the functions which are used for final computation of ionic concentration of diffusing cations in elliptic GRIN. The plot of change in concentration versus diffusion depth along different directions approximately correlates with the results obtained by an earlier experimental study.

Solutes and cells - aspects of advection-diffusion-reaction phenomena in biochips

DEFF Research Database (Denmark)

Vedel, Søren

2012-01-01

the dependencies on density. This shows that the varied single-cell behavior including the overall modulations imposed by density arise as a natural consequence of pseudopod-driven motility in a social context. The final subproject concerns the combined effects of advection, diffusion and reaction of several......Cell’), and the overall title of the project is Solutes and cells — aspects of advection-diffusion-reaction phenomena in biochips. The work has consisted of several projects focusing on theory, and to some extend analysis of experimental data, with advection-diffusion-reaction phenomena of solutes as the recurring theme...... quantitatively interpret the proximal concentration of specific solutes, and integrate this to achieve biological functions. In three specific examples, the author and co-workers have investigated different aspects of the influence of advection, diffusion and reaction on solute distributions, as well...

Qualitative Analysis of a Diffusive Ratio-Dependent Holling-Tanner Predator-Prey Model with Smith Growth

Directory of Open Access Journals (Sweden)

Zongmin Yue

2013-01-01

Full Text Available We investigated the dynamics of a diffusive ratio-dependent Holling-Tanner predator-prey model with Smith growth subject to zero-flux boundary condition. Some qualitative properties, including the dissipation, persistence, and local and global stability of positive constant solution, are discussed. Moreover, we give the refined a priori estimates of positive solutions and derive some results for the existence and nonexistence of nonconstant positive steady state.

Concentration contours in lattics and grain boundary diffusion in a polycrystalline solid

International Nuclear Information System (INIS)

Kim, Yong Soo; Jae, Won Mok; El Saied, Usama; Olander, Donald R.

1995-01-01

Grain boundary diffusion plays significant role in the fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated inside fuel pellet have to diffuse in the lattice and in the grain boundary before they reach open space in the fuel rod. In the mean time, the grains in the fuel pellet grow and shrink according to grain growth kinetics, especially at elevated temperature at which nuclear reactors are operating. Thus the boundary movement ascribed to the grain growth greatly influences the fission gas release rate by lengthening or shortening the lattice diffusion distance, which is the rate limiting step. Sweeping fission gases by the moving boundary contributes to the increment of the fission gas release as well. Lattice and grain boundary diffusion processes in the fission gas release can be studied by 'tracer diffusion' technique, by which grain boundary diffusivity can be estimated and used directly for low burn up fission gas release analysis. However, even for tracer diffusion analysis, taking both the intragranular grain growth and the diffusion processes simultaneously into consideration is not easy. Only a few models accounting for the both processes are available and mostly handle them numerically. Numerical solutions are limited in the practical use. Here in this paper, an approximate analytical solution of the lattice and stationary grain boundary diffusion in a polycrystalline solid is developed for the tracer diffusion techniques. This short closed form solution is compared to available exact and numerical solutions and turns out to be acceptably accurate. It can be applied to the theoretical modeling and the experimental analysis, especially PIE (post irradiation examination), of low burn up fission gas release

EPES information depth for an overlayer/substrate system with a diffuse interface

International Nuclear Information System (INIS)

Zommer, L.

2009-01-01

The information depth (ID) of elastic peak electron spectroscopy (EPES) was considered for an overlayer/substrate system with a diffuse interface. The interface was assumed to have an exponential concentration profile. The paradox previously found by Zommer and Jablonski for the Rh/Al and Al/Rh systems with sharp interfaces also occurs for these systems with diffuse interfaces. We compared IDs for diffuse and sharp interfaces. Deviations between the IDs depend on the interface width, overlayer thickness, and selected system for a given primary energy (here 2000 eV). The deviations for the Rh/Al and Al/Rh systems differ profoundly. These results are of importance when interpreting EPES measurements of layered system

User's guide for polyethylene-based passive diffusion bag samplers to obtain volatile organic compound concentrations in wells. Part 2, Field tests

Science.gov (United States)

Vroblesky, Don A.

2001-01-01

Diffusion samplers installed in observation wells were found to be capable of yielding representative water samples for chlorinated volatile organic compounds. The samplers consisted of polyethylene bags containing deionized water and relied on diffusion of chlorinated volatile organic compounds through the polyethylene membrane. The known ability of polyethylene to transmit other volatile compounds, such as benzene and toluene, indicates that the samplers can be used for a variety of volatile organic compounds. In wells at the study area, the volatile organic compound concentrations in water samples obtained using the samplers without prior purging were similar to concentrations in water samples obtained from the respective wells using traditional purging and sampling approaches. The low cost associated with this approach makes it a viable option for monitoring large observation-well networks for volatile organic compounds.

DOC concentrations across a depth-dependent light gradient on a Caribbean coral reef

Directory of Open Access Journals (Sweden)

Benjamin Mueller

2017-06-01

Full Text Available Photosynthates released by benthic primary producers (BPP, such as reef algae and scleractinian corals, fuel the dissolved organic carbon (DOC production on tropical coral reefs. DOC concentrations near BPP have repeatedly been observed to be elevated compared to those in the surrounding water column. As the DOC release of BPP increases with increasing light availability, elevated DOC concentrations near them will, in part, also depend on light availability. Consequently, DOC concentrations are likely to be higher on the shallow, well-lit reef terrace than in deeper sections on the fore reef slope. We measured in situ DOC concentrations and light intensity in close proximity to the reef alga Dictyota sp. and the scleractinian coral Orbicella faveolata along a depth-dependent light gradient from 5 to 20 m depth and compared these to background concentrations in the water column. At 10 m (intermediate light, DOC concentrations near Dictyota sp. were elevated by 15 µmol C L−1 compared to background concentrations in the water column, but not at 5 and 20 m (high and low light, respectively, or near O. faveolata at any of the tested depths. DOC concentrations did not differ between depths and thereby light environments for any of the tested water types. However, water type and depth appear to jointly affect in situ DOC concentrations across the tested depth-dependent light gradient. Corroborative ex situ measurements of excitation pressure on photosystem II suggest that photoinhibition in Dictyota sp. is likely to occur at light intensities that are commonly present on Curaçaoan coral reefs under high light levels at 5 m depth during midday. Photoinhibition may have thereby reduced the DOC release of Dictyota sp. and DOC concentrations in its close proximity. Our results indicate that the occurrence of elevated DOC concentrations did not follow a natural light gradient across depth. Instead, a combination of multiple factors, such as water type

DOC concentrations across a depth-dependent light gradient on a Caribbean coral reef.

Science.gov (United States)

Mueller, Benjamin; Meesters, Erik H; van Duyl, Fleur C

2017-01-01

Photosynthates released by benthic primary producers (BPP), such as reef algae and scleractinian corals, fuel the dissolved organic carbon (DOC) production on tropical coral reefs. DOC concentrations near BPP have repeatedly been observed to be elevated compared to those in the surrounding water column. As the DOC release of BPP increases with increasing light availability, elevated DOC concentrations near them will, in part, also depend on light availability. Consequently, DOC concentrations are likely to be higher on the shallow, well-lit reef terrace than in deeper sections on the fore reef slope. We measured in situ DOC concentrations and light intensity in close proximity to the reef alga Dictyota sp. and the scleractinian coral Orbicella faveolata along a depth-dependent light gradient from 5 to 20 m depth and compared these to background concentrations in the water column. At 10 m (intermediate light), DOC concentrations near Dictyota sp. were elevated by 15 µmol C L -1 compared to background concentrations in the water column, but not at 5 and 20 m (high and low light, respectively), or near O. faveolata at any of the tested depths. DOC concentrations did not differ between depths and thereby light environments for any of the tested water types. However, water type and depth appear to jointly affect in situ DOC concentrations across the tested depth-dependent light gradient. Corroborative ex situ measurements of excitation pressure on photosystem II suggest that photoinhibition in Dictyota sp. is likely to occur at light intensities that are commonly present on Curaçaoan coral reefs under high light levels at 5 m depth during midday. Photoinhibition may have thereby reduced the DOC release of Dictyota sp. and DOC concentrations in its close proximity. Our results indicate that the occurrence of elevated DOC concentrations did not follow a natural light gradient across depth. Instead, a combination of multiple factors, such as water type, light

A proposed parameterization of interface discontinuity factors depending on neighborhood for pin-by-pin diffusion computations for LWR

International Nuclear Information System (INIS)

Herrero, Jose Javier; Garcia-Herranz, Nuria; Ahnert, Carol

2011-01-01

There exists an interest in performing full core pin-by-pin computations for present nuclear reactors. In such type of problems the use of a transport approximation like the diffusion equation requires the introduction of correction parameters. Interface discontinuity factors can improve the diffusion solution to nearly reproduce a transport solution. Nevertheless, calculating accurate pin-by-pin IDF requires the knowledge of the heterogeneous neutron flux distribution, which depends on the boundary conditions of the pin-cell as well as the local variables along the nuclear reactor operation. As a consequence, it is impractical to compute them for each possible configuration. An alternative to generate accurate pin-by-pin interface discontinuity factors is to calculate reference values using zero-net-current boundary conditions and to synthesize afterwards their dependencies on the main neighborhood variables. In such way the factors can be accurately computed during fine-mesh diffusion calculations by correcting the reference values as a function of the actual environment of the pin-cell in the core. In this paper we propose a parameterization of the pin-by-pin interface discontinuity factors allowing the implementation of a cross sections library able to treat the neighborhood effect. First results are presented for typical PWR configurations. (author)

A proposed parameterization of interface discontinuity factors depending on neighborhood for pin-by-pin diffusion computations for LWR

Energy Technology Data Exchange (ETDEWEB)

Herrero, Jose Javier; Garcia-Herranz, Nuria; Ahnert, Carol, E-mail: herrero@din.upm.es, E-mail: nuria@din.upm.es, E-mail: carol@din.upm.es [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid (Spain)

2011-07-01

There exists an interest in performing full core pin-by-pin computations for present nuclear reactors. In such type of problems the use of a transport approximation like the diffusion equation requires the introduction of correction parameters. Interface discontinuity factors can improve the diffusion solution to nearly reproduce a transport solution. Nevertheless, calculating accurate pin-by-pin IDF requires the knowledge of the heterogeneous neutron flux distribution, which depends on the boundary conditions of the pin-cell as well as the local variables along the nuclear reactor operation. As a consequence, it is impractical to compute them for each possible configuration. An alternative to generate accurate pin-by-pin interface discontinuity factors is to calculate reference values using zero-net-current boundary conditions and to synthesize afterwards their dependencies on the main neighborhood variables. In such way the factors can be accurately computed during fine-mesh diffusion calculations by correcting the reference values as a function of the actual environment of the pin-cell in the core. In this paper we propose a parameterization of the pin-by-pin interface discontinuity factors allowing the implementation of a cross sections library able to treat the neighborhood effect. First results are presented for typical PWR configurations. (author)

Mass transfer during sulfuric acid concentration by evaporation into the air flow

Directory of Open Access Journals (Sweden)

V. K. Lukashov

2016-12-01

Full Text Available This article shows the results of the study of mass transfer under periodic concentration of sulfuric acid by evaporation inthe gas flow, neutral with respect to the components of acid.Used mathematical model for mass transferbases on the proposed simplified physical representations.This model has allowed to construct an algorithm for calculation the coefficient of mass transfer from the liquid phase into the gas flow. The algorithm uses the experimental data of change the amount of acid and concentration of the water taken from the laboratory tests. Time-based Nusselt diffusion criterion represent the results of the study at different modes of the evaporation process.It has been found that the character of the influence of temperature and initial acid concentration on Nusselt diffusion criterion depends on the variation range of the mass fraction of water in the acid.It is shown that these dependences are well approximated by an exponential function from the dimensionless parameters of the process. This allows usingthem for calculation the mass transfer coefficient into the gas phase in a batch process of concentrating in the range of investigated modes.

Role of material properties and mechanical constraint on stress-assisted diffusion in plate electrodes of lithium ion batteries

International Nuclear Information System (INIS)

Song Yicheng; Zhang Junqian; Shao Xianjun; Guo Zhansheng

2013-01-01

This work investigates the stress-assisted diffusion of lithium ions in layered electrodes of Li-ion batteries. Decoupled diffusion governing equations are obtained. Material properties, which are characterized by a single dimensionless parameter, and mechanical constraint between a current collector and an active layer, which is characterized by the elastic modulus ratio and thickness ratio between the layers, are identified as key factors that govern the stress-assisted diffusion. For a symmetric plate electrode, stress is induced by the Li-ion concentration gradient, and stress-assisted diffusion therefore depends only on the material properties. For an asymmetric bilayer electrode, mechanical constraint plays a very important role in the diffusion via generation of bending stress. Diffusion may be facilitated, or inversely impeded, according to the constraint. By summarizing the coupling factors of common active materials and investigating the concentration variation induced by stress-assisted diffusion in various electrodes, this work provides insights on stress-assisted diffusion in a layered electrode, as well as suggestions for relevant modelling works on whether the stress-assisted diffusion should be taken into account according to the selection of material and structure. (paper)

Mechanism of bactericidal activity of Silver Nitrate - a concentration dependent bi-functional molecule

Directory of Open Access Journals (Sweden)

Sureshbabu Ram Kumar Pandian

2010-10-01

Full Text Available Silver nitrate imparts different functions on bacteria depending upon its concentration. At lower concentration it induced synthesis of nanoparticles, whereas at higher concentrations it induced cell death. Bacillus licheniformis was used as model system. The MIC was 5 mM, and it induced catalase production, apoptotic body formation and DNA fragmentation.

Tritium diffusion in polycrystalline lithium tungstate

International Nuclear Information System (INIS)

Krutyakov, A.N.; Shadrin, A.A.; Saunin, E.I.; Gromov, V.V.; Shafiev, A.I.

1984-01-01

Using radiometric method the investigation of tritium separation from neutron irradiated (neutron flux density 1.2x10 13 n/cm 2 xs) polycrystalline Li 2 WO 4 in the temperature range 200-680 deg C has been carried out. It is established that the use of helium as gas-carrier of flow-type gas-discharge counter permits to conduct continuous stable measurements of concentrations of tritium extracted depending on its chemical state. It is shown that volume diffusion is the process, limiting tritiated particle separation rate from Li 2 WO 4 . It is found that the process of tritium volume diffusion in Li 2 WO 4 corresponds to two different mechanisms respectively in low- (200-300 deg C) and high-temperature (350-680 deg C) ranges. A supposition is made that in the low-temperature range the process of diffusion is conditioned by the dissociation of the radiation defect-tritiated particle complex, which is confirmed by the data on radiation defect annealing in Li 2 WO 4 . The value of activation energy of tritium separation process in the range 350-680 deg C, proved to be equal to 13.3 kJ/mol. Possible role of crystal structure peculiarities of Li 2 WO 4 for diffusion process is pointed out

Optimal Design for the Diffusion Plate with Nanoparticles in a Diffusive Solar Cell Window by Mie Scattering Simulation

Directory of Open Access Journals (Sweden)

Ruei-Tang Chen

2013-01-01

Full Text Available A diffusive solar cell window comprises a diffusion plate with TiO2 nanoparticles sandwiched between two glass layers. It is a simple, inexpensive, easy-to-made, and highly reliable transparent solar energy module. To improve its power generation efficiency as well as maintain indoor natural lighting, we examined the scattering mechanism in the diffusion plate with TiO2 nanoparticles within a diffusive solar cell window by Mie scattering simulations. In this work, a multiwavelength ASAP ray tracing model for a diffusive solar cell window with acceptable accuracy was developed to investigate the influence of the diffusion plate design parameter, mainly concentration of a diffusion plate with determined particle size distribution, on power generation efficiency and color shift of transmitted sun light. A concept of “effective average radius” was proposed to account for the equivalent scattering effect of a size distribution of quasispherical particles. Simulation results demonstrated that both the transmitted light and its correlated color temperature decreased as the concentration increased for a large-size diffusive solar cell window. However, there existed a maximum power generation efficiency at around 160 ppm concentration. The optimal design for a large-size diffusion plate inside a diffusive solar cell window by taking indoor lighting into account was suggested based on the simulation results.

Concentration-dependent fluorescence live-cell imaging and tracking of intracellular nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Seo, Ji Hye; Joo, Sang-Woo [Department of Chemistry, Soongsil University, Seoul 156-743 (Korea, Republic of); Cho, Keunchang [Logos Biosystems, Incorporated, Anyang 431-070 (Korea, Republic of); Lee, So Yeong, E-mail: leeso@snu.ac.kr, E-mail: sjoo@ssu.ac.kr [Laboratory of Pharmacology, College of Veterinary Medicine and Research Institute for Veterinary Science, Seoul National University, Seoul 151-742 (Korea, Republic of)

2011-06-10

Using live-cell imaging techniques we investigated concentration-dependent intracellular movements of fluorescence nanoparticles (NPs) in real-time after their entry into HeLa cells via incubation. Intracellular particle traces appeared to be a mixture of both random and fairly unidirectional movements of the particles. At rather low concentrations of NPs, a majority of the non-random intracellular particle trajectories are assumed to mostly go along microtubule networks after endocytosis, as evidenced from the inhibition test with nocodazole. On the other hand, as the concentrations of NPs increased, random motions were more frequently observed inside the cells.

Concentration-dependent fluorescence live-cell imaging and tracking of intracellular nanoparticles

International Nuclear Information System (INIS)

Seo, Ji Hye; Joo, Sang-Woo; Cho, Keunchang; Lee, So Yeong

2011-01-01

Using live-cell imaging techniques we investigated concentration-dependent intracellular movements of fluorescence nanoparticles (NPs) in real-time after their entry into HeLa cells via incubation. Intracellular particle traces appeared to be a mixture of both random and fairly unidirectional movements of the particles. At rather low concentrations of NPs, a majority of the non-random intracellular particle trajectories are assumed to mostly go along microtubule networks after endocytosis, as evidenced from the inhibition test with nocodazole. On the other hand, as the concentrations of NPs increased, random motions were more frequently observed inside the cells.

Solid state reaction studies in Fe{sub 3}O{sub 4}–TiO{sub 2} system by diffusion couple method

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhongshan [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Hu, Xiaojun, E-mail: huxiaojun@ustb.edu.cn [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Xue, Xiangxin [School of Materials and Metallurgy, Northeastern University, Shenyang 110006 (China); Chou, Kuochih [State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083 (China); School of Metallurgical and Ecological Engineering, University of Science and Technology Beijing, Beijing 100083 (China)

2013-12-15

Highlights: •The solid state reactions of Fe2O3-TiO2 system was studied by the diffusion couple method. •Different products were formed by diffusion, and the FeTiO3 was more stable phase. •The inter-diffusion coefficients and diffusion activation energy were estimated. -- Abstract: The solid state reactions in Fe{sub 3}O{sub 4}–TiO{sub 2} system has been studied by diffusion couple experiments at 1323–1473 K, in which the oxygen partial pressure was controlled by the CO–CO{sub 2} gas mixture. The XRD analysis was used to confirm the phases of the inter-compound, and the concentration profiles were determined by electron probe microanalysis (EPMA). Based on the concentration profile of Ti, the inter-diffusion coefficients in Fe{sub 3}O{sub 4} phase, which were both temperature and concentration of Ti ions dependent, were calculated by the modified Boltzmann–Matano method. According to the relation between the thickness of diffusion layer and temperature, the diffusion coefficient of the Fe{sub 3}O{sub 4}–TiO{sub 2} system was obtained. According to the Arrhenius equation, the estimated diffusion activation energy was about 282.1 ± 18.8 kJ mol{sup −1}.

Quantitative Measurements of Electronically Excited CH Concentration in Normal Gravity and Microgravity Coflow Laminar Diffusion Flames

Science.gov (United States)

Giassi, D.; Cao, S.; Stocker, D. P.; Takahashi, F.; Bennett, B. A. V.; Smooke, M. D.; Long, M. B.

2015-01-01

With the conclusion of the SLICE campaign aboard the ISS in 2012, a large amount of data was made available for the analysis of the effect of microgravity on laminar coflow diffusion flames. Previous work focused on the study of sooty flames in microgravity as well as the ability of numerical models to predict its formation in a simplified buoyancy-free environment. The current work shifts the investigation to soot-free flames, putting an emphasis on the chemiluminescence emission from electronically excited CH (CH*). This radical species is of significant interest in combustion studies: it has been shown that the electronically excited CH spatial distribution is indicative of the flame front position and, given the relatively simple diagnostic involved with its measurement, several works have been done trying to understand the ability of electronically excited CH chemiluminescence to predict the total and local flame heat release rate. In this work, a subset of the SLICE nitrogen-diluted methane flames has been considered, and the effect of fuel and coflow velocity on electronically excited CH concentration is discussed and compared with both normal gravity results and numerical simulations. Experimentally, the spectral characterization of the DSLR color camera used to acquire the flame images allowed the signal collected by the blue channel to be considered representative of the electronically excited CH emission centered around 431 nm. Due to the axisymmetric flame structure, an Abel deconvolution of the line-of-sight chemiluminescence was used to obtain the radial intensity profile and, thanks to an absolute light intensity calibration, a quantification of the electronically excited CH concentration was possible. Results show that, in microgravity, the maximum flame electronically excited CH concentration increases with the coflow velocity, but it is weakly dependent on the fuel velocity; normal gravity flames, if not lifted, tend to follow the same trend

Ozone concentration dependent autohaemotherapy effects on ...

African Journals Online (AJOL)

STORAGESEVER

2009-03-06

Mar 6, 2009 ... Under normal conditions, these systems are sufficient to protect cells. Unfortu- nately, increased oxidative stress can overcome these mechanisms. Therefore when the ROS overwhelms the antioxidant defence systems DNA damage can follow. H2O2 can easily diffuse through cell membranes into the.

Time dependence of silica optical properties during the implantation of fast hydrogen ions: Theory

CERN Document Server

Barannik, E; Zhurenko, V; Kononenko, S; Kononenko, O

2015-01-01

Formation, excitation and passivation of defects by absorbed hydrogen have been extensively reported in the literature. Here we present a basic luminescence-diffusion model to simulate creation and chemical annealing behavior of non-bridging oxygen hole centers in silica by their treatment under a long-time hydrogen implantation. The model is in a good agreement with experimental data and explains the uncommon nonmonotonic time dependence of the non-bridging oxygen hole centers luminescence during the hydrogen implantation. The proposed model establishes the quantitative relation between the intensity dependence of luminescence on its intrinsic diffusivity, hydrogen concentration, defect concentration and cross-section of their creation. Possibilities to estimate these parameters based on the experimental data for the efficiency of silica luminescence are also discussed.

Rhodium SPND's Error Reduction using Extended Kalman Filter combined with Time Dependent Neutron Diffusion Equation

International Nuclear Information System (INIS)

Lee, Jeong Hun; Park, Tong Kyu; Jeon, Seong Su

2014-01-01

The Rhodium SPND is accurate in steady-state conditions but responds slowly to changes in neutron flux. The slow response time of Rhodium SPND precludes its direct use for control and protection purposes specially when nuclear power plant is used for load following. To shorten the response time of Rhodium SPND, there were some acceleration methods but they could not reflect neutron flux distribution in reactor core. On the other hands, some methods for core power distribution monitoring could not consider the slow response time of Rhodium SPND and noise effect. In this paper, time dependent neutron diffusion equation is directly used to estimate reactor power distribution and extended Kalman filter method is used to correct neutron flux with Rhodium SPND's and to shorten the response time of them. Extended Kalman filter is effective tool to reduce measurement error of Rhodium SPND's and even simple FDM to solve time dependent neutron diffusion equation can be an effective measure. This method reduces random errors of detectors and can follow reactor power level without cross-section change. It means monitoring system may not calculate cross-section at every time steps and computing time will be shorten. To minimize delay of Rhodium SPND's conversion function h should be evaluated in next study. Neutron and Rh-103 reaction has several decay chains and half-lives over 40 seconds causing delay of detection. Time dependent neutron diffusion equation will be combined with decay chains. Power level and distribution change corresponding movement of control rod will be tested with more complicated reference code as well as xenon effect. With these efforts, final result is expected to be used as a powerful monitoring tool of nuclear reactor core

Rhodium SPND's Error Reduction using Extended Kalman Filter combined with Time Dependent Neutron Diffusion Equation

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeong Hun; Park, Tong Kyu; Jeon, Seong Su [FNC Technology Co., Ltd., Yongin (Korea, Republic of)

2014-05-15

The Rhodium SPND is accurate in steady-state conditions but responds slowly to changes in neutron flux. The slow response time of Rhodium SPND precludes its direct use for control and protection purposes specially when nuclear power plant is used for load following. To shorten the response time of Rhodium SPND, there were some acceleration methods but they could not reflect neutron flux distribution in reactor core. On the other hands, some methods for core power distribution monitoring could not consider the slow response time of Rhodium SPND and noise effect. In this paper, time dependent neutron diffusion equation is directly used to estimate reactor power distribution and extended Kalman filter method is used to correct neutron flux with Rhodium SPND's and to shorten the response time of them. Extended Kalman filter is effective tool to reduce measurement error of Rhodium SPND's and even simple FDM to solve time dependent neutron diffusion equation can be an effective measure. This method reduces random errors of detectors and can follow reactor power level without cross-section change. It means monitoring system may not calculate cross-section at every time steps and computing time will be shorten. To minimize delay of Rhodium SPND's conversion function h should be evaluated in next study. Neutron and Rh-103 reaction has several decay chains and half-lives over 40 seconds causing delay of detection. Time dependent neutron diffusion equation will be combined with decay chains. Power level and distribution change corresponding movement of control rod will be tested with more complicated reference code as well as xenon effect. With these efforts, final result is expected to be used as a powerful monitoring tool of nuclear reactor core.

γ-irradiation effect on gas diffusion in polymer films. Part I : Hydrogen diffusion through mylar film

International Nuclear Information System (INIS)

Rao, K.A.; Pushpa, K.K.; Iyer, R.M.

1980-01-01

γ-irradiation of polymers results in further crosslinking in the polymer or breakdown of the polymer or a combination of both these phenomena depending on the type of polymer, the dose as well as the environment in which irradiation is carried out. The gas diffusion through polymer films is expected to vary depending on these changes. With a view to A evaluate the feasibility of effecting selective diffusion of specific gases and also to correlate the change in diffusion rates with the polymer characteristics these studies have been initiated. Hydrogen diffusion through mylar film γ-irradiated under varying conditions upto a dose of approximately 50 Mrads is reported in this paper. The results indicate negligible change in hydrogen diffusion rates on γ-irradiation. However, γ-irradiation induced crosslinking of acrylic acid on Mylar reduced the hydrogen diffusion rate. The hydrogen diffusion studies may also be useful in finding the glass transition temperature of polymer films as is apparent from the gas diffusion curves. (author)

Advection-diffusion model for the simulation of air pollution distribution from a point source emission

Science.gov (United States)

Ulfah, S.; Awalludin, S. A.; Wahidin

2018-01-01

Advection-diffusion model is one of the mathematical models, which can be used to understand the distribution of air pollutant in the atmosphere. It uses the 2D advection-diffusion model with time-dependent to simulate air pollution distribution in order to find out whether the pollutants are more concentrated at ground level or near the source of emission under particular atmospheric conditions such as stable, unstable, and neutral conditions. Wind profile, eddy diffusivity, and temperature are considered in the model as parameters. The model is solved by using explicit finite difference method, which is then visualized by a computer program developed using Lazarus programming software. The results show that the atmospheric conditions alone influencing the level of concentration of pollutants is not conclusive as the parameters in the model have their own effect on each atmospheric condition.

The relation between temperature and concentration gradients in superfluid sup 3 He- sup 4 He solutions

CERN Document Server

Zadorozhko, A A; Rudavskij, E Y; Chagovets, V K; Sheshin, G A

2003-01-01

The temperature and concentration gradients nabla T and nabla x in a superfluid sup 3 He- sup 4 He mixture with an initial concentration 9,8 % of sup 3 He are measured in a temperature range 70-500 mK. The gradients are produced by a steady thermal flow with heating from below. It is shown that the value of nabla x/nabla T observed in the experiment is in good agreement with the theoretical model derived from the temperature and concentration dependences of osmotic pressure. The experimental data permitted us to obtain a thermal diffusion ratio of the solution responsible for the thermal diffusion coefficient.

An analytical method for determining the temperature dependent moisture diffusivities of pumpkin seeds during drying process

Energy Technology Data Exchange (ETDEWEB)

Can, Ahmet [Department of Mechanical Engineering, University of Trakya, 22030 Edirne (Turkey)

2007-02-15

This paper presents an analytical method, which determines the moisture diffusion coefficients for the natural and forced convection hot air drying of pumpkin seeds and their temperature dependence. In order to obtain scientific data, the pumpkin seed drying process was investigated under both natural and forced hot air convection regimes. This paper presents the experimental results in which the drying air was heated by solar energy. (author)

Hydroxyl and molecular H2O diffusivity in a haploandesitic melt

Science.gov (United States)

Ni, Huaiwei; Xu, Zhengjiu; Zhang, Youxue

2013-02-01

H2O diffusion in a haploandesitic melt (a high-silica and Fe-free andesitic melt, NBO/T = 0.173) has been investigated at 1 GPa in a piston-cylinder apparatus. We adopted a double diffusion couple technique, in which one couple was composed of a nominally anhydrous glass with 0.01 wt.% H2O and a hydrous glass with 5.7 wt.% H2O, and the other contained the same nominally anhydrous glass and a hydrous glass with 3.3 wt.% H2O. Both couples were annealed in a single experimental run and hence experienced exactly the same P-T history, which is crucial for constraining the dependence of H2O diffusivity on water content. H2O concentration profiles were measured by both Fourier transform infrared (FTIR) microspectroscopy and confocal Raman microspectroscopy. Nearly identical profiles were obtained from Raman and FTIR methods for profile length >1 mm (produced at 1619-1842 K). By contrast, for profile lengths <100 μm (produced at 668-768 K), FTIR profiles show marked convolution effects compared to Raman profiles. A comparison between the short FTIR and Raman profiles indicates that the real spatial resolution (FWHM) of FTIR analyses is about 28 μm for a 7 μm wide aperture on ˜200 μm thick glasses. While the short profiles are not reliable for quantitative modeling, the long diffusion profiles at superliquidus temperatures can be fit reasonably well by a diffusivity model previously developed for felsic melts, in which molecular H2O (H2Om) is the only diffusive species and its diffusivity (D) increases exponentially with the content of total water (H2Ot). However, there is noticeable misfit of the data at low H2Ot concentrations, suggesting that OH diffusivity (DOH) cannot be neglected in this andesitic melt at high temperatures and low water contents. We hence develop a new fitting procedure that simultaneously fits both diffusion profiles from a single experimental run and accounts for the roles of both OH and H2Om diffusion. With this procedure, DOH/D is constrained

Determination of the diffusion coefficient and solubility of radon in plastics.

Science.gov (United States)

Pressyanov, D; Georgiev, S; Dimitrova, I; Mitev, K; Boshkova, T

2011-05-01

This paper describes a method for determination of the diffusion coefficient and the solubility of radon in plastics. The method is based on the absorption and desorption of radon in plastics. Firstly, plastic specimens are exposed for controlled time to referent (222)Rn concentrations. After exposure, the activity of the specimens is followed by HPGe gamma spectrometry. Using the mathematical algorithm described in this report and the decrease of activity as a function of time, the diffusion coefficient can be determined. In addition, if the referent (222)Rn concentration during the exposure is known, the solubility of radon can be determined. The algorithm has been experimentally applied for different plastics. The results show that this approach allows the specified quantities to be determined with a rather high accuracy-depending on the quality of the counting equipment, it can be better than 10 %.

Rapid nickel diffusion in cold-worked type 316 austenitic steel at 360-500 C

Energy Technology Data Exchange (ETDEWEB)

Arioka, Koji [Institute of Nuclear Safety Systems, Inc., Mihama (Japan); Iijima, Yoshiaki [Tohoku Univ., Sendai (Japan). Dept. of Materials Science; Miyamoto, Tomoki [Kobe Material Testing Laboratory Co. Ltd., Harima (Japan)

2017-10-15

The diffusion coefficient of nickel in cold-worked Type 316 austenitic steel was determined by the diffusion couple method in the temperature range between 360 and 500 C. A diffusion couple was prepared by electroless nickel plating on the surface of a 20 % cold-worked Type 316 austenitic steel specimen. The growth in width of the interdiffusion zone was proportional to the square root of diffusion time until 14 055 h. The diffusion coefficient of nickel (D{sub Ni}) in cold-worked Type 316 austenitic steel was determined by extrapolating the concentration-dependent interdiffusion coefficient to 11 at.% of nickel. The value of D{sub Ni} at 360 C was about 5 000 times higher than the lattice diffusion coefficient of nickel in Type 316 austenitic steel. The determined activation energy 117 kJ mol{sup -1} was 46.6 % of the activation energy 251 kJ mol{sup -1} for the lattice diffusion of nickel in Type 316 austenitic steel.

ANALYSIS OF MAGNETOROTATIONAL INSTABILITY WITH THE EFFECT OF COSMIC-RAY DIFFUSION

Energy Technology Data Exchange (ETDEWEB)

Kuwabara, Takuhito [Computational Science and Engineering Division I, AdvanceSoft Corporation, 4-3, Kanda Surugadai, Chiyoda-ku, Tokyo 101-0062 (Japan); Ko, Chung-Ming, E-mail: kuwabrtk@gmail.com, E-mail: cmko@astro.ncu.edu.tw [Department of Physics, Institute of Astronomy and Center for Complex Systems, National Central University, Jhongli, Taiwan 320 (China)

2015-01-10

We present the results obtained from the linear stability analysis and 2.5 dimensional magnetohydrodynamic (MHD) simulations of magnetorotational instability (MRI), including the effects of cosmic rays (CRs). We took into account the CR diffusion along the magnetic field but neglected the cross-field-line diffusion. Two models are considered in this paper: the shearing box model and differentially rotating cylinder model. We studied how MRI is affected by the initial CR pressure (i.e., energy) distribution. In the shearing box model, the initial state is uniform distribution. Linear analysis shows that the growth rate of MRI does not depend on the value of the CR diffusion coefficient. In the differentially rotating cylinder model, the initial state is a constant angular momentum polytropic disk threaded by a weak uniform vertical magnetic field. Linear analysis shows that the growth rate of MRI becomes larger if the CR diffusion coefficient is larger. Both results are confirmed by MHD simulations. The MHD simulation results show that the outward movement of matter by the growth of MRI is not impeded by the CR pressure gradient, and the centrifugal force that acts on the concentrated matter becomes larger. Consequently, the growth rate of MRI is increased. On the other hand, if the initial CR pressure is uniform, then the growth rate of the MRI barely depends on the value of the CR diffusion coefficient.

Experimental measurements of the SP response to concentration and temperature gradients in sandstones with application to subsurface geophysical monitoring

Science.gov (United States)

Leinov, E.; Jackson, M. D.

2014-09-01

Exclusion-diffusion potentials arising from temperature gradients are widely neglected in self-potential (SP) surveys, despite the ubiquitous presence of temperature gradients in subsurface settings such as volcanoes and hot springs, geothermal fields, and oil reservoirs during production via water or steam injection. Likewise, with the exception of borehole SP logging, exclusion-diffusion potentials arising from concentration gradients are also neglected or, at best, it is assumed that the diffusion potential dominates. To better interpret these SP sources requires well-constrained measurements of the various coupling terms. We report measurements of thermoelectric and electrochemical exclusion-diffusion potentials across sandstones saturated with NaCl brine and find that electrode effects can dominate the measured voltage. After correcting for these, we find that Hittorf transport numbers are the same within experimental error regardless of whether ion transport occurs in response to temperature or concentration gradients over the range of NaCl concentration investigated that is typical of natural systems. Diffusion potentials dominate only if the pore throat radius is more than approximately 4000 times larger than the diffuse layer thickness. In fine-grained sandstones with small pore throat diameter, this condition is likely to be met only if the saturating brine is of relatively high salinity; thus, in many cases of interest to earth scientists, exclusion-diffusion potentials will comprise significant contributions from both ionic diffusion through, and ionic exclusion from, the pore space of the rock. However, in coarse-grained sandstones, or sandstones saturated with high-salinity brine, exclusion-diffusion potentials can be described using end-member models in which ionic exclusion is neglected. Exclusion-diffusion potentials in sandstones depend upon pore size and salinity in a complex way: they may be positive, negative, or zero depending upon sandstone

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

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

Arkhincheev, V.E.

2001-04-01

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

3D-CFD analysis of diffusion and emission of VOCs in a FLEC cavity.

Science.gov (United States)

Zhu, Q; Kato, S; Murakami, S; Ito, K

2007-06-01

This study is performed as a part of research that examines the emission and diffusion characteristics of volatile organic compounds (VOCs) from indoor building materials. In this paper, the flow field and the emission field of VOCs from the surface of building materials in a Field and Laboratory Emission Cell (FLEC) cavity are examined by 3D Computational Fluid Dynamics (CFD) analysis. The flow field within the FLEC cavity is laminar. With a total flow of 250 ml/min, the air velocity near the test material surface ranges from 0.1 to 4.5 cm/s. Three types of emission from building materials are studied here: (i) emission phenomena controlled by internal diffusion, (ii) emission phenomena controlled by external diffusion, and (iii) emission phenomena controlled by mixed diffusion (internal + external diffusion). In the case of internal diffusion material, with respect to the concentration distribution in the cavity, the local VOC emission rate becomes uniform and the FLEC works well. However, in the case of evaporation type (external diffusion) material, or mixed type materials (internal + external diffusion) when the resistance to transporting VOCs in the material is small, the FLEC is not suitable for emission testing because of the thin FLEC cavity. In this case, the mean emission rate is restricted to a small value, since the VOC concentration in the cavity rises to the same value as the surface concentration through molecular diffusion within the thin cavity, and the concentration gradient normal to the surface becomes small. The diffusion field and emission rate depend on the cavity concentration and on the Loading Factor. That is, when the testing material surface in the cavity is partially sealed to decrease the Loading Factor, the emission rate become higher with the decrease in the exposed area of the testing material. The flow field and diffusion field within the FLEC cavity are investigated by CFD method. After presenting a summary of the velocity

Initial-boundary value problems for multi-term time-fractional diffusion equations with x-dependent coefficients

OpenAIRE

Li, Zhiyuan; Huang, Xinchi; Yamamoto, Masahiro

2018-01-01

In this paper, we discuss an initial-boundary value problem (IBVP) for the multi-term time-fractional diffusion equation with x-dependent coefficients. By means of the Mittag-Leffler functions and the eigenfunction expansion, we reduce the IBVP to an equivalent integral equation to show the unique existence and the analyticity of the solution for the equation. Especially, in the case where all the coefficients of the time-fractional derivatives are non-negative, by the Laplace and inversion L...

Translational and rotational diffusion of flexible PEG and rigid dendrimer probes in sodium caseinate dispersions and acid gels.

Science.gov (United States)

Salami, Souad; Rondeau-Mouro, Corinne; Barhoum, Myriam; van Duynhoven, John; Mariette, François

2014-09-01

The dynamics of rigid dendrimer and flexible PEG probes in sodium caseinate dispersions and acid gels, including both translational diffusion and rotational diffusion, were studied by NMR. Above the onset of the close-packing limit (C ∼ 10 g/100 g H2 O), translational diffusion of the probe depended on its flexibility and on the fluctuations of the matrix chains. The PEG probe diffused more rapidly than the spherical dendrimer probe of corresponding hydrodynamic radius. The greater conformational flexibility of PEG facilitated its motion through the crowded casein matrix. Rotational diffusion was, however, substantially less hindered than the translational diffusion and depended on the local protein-probe friction which became high when the casein concentration increased. The coagulation of the matrix led to the formation of large voids, which resulted in an increase in the translational diffusion of the probes, whereas the rotational diffusion of the probes was retarded in the gel, which could be attributed to the immobilized environment surrounding the probe. Quantitative information from PFG-NMR and SEM micrographs have been combined for characterizing microstructural details in SC acid gels. © 2014 Wiley Periodicals, Inc.

Isolated effects of external bath osmolality, solute concentration, and electrical charge on solute transport across articular cartilage.

Science.gov (United States)

Pouran, Behdad; Arbabi, Vahid; Zadpoor, Amir A; Weinans, Harrie

2016-12-01

The metabolic function of cartilage primarily depends on transport of solutes through diffusion mechanism. In the current study, we use contrast enhanced micro-computed tomography to determine equilibrium concentration of solutes through different cartilage zones and solute flux in the cartilage, using osteochondral plugs from equine femoral condyles. Diffusion experiments were performed with two solutes of different charge and approximately equal molecular weight, namely iodixanol (neutral) and ioxaglate (charge=-1) in order to isolate the effects of solute's charge on diffusion. Furthermore, solute concentrations as well as bath osmolality were changed to isolate the effects of steric hindrance on diffusion. Bath concentration and bath osmolality only had minor effects on the diffusion of the neutral solute through cartilage at the surface, middle and deep zones, indicating that the diffusion of the neutral solute was mainly Fickian. The negatively charged solute diffused considerably slower through cartilage than the neutral solute, indicating a large non-Fickian contribution in the diffusion of charged molecules. The numerical models determined maximum solute flux in the superficial zone up to a factor of 2.5 lower for the negatively charged solutes (charge=-1) as compared to the neutral solutes confirming the importance of charge-matrix interaction in diffusion of molecules across cartilage. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Analytical solution to the diffusion, sorption and decay chain equation in a saturated porous medium between two reservoirs

International Nuclear Information System (INIS)

Guzman, Juan; Maximov, Serguei; Escarela-Perez, Rafael; López-García, Irvin; Moranchel, Mario

2015-01-01

The diffusion and distribution coefficients are important parameters in the design of barrier systems used in radioactive repositories. These coefficients can be determined using a two-reservoir configuration, where a saturated porous medium is allocated between two reservoirs filled by stagnant water. One of the reservoirs contains a high concentration of radioisotopes. The goal of this work is to obtain an analytical solution for the concentration of all radioisotopes in the decay chain of a two-reservoir configuration. The analytical solution must be obtained by taking into account the diffusion and sorption processes. Concepts such as overvalued concentration, diffusion and decay factors are employed to this end. It is analytically proven that a factor of the solution is identical for all chains (considering a time scaling factor), if certain parameters do not change. In addition, it is proven that the concentration sensitivity, due to the distribution coefficient variation, depends of the porous medium thickness, which is practically insensitive for small porous medium thicknesses. The analytical solution for the radioisotope concentration is compared with experimental and numerical results available in literature. - Highlights: • Saturated porous media allocated between two reservoirs. • Analytical solution of the isotope transport equation. • Transport considers diffusion, sorption and decay chain

A systematic determination of diffusion coefficients of trace elements in open and restricted diffusive layers used by the diffusive gradients in a thin film technique

DEFF Research Database (Denmark)

Shiva, Amir Houshang; Teasdale, Peter R.; Bennett, William W.

2015-01-01

A systematic comparison of the diffusion coefficients of cations (Al, Cd, Co, Cu, Mn, Ni, Pb, Zn) and oxyanions (Al, As, Mo, Sb, V, W) in open (ODL) and restricted (RDL) diffusive layers used by the DGT technique was undertaken. Diffusion coefficients were measured using both the diffusion cell...... concentrations required with the Dcell measurements. This is the first time that D values have been reported for several oxyanions using RDL. Except for Al at pH 8.30 with ODL, all DDGT measurements were retarded relative to diffusion coefficients in water (DW) for both diffusive hydrogels. Diffusion in RDL...

Cesium diffusion in Bure mud-rock: effect of cesium sorption and of the surface structure of the clay

International Nuclear Information System (INIS)

Melkior, T.; Motellier, S.; Yahiaoui, S.

2005-01-01

Full text of publication follows: This work is devoted to cesium diffusion through mud-rock samples from Bure (Meuse/Haute- Marne, France). This rock is mainly composed of interstratified illite/smectite, quartz and calcite. According to published data, positively charged solutes exhibit high diffusion coefficients in argillaceous media compared to neutral species. This effect was actually observed for cesium in Bure mud-rock samples: the effective diffusion coefficients (De) of tritiated water and cesium were found to be ca. 2 x 10 -11 m 2 s -1 and 2.5 x 10 -10 m 2 s -1 , respectively. Some authors assign this 'enhanced diffusion' of cations to the particular migration of ions within the electrical double layer, next to mineral surfaces (surface diffusion mechanism). To assess the role of sorbed ions in the diffusive transfer, cesium diffusion coefficients in Bure mud-rock were measured at different cesium concentrations. The distribution coefficient of cesium onto Bure mud-rock was measured in batch: it significantly varies over the concentration range investigated in the diffusion tests (between 2 x 10 -6 M and 2 x 10 -2 M). If sorbed ions contribute to the transfer, the effective diffusion coefficients deduced from these different tests should depend on cesium concentration. Nevertheless, the measured effective diffusion coefficients are found to be relatively unaffected by cesium concentration. It is thus concluded that ions at the sorbed state play a minor role in the diffusion. Following the assumption of an 'accelerated' transfer due to ions located in the diffuse double layer, the charge of the clay particles should affect the 'enhanced diffusion' of cesium. Therefore, a mud-rock sample was first crushed and contacted with a cationic surfactant at different solid/liquid ratios. The conditions were adjusted to obtain suspensions having positive, neutral and negative zeta potentials respectively. Three compact samples were then made with these different

Verification of atmospheric diffusion models with data of atmospheric diffusion experiments

International Nuclear Information System (INIS)

Hato, Shinji; Homma, Toshimitsu

2009-02-01

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

Glucose diffusion in colorectal mucosa—a comparative study between normal and cancer tissues

Science.gov (United States)

Carvalho, Sónia; Gueiral, Nuno; Nogueira, Elisabete; Henrique, Rui; Oliveira, Luís; Tuchin, Valery V.

2017-09-01

Colorectal carcinoma is a major health concern worldwide and its high incidence and mortality require accurate screening methods. Following endoscopic examination, polyps must be removed for histopathological characterization. Aiming to contribute to the improvement of current endoscopy methods of colorectal carcinoma screening or even for future development of laser treatment procedures, we studied the diffusion properties of glucose and water in colorectal healthy and pathological mucosa. These parameters characterize the tissue dehydration and the refractive index matching mechanisms of optical clearing (OC). We used ex vivo tissues to measure the collimated transmittance spectra and thickness during treatments with OC solutions containing glucose in different concentrations. These time dependencies allowed for estimating the diffusion time and diffusion coefficient values of glucose and water in both types of tissues. The measured diffusion times for glucose in healthy and pathological mucosa samples were 299.2±4.7 s and 320.6±10.6 s for 40% and 35% glucose concentrations, respectively. Such a difference indicates a slower glucose diffusion in cancer tissues, which originate from their ability to trap far more glucose than healthy tissues. We have also found a higher free water content in cancerous tissue that is estimated as 64.4% instead of 59.4% for healthy mucosa.

Concentration dependence of biotransformation in fish liver S9: Optimizing substrate concentrations to estimate hepatic clearance for bioaccumulation assessment.

Science.gov (United States)

Lo, Justin C; Allard, Gayatri N; Otton, S Victoria; Campbell, David A; Gobas, Frank A P C

2015-12-01

In vitro bioassays to estimate biotransformation rate constants of contaminants in fish are currently being investigated to improve bioaccumulation assessments of hydrophobic contaminants. The present study investigates the relationship between chemical substrate concentration and in vitro biotransformation rate of 4 environmental contaminants (9-methylanthracene, pyrene, chrysene, and benzo[a]pyrene) in rainbow trout (Oncorhynchus mykiss) liver S9 fractions and methods to determine maximum first-order biotransformation rate constants. Substrate depletion experiments using a series of initial substrate concentrations showed that in vitro biotransformation rates exhibit strong concentration dependence, consistent with a Michaelis-Menten kinetic model. The results indicate that depletion rate constants measured at initial substrate concentrations of 1 μM (a current convention) could underestimate the in vitro biotransformation potential and may cause bioconcentration factors to be overestimated if in vitro biotransformation rates are used to assess bioconcentration factors in fish. Depletion rate constants measured using thin-film sorbent dosing experiments were not statistically different from the maximum depletion rate constants derived using a series of solvent delivery-based depletion experiments for 3 of the 4 test chemicals. Multiple solvent delivery-based depletion experiments at a range of initial concentrations are recommended for determining the concentration dependence of in vitro biotransformation rates in fish liver fractions, whereas a single sorbent phase dosing experiment may be able to provide reasonable approximations of maximum depletion rates of very hydrophobic substances. © 2015 SETAC.

Growth and xanthan production of Xanthomonas campestris depending on the N-source concentration

Energy Technology Data Exchange (ETDEWEB)

Prell, A [Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Microbiology; Lasik, J [Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Microbiology; Konicek, J [Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Microbiology; Sobotka, M [Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Microbiology; Sys, J [Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Microbiology

1995-11-01

Growth of X. campestris and production of xanthan were studied in several batch fermentations with different starting concentrations of N-source. The dependencies of growth, productivity and yields on initial N-source concentration were observed. The maximum yields in the course of cultivations were identified. (orig.)

A theoretical evaluation of the oxygen concentration in a corrosion-fatigue crack

International Nuclear Information System (INIS)

Turnbull, A.

1981-01-01

The oxygen concentration in a corrosion-fatigue crack has been evaluated theoretically by assuming that oxygen was consumed by cathodic reduction on the walls of the crack and mass transport occurred by diffusion and advection (forced convection), with the latter resulting from the sinusoidal variation of the displacement of the crack walls. By using parameters relevant to a compact tension specimen, the time-dependent distribution of the oxygen concentration in the crack was calculated as a function of ΔK (the range of the stress intensity factor), R-value (minimum load/maximum load), frequency, crack length, and electrode potential. The influence of advection was to significantly enhance the mass transport of oxygen in the crack compared with ''diffusion-only'' even at low frequencies and low ΔK. Regions in the crack were identified in which advection dominance or diffusion dominance of the mass transport of oxygen occurred

Concentration-Dependent Patterns of Leucine Incorporation by Coastal Picoplankton

Science.gov (United States)

Alonso, Cecilia; Pernthaler, Jakob

2006-01-01

Coastal pelagic environments are believed to feature concentration gradients of dissolved organic carbon at a microscale, and they are characterized by pronounced seasonal differences in substrate availability for the heterotrophic picoplankton. Microbial taxa that coexist in such habitats might thus differ in their ability to incorporate substrates at various concentrations. We investigated the incorporation patterns of leucine in four microbial lineages from the coastal North Sea at concentrations between 0.1 and 100 nM before and during a spring phytoplankton bloom. Community bulk incorporation rates and the fraction of leucine-incorporating cells in the different populations were analyzed. Significantly fewer bacterial cells incorporated the amino acid before (13 to 35%) than during (23 to 47%) the bloom at all but the highest concentration. The incorporation rate per active cell in the prebloom situation was constant above 0.1 nM added leucine, whereas it increased steeply with substrate concentration during the bloom. At both time points, a high proportion of members of the Roseobacter clade incorporated leucine at all concentrations (55 to 80% and 86 to 94%, respectively). In contrast, the fractions of leucine-incorporating cells increased substantially with substrate availability in bacteria from the SAR86 clade (8 to 31%) and from DE cluster 2 of the Flavobacteria-Sphingobacteria (14 to 33%). The incorporation patterns of marine Euryarchaeota were between these extremes (30 to 56% and 48 to 70%, respectively). Our results suggest that the contribution of microbial taxa to the turnover of particular substrates may be concentration dependent. This may help us to understand the specific niches of coexisting populations that appear to compete for the same resources. PMID:16517664

Deterministic diffusion in flower-shaped billiards.

Science.gov (United States)

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.

The association between etanercept serum concentration and psoriasis severity is highly age-dependent.

Science.gov (United States)

Detrez, Iris; Van Steen, Kristel; Segaert, Siegfried; Gils, Ann

2017-06-01

The association between etanercept serum concentration and psoriasis disease severity is poorly investigated, and currently etanercept serum concentration monitoring that is aiming to optimize the psoriasis treatment lacks evidence. In this prospective study, we investigated the relation between etanercept exposure and disease severity via measuring etanercept concentrations at five consecutive time points in 56 psoriasis patients. Disease severity assessments included the Psoriasis Area and Severity Index (PASI), body surface area (BSA) and Physician Global Assessment (PGA), and etanercept and anti-etanercept antibody concentrations were determined every 3 months for a period of 1 year. The present study demonstrated that the association between etanercept concentration and psoriasis severity is age-dependent: when patients were stratified into three groups, patients in the youngest age group (-50 years) showed a lower PASI at a higher etanercept concentration (β = -0.26), whereas patients in the oldest age group (+59 years) showed the opposite trend (β =0.22). Similar age effects were observed in the relation of etanercept concentration with BSA ( P =0.02) and PGA ( P =0.02). The influence of age and length of time in therapy on the etanercept concentration-disease severity relation was unaffected by body mass index (BMI) or any other possible confounder. Incidence of anti-etanercept antibodies was low (2%). The age-dependent relation between etanercept serum concentrations is both unexpected and intriguing and needs further investigation. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

Nitrogen diffusion and nitrogen depth profiles in expanded austenite: experimental assessment, numerical simulation and role of stress

DEFF Research Database (Denmark)

Christiansen, Thomas; Dahl, Kristian Vinter; Somers, Marcel A. J.

2008-01-01

during gaseous nitriding, a qualitative discussion of the role of stress on local equilibrium conditions of growing expanded austenite and a discussion of the erroneous concentration dependent diffusivity of nitrogen in expanded austenite as obtained from applying the Boltzmann-Matano method...

Resist image quality control via acid diffusion constant and/or photodecomposable quencher concentration in the fabrication of 11 nm half-pitch line-and-space patterns using extreme-ultraviolet lithography

Science.gov (United States)

Kozawa, Takahiro; Santillan, Julius Joseph; Itani, Toshiro

2018-05-01

Extreme-ultraviolet (EUV) lithography will be applied to the high-volume production of semiconductor devices with 16 nm half-pitch resolution and is expected to be extended to that of devices with 11 nm half-pitch resolution. With the reduction in the feature sizes, the control of acid diffusion becomes a significant concern. In this study, the dependence of resist image quality on T PEB D acid and photodecomposable quencher concentration was investigated by the Monte Carlo method on the basis of the sensitization and reaction mechanisms of chemically amplified EUV resists. Here, T PEB and D acid are the postexposure baking (PEB) time and the acid diffusion constant, respectively. The resist image quality of 11 nm line-and-space patterns is discussed in terms of line edge roughness (LER) and stochastic defect generation. For the minimization of LER, it is necessary to design and control not only the photodecomposable quencher concentration but also T PEB D acid. In this case, D acid should be adjusted to be 0.3–1.5 nm2 s‑1 for a PEB time of 60 s with optimization of the balance among LER and stochastic pinching and bridging. Even if it is difficult to decrease D acid to the range of 0.3–1.5 nm2 s‑1, the image quality can still be controlled via only the photodecomposable quencher concentration, although LER and stochastic pinching and bridging are slightly increased. In this case, accurate control of the photodecomposable quencher concentration and the reduction in the initial standard deviation of the number of protected units are required.

Electrodiffusive model for astrocytic and neuronal ion concentration dynamics.

Directory of Open Access Journals (Sweden)

Geir Halnes

Full Text Available The cable equation is a proper framework for modeling electrical neural signalling that takes place at a timescale at which the ionic concentrations vary little. However, in neural tissue there are also key dynamic processes that occur at longer timescales. For example, endured periods of intense neural signaling may cause the local extracellular K(+-concentration to increase by several millimolars. The clearance of this excess K(+ depends partly on diffusion in the extracellular space, partly on local uptake by astrocytes, and partly on intracellular transport (spatial buffering within astrocytes. These processes, that take place at the time scale of seconds, demand a mathematical description able to account for the spatiotemporal variations in ion concentrations as well as the subsequent effects of these variations on the membrane potential. Here, we present a general electrodiffusive formalism for modeling of ion concentration dynamics in a one-dimensional geometry, including both the intra- and extracellular domains. Based on the Nernst-Planck equations, this formalism ensures that the membrane potential and ion concentrations are in consistency, it ensures global particle/charge conservation and it accounts for diffusion and concentration dependent variations in resistivity. We apply the formalism to a model of astrocytes exchanging ions with the extracellular space. The simulations show that K(+-removal from high-concentration regions is driven by a local depolarization of the astrocyte membrane, which concertedly (i increases the local astrocytic uptake of K(+, (ii suppresses extracellular transport of K(+, (iii increases axial transport of K(+ within astrocytes, and (iv facilitates astrocytic relase of K(+ in regions where the extracellular concentration is low. Together, these mechanisms seem to provide a robust regulatory scheme for shielding the extracellular space from excess K(+.

Numerical model for stack gas diffusion in terrain with buildings. Variations in air flow and gas concentration with additional building near stack

International Nuclear Information System (INIS)

Sada, Koichi; Michioka, Takenobu; Ichikawa, Yoichi; Komiyama, Sumito; Numata, Kunio

2009-01-01

A numerical simulation method for predicting atmospheric flow and stack gas diffusion using a calculation domain of several km around a stack under complex terrain conditions containing buildings has been developed. The turbulence closure technique using a modified k-ε-type model without a hydrostatic approximation was used for flow calculation, and some of the calculation grids near the ground were treated as buildings using a terrain-following coordinate system. Stack gas diffusion was predicted using the Lagrangian particle model, that is, the stack gas was represented by trajectories of released particles. The developed numerical model was applied to a virtual terrain and building conditions in this study prior to the applications of a numerical model for real terrain and building conditions. The height of the additional building (H a ), located about 200 m leeward from the stack, was varied (i.e., H a =0, 20, 30 and 50 m), and its effects on airflow and the concentration of stack gas at a released height of 75 m were calculated. Furthermore, effective stack height, which was used in the safety analysis of atmospheric diffusion for nuclear facilities in Japan, was evaluated from the calculated ground-level concentration of stack gas. The cavity region behind the additional building was calculated, and turbulence near the cavity was observed to decrease when the additional building was present. According to these flow variations with the additional building, tracer gas tended to diffuse to the ground surface rapidly with the additional building at the leeward position of the cavity, and the ground-level stack gas concentration along the plume axis also increased with the height of the additional building. However, the variations in effective stack height with the height of the additional building were relatively small and ranged within several m in this study. (author)

On the self-diffusion process in liquid metals and alloys by the radioactive tracer method

International Nuclear Information System (INIS)

Ganovici, L.

1978-01-01

A theoretical and experimental study of self-diffusion process in liquid metals and alloys is presented. There are only a few pure metals for which diffusion coefficients in a liquid state are known. The thesis aims at increasing the number of liquid metals for which diffusion coefficients are available, by determining these values for liquids: Cd, Tl, Sb and Te. The self-diffusion coefficients of Te in some tellurium based liquid alloys such as Tl 2 Te, PbTe and Bi 90 Te 10 were also determined. Self-diffusion coefficients have been measured using two radioactive tracer methods: a) the capillary-reservoir method; b) the semi-infinite capillary method. The self-diffusion coefficients were derived from the measured radioactive concentration profile, using the solutions of Fick's second law for appropriate initial and limit conditions. The temperature dependence study of self-diffusion coefficients in liquids Cd, Tl, Sb and Te, was used to check some theoretical models on the diffusion mechanism in metallic melts. The experimental diffusion data interpreted in terms of the Arrhenius type temperature dependence, was used to propose two simple empiric relations for determining self diffusion coefficients of group I liquid metals and for liquid semi-metals. It was established a marked decrease of self-diffusion coefficients of liquid Te close to the solidification temperature. The diffusivity of Te in liquid Tl 2 Te points to an important decrease close to the solidification temperature. A simplified model was proposed for the diffusion structural unit in this alloy and the hard sphere model for liquid metals was checked by comparing the theoretical and experimental self-diffusion coefficients. (author)

Helium diffusion in nickel at high temperatures

International Nuclear Information System (INIS)

Philipps, V.

1980-09-01

Helium has been implanted at certain temperatures between 800 and 1250 0 C into single and polycrystalline Ni-samples with implantation depths between 15 and 90 μm. Simultaneously the helium reemission from the sample is measured by a mass-spectrometer. It has been shown that the time dependence of the observed reemission rate is governed by volume diffusion of the helium. Measuring this time dependence as a function of temperature the helium diffusion constant has been determined. The He-diffusion is interpreted as a interstitial diffusion hindered by thermal vacancies. Depending on the implantation depth more or less of the implanted helium remains in the sample and forms large helium bubbles. (orig./GSCH)

Diffusion and Kirkendall effect in plutonium-zirconium system; Diffusion et effet Kirkendall dans le systeme plutonium-zirconium

Energy Technology Data Exchange (ETDEWEB)

Remy, C [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1968-10-01

Results are reported for the chemical diffusion in {epsilon}{beta} phase (bcc) over the range 10 - 70 atomic per cent plutonium. Concentration-penetration curves, obtained by using electron microprobe, have been analysed by Hall and Matano methods. Chemical diffusion coefficients, measured from 650 to 900 deg. C., increase with plutonium concentration and follow the Arrhenius law. Activation energies range from 18000 up to 44000 cal/mole for plutonium concentrations from 60 to 20 atomic per cent plutonium. Kirkendall effect has been observed by the shift of inert markers located originally at the Zr-PuZr interface. Analysis of intrinsic diffusion coefficients variation, flux of the two species and lattice velocity has been carried out by the incremental couples technique by using Darken and Heumann equations. It was found that D{sub Pu} > D{sub Zr}; the ratio D{sub Pu}/D{sub Zr} increases from 1 to 6 over the range 15 - 60 atomic per cent Pu. Activation energies for intrinsic diffusion coefficients vary between 25 and 50 Kcal/mole. (author) [French] Nous donnons des resultats sur la diffusion chimique en phase {epsilon}{beta} (cc) de 10 a 70 pour cent atomique en plutonium. Les courbes concentration-penetration, obtenues par microanalyse X ont ete depouillees par les methodes de HALL et de MATANO. Les coefficients de diffusion chimique mesures de 650 deg. C a 900 deg. C., augmentent avec la concentration en plutonium et suivent la loi d'ARRHENIUS. Les energies d'activation passent de 18000 a 44000 calories par mole pour des concentrations de 60 a 20 pour cent atomique en plutonium. L'existence d'un effet KIRKENDALL a ete mis en evidence par le deplacement de fils inertes places initialement dans le plan de soudure. L'analyse de la variation des coefficients de diffusion intrinseques, des flux des deux especes et de la vitesse du reseau a ete faite par la technique des couples incrementaux en utilisant les equations de DARKEN et de HEUMANN. On trouve D{sub Pu} > D

Study of the transport characteristics of uranyl chloride in a highly concentrated aqueous solution of sodium chloride

International Nuclear Information System (INIS)

Murso, H.

1986-01-01

The purpose of this work was the study of the transport processes of uranyl chloride at various temperatures, in order to be able to estimate the danger potential of the intrusion of water during storage in salt form. For this the concentration dependency of the approximated principal diffusion coefficients of uranyl chloride in a table salt solution, which with a c(NaCl) = 5.2 mol/l is almost at the saturation point, was studied at 25, 40 and 50degC. The measurements were successful in the ternarian system UO 2 Cl 2 -NaCl-H 2 O with absorption optics. An unexpected temperature dependency of the diffusion coefficients was found, which reached its minimum at 40degC with UO 2 Cl 2 concentrations of less than 2x10 -2 mol/l. For comparison the diffusion coefficients were measured in the binary system UO 2 Cl 2 -H 2 O and compared with theoretical calculations. The cause for the poor correlation found here is thought to be the hydrolysis products, whose formation is strongly influenced by the foreign-electrolyte concentration (NaCl). For clarification, viscosity measurements and molar mass determinations (ultracentrifuge) will be done. Some pH-dependent hydrolysis equilibriums are being postulated and the equilibrium constants of uranyl hydroxo complexes are being determined by sedimentation analysis. (orig./RB) [de

Spin diffusion in disordered organic semiconductors

Science.gov (United States)

Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz

2015-12-01

An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.

Atmospheric diffusion of large clouds

Energy Technology Data Exchange (ETDEWEB)

Crawford, T. V. [Univ. of California, Lawrence Radiation Lab., Livermore, California (United States)

1967-07-01

Clouds of pollutants travel within a coordinate system that is fixed to the earth's surface, and they diffuse and grow within a coordinate system fixed to the cloud's center. This paper discusses an approach to predicting the cloud's properties, within the latter coordinate system, on space scales of a few hundred meters to a few hundred kilometers and for time periods of a few days. A numerical cloud diffusion model is presented which starts with a cloud placed arbitrarily within the troposphere. Similarity theories of atmospheric turbulence are used to predict the horizontal diffusivity as a function of initial cloud size, turbulent atmospheric dissipation, and time. Vertical diffusivity is input as a function of time and height. Therefore, diurnal variations of turbulent diffusion in the boundary layer and effects of temperature inversions, etc. can be modeled. Nondiffusive cloud depletion mechanisms, such as dry deposition, washout, and radioactive decay, are also a part of this numerical model. An effluent cloud, produced by a reactor run at the Nuclear Rocket Development Station, Nevada, is discussed in this paper. Measurements on this cloud, for a period of two days, are compared to calculations with the above numerical cloud diffusion model. In general, there is agreement. within a factor of two, for airborne concentrations, cloud horizontal area, surface air concentrations, and dry deposition as airborne concentration decreased by seven orders of magnitude during the two-day period. (author)

Study of helium diffusion, implanted at a cyclotron, in face-centered cubic metals: Au, Ag and Al

International Nuclear Information System (INIS)

Sciani, V.

1985-01-01

Helium in metals is produced by nuclear reactions of energetic particles. In nuclear technology the interest on helium in metals is import, due to its production by (n, α) reaction. Because helium has extremely low solubility in metals, the precipitation in the form of filled bubbles at elevated temperatures occurs, which have detrimental effects on mechanical properties and may limit the lifetime of structural components. One typical example is the high temperature embrittlement. The nucleation and growth of the bubbles strongly depends on the mobility of the helium. This work presents the study of helium diffusion in Au, Ag and Al at temperatures above room temperature. The helium created by (n, α) reactions has been simulated by homogeneous alpha particles implantation in cyclotron, at room temperature, in specimens of thicknesses between 5 and 50 μm and helium concentration between 10 -3 to 10 ppm. After implantation, the specimens were dropped in a furnace in a UHV-chamber and the diffusion was measured by observing the He-release during linear and isothermal annealings. The occurence of free diffusion was comparing the dependence of release kinetics on helium concentration, sample thickness, time and heating rate to diffusion theory and is clearly separeted from agglomeration process. The diffusion constants of helium in Au, Ag and Al follow an Arrhenius behavior, with: Au:D o =10 -1.0 cm 2 /s ΔH=1.70eV Ag:D 0 =10 -1.2 cm 2 /s ΔH=1.51eV Al:D o =10 +0.5 cm 2 /s ΔH=1.40eV. The results are compared to self-diffusion and to the diffusion of other gases in these metals. Comparison with theoretical estimates favours the vacancy mechanism for helium diffusion in Au, Ag and Al. (author) [pt

Relating soil solution Zn concentration to diffusive gradients in thin films measurements in contaminated soils.

Science.gov (United States)

Degryse, Fien; Smolders, Erik; Oliver, Ian; Zhang, Hao

2003-09-01

The technique of diffusive gradients in thin films (DGT) has been suggested to sample an available fraction of metals in soil. The objectives of this study were to compare DGT measurements with commonly measured fractions of Zn in soil, viz, the soil solution concentration and the total Zn concentration. The DGT technique was used to measure fluxes and interfacial concentrations of Zn in three series of field-contaminated soils collected in transects toward galvanized electricity pylons and in 15 soils amended with ZnCl2 at six rates. The ratio of DGT-measured concentration to pore water concentration of Zn, R, varied between 0.02 and 1.52 (mean 0.29). This ratio decreased with decreasing distribution coefficient, Kd, of Zn in the soil, which is in agreement with the predictions of the DGT-induced fluxes in soils (DIFS) model. The R values predicted with the DIFS model were generally larger than the observed values in the ZnCl2-amended soils at the higher Zn rates. A modification of the DIFS model indicated that saturation of the resin gel was approached in these soils, despite the short deployment times used (2 h). The saturation of the resin with Zn did not occur in the control soils (no Zn salt added) or the field-contaminated soils. Pore water concentration of Zn in these soils was predicted from the DGT-measured concentration and the total Zn content. Predicted values and observations were generally in good agreement. The pore water concentration was more than 5 times underpredicted for the most acid soil (pH = 3) and for six other soils, for which the underprediction was attributed to the presence of colloidal Zn in the soil solution.

Lithium concentration dependent structure and mechanics of amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Sitinamaluwa, H. S.; Wang, M. C.; Will, G.; Senadeera, W.; Yan, C., E-mail: c2.yan@qut.edu.au [School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology (QUT), Brisbane QLD 4001 (Australia); Zhang, S. [Centre for Clean Environment and Energy, Environmental Futures Research Institute and Griffith School of Environment, Gold Coast Campus, Griffith University, QLD 4222 (Australia)

2016-06-28

A better understanding of lithium-silicon alloying mechanisms and associated mechanical behavior is essential for the design of Si-based electrodes for Li-ion batteries. Unfortunately, the relationship between the dynamic mechanical response and microstructure evolution during lithiation and delithiation has not been well understood. We use molecular dynamic simulations to investigate lithiated amorphous silicon with a focus to the evolution of its microstructure, phase composition, and stress generation. The results show that the formation of Li{sub x}Si alloy phase is via different mechanisms, depending on Li concentration. In these alloy phases, the increase in Li concentration results in reduction of modulus of elasticity and fracture strength but increase in ductility in tension. For a Li{sub x}Si system with uniform Li distribution, volume change induced stress is well below the fracture strength in tension.

Multicomponent Diffusion in Experimentally Cooled Melt Inclusions

Science.gov (United States)

Saper, L.; Stolper, E.

2017-12-01

Glassy olivine-hosted melt inclusions are compositionally zoned, characterized by a boundary layer depleted in olivine-compatible components that extends into the melt inclusion from its wall. The boundary layer forms in response to crystallization of olivine and relaxes with time due to diffusive exchange with the interior of the inclusion. At magmatic temperatures, the time scale for homogenization of inclusions is minutes to hours. Preservation of compositional gradients in natural inclusions results from rapid cooling upon eruption. A model of MgO concentration profiles that couples crystal growth and diffusive relaxation of a boundary layer can be used to solve for eruptive cooling rates [1]. Controlled cooling-rate experiments were conducted to test the accuracy of the model. Mauna Loa olivine containing >80 µm melt inclusions were equilibrated at 1225°C in a 1-atm furnace for 24 hours, followed by linear cooling at rates of 102 - 105 °C/hr. High-resolution concentration profiles of 40 inclusions were obtained using an electron microprobe. The model of [1] fits the experimental data with low residuals and the best-fit cooling rates are within 30% of experimental values. The initial temperature of 1225 °C is underestimated by 65°C. The model was modified using (i) MELTS to calculate the interface melt composition as a function of temperature, and (ii) a concentration-dependent MgO diffusion coefficient using the functional form of [2]. With this calibration the best-fit starting temperatures are within 5°C of the experimental values and the best-fit cooling rates are within 20% of experimental rates. The evolution of the CaO profile during cooling is evidence for strong diffusive coupling between melt components. Because CaO is incompatible in olivine, CaO concentrations are expected to be elevated in the boundary layer adjacent to the growing olivine. Although this is observed at short time scales, as the profile evolves the CaO concentration near the

Peculiarities of the radioactive particles transport phenomena in the facilitated diffusion processes

International Nuclear Information System (INIS)

Gavryushenko, D.A.; Sisojev, V.M.; Cherevko, K.V.; Vlasenko, T.S.

2017-01-01

The work is devoted to the up to date problem that is the description of the radioactive particle diffusion processes. One of the aims of the present study is to estimate the effects caused by the irradiation of the liquid systems on the ongoing transport processes. That can allow predicting the behavior of the liquid systems in the presence of the radioactive sources. The main objective of the present work is studying the radioactive particles diffusion phenomena with the possible facilitated diffusion processes being considered. The phenomena are studied based on the fundamental relations of the nonequilibrium statistical thermodynamics. The diffusive flows are evaluated with the special attention given to the accounting of the entropy effects due to the appearance of the new radioactive particles in the system. The developed approach is used to estimate the diffusive flow of the radioactive particles for the case of the plane-parallel pore with the semi-transparent walls. The choice of a model can be justified as it might be used to describe the production of the radioactive contaminated water when the radionuclide face the diffusion process after being washed from the radioactive wastes and the rests of the nuclear fuel. Within the suggested model it is shown that the diffusion coefficient depends on the structural properties of the liquid systems that might be changed under the influence of the irradiation. The obtained equations for calculating the diffusive flows show the definite stabilizing effect in respect to the concentration difference in between the boundaries of the plane-parallel pore. It leads to the decreased changes of the diffusive flow when the concentrations of the radioactive particles at the boundaries are changed in comparison with those observed for the constant diffusion coefficient. The observed behavior for the ideal solution model is explained by the entropy effects. The qualitative analysis of the possible influence of the changes in

Dependence of indoor radon concentration on the year of house construction

International Nuclear Information System (INIS)

Fujimoto, K.; Sanada, T.

1999-01-01

The dependence of indoor radon concentration on the year of house construction was studied using the results of two nationwide indoor radon surveys in Japan. The data of radon concentration in the surveys were classified into structure type as well as year of construction to obtain the current radon concentration for each structure type as a function of year of construction. The indoor radon concentration in wooden houses was found to be relatively constant with year of house construction until 1960, and then decreased, whereas the radon concentration in concrete houses increased sharply in houses constructed after 1970. The concentration in concrete houses built before 1975 was almost the same as that in contemporary wooden houses. However, the concentration in concrete houses built at present was about two times higher than that in wooden houses. The time trends found for wooden and concrete houses in the first nationwide indoor radon survey were confirmed by the second nationwide survey. In addition, these same time trends were mostly observed in the data classified into 7 districts in Japan. The increase of indoor radon concentration in concrete houses provides relatively high dose, and this increasing trend seems to continue, judging from the results of two nationwide surveys

Self-diffusion measurements in heterogeneous systems using NMR pulsed field gradient technique

International Nuclear Information System (INIS)

Heink, W.; Kaerger, J.; Walter, A.

1978-01-01

The experimental pecularities of the NMR pulsed field gradient technique are critical surveyed in its application to zeolite adsorbate adsorbent systems. After a presentation of the different transport parameters accessible by this technique, the consequences of the existence of inner field gradients being inherent to heterogeneous systems are analyzed. Experimental conditions and consequences of an application of pulsed field gradients of high intensity which are necessary for the measurement of small intracrystalline self-diffusion coefficients, are discussed. Gradient pulses of 0.15 Tcm -1 with pulse widths of 2 ms maximum and relative deviations of less than 0.01 per mille can be realized. Since for a number of adsorbate adsorbent systems a distinct dependence of the intracrystalline self-diffusion coeffcients on adsorbate concentration is observed, determination of zeolite pore fiiling factor is of considerable importance for the interpretation of the diffusivities obtained. It is demonstrated that also this information can be obtained by NMR technique in a straightforward way with a mean error of less than 5 to 10 %. Applying this new method and using an optimum experimental device as described, pore filling factor dependences of the self-diffusion coefficients of alkanes in NaX zeolites can be followed over more than two orders of magnitude. (author)

International Collaboration: the Virtuous Cycle of Low Carbon Innovation and Diffusion. An Analysis of Solar Photovoltaic, Concentrating Solar Power and Carbon Capture and Storage

International Nuclear Information System (INIS)

Dominique, Katheen

2010-01-01

International collaboration can be leveraged to accelerate the innovation and diffusion of low carbon technologies required to realize the shift to a low carbon trajectory. A collaborative approach to innovation has the potential to capture several benefits, including: pooling risks and achieving scale; knowledge sharing that accommodates competition and cooperation; the creation of a global market; facilitation of policy learning and exchange; and the alignment of technology, finance and policy. International Collaboration: the Virtuous Cycle of Low Carbon Innovation and Diffusion An Analysis of Solar Photovoltaic, Concentrating Solar Power and Carbon Capture and Storage A range of obstacles to the diffusion of low carbon technologies provides ample opportunity for international collaboration in global market creation and capacity building, expanding beyond conventional modes of technology transfer. Current collaborative efforts for carbon capture and storage, solar photovoltaic and concentrating solar power technologies are active in all stages of innovation and diffusion and involve a wide range of actors. Yet, current efforts are not sufficient to achieve the necessary level of emission mitigation at the pace required to avoid catastrophic levels of atmospheric destabilization. This analysis sets forth recommendation to scale up current endeavors and create new ones. The analysis begins by describing the fundamental characteristics of innovation and diffusion processes that create opportunities for international collaboration. It then illustrates a broad array of on-going collaborative activities, depicting how these efforts contribute to innovation and diffusion. Finally, highlighting the gap between the current level of collaborative activities and technology targets deemed critical for emission mitigation, the report sets forth several recommendations to build on current efforts and construct new endeavors

Effect of cavity inclination on a temperature and concentration controlled double diffusive convection at ice plate melting

Energy Technology Data Exchange (ETDEWEB)

Sugawara, M.; Ishikura, T. [Akita University, Department of Mechanical Engineering, Akita (Japan); Beer, H. [Technische Unversitat Darmstadt, Institut fur Technische Thermodynamik, Darmstadt (Germany)

2005-03-01

This paper is concerned with the double diffusive convection due to the melting of an ice plate into a calcium chloride aqueous solution inside a rectangular cavity. It is mainly considered the effect of the cavity inclination {theta} on the melting rate and the mean melting Nusselt- and Sherwood-numbers, experimentally as well as numerically. The ice plate melts spontaneously with decreasing temperature at the melting front even if initially there does not exist a temperature difference between the ice and the liquid. The concentration- and temperature-gradients near the melting front induce double diffusive convection in the liquid, which will affect the melting rate. Experiments reveal that the mean melting mass increases monotonically with increasing cavity inclination. The numerical analysis based on the laminar assumption predicts well the melting mass in the range of {theta}=0-90 , however, under-predicts the melting mass in the range of {theta}=90-180 as compared with the experimental results. (orig.)

Conformational Diffusion and Helix Formation Kinetics

International Nuclear Information System (INIS)

Hummer, Gerhard; Garcia, Angel E.; Garde, Shekhar

2000-01-01

The time, temperature, and sequence dependences of helix formation kinetics of fully atomistic peptide models in explicit solvent are described quantitatively by a diffusive search within the coil state with barrierless transitions into the helical state. Conformational diffusion leads to nonexponential kinetics and jump-width dependences in temperature jump experiments. (c) 2000 The American Physical Society

Conformational Diffusion and Helix Formation Kinetics

Energy Technology Data Exchange (ETDEWEB)

Hummer, Gerhard [Laboratory of Chemical Physics, Building 5, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520 (United States); Garcia, Angel E. [Theoretical Biology and Biophysics Group T-10, MS K710, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Garde, Shekhar [Department of Chemical Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180 (United States)

2000-09-18

The time, temperature, and sequence dependences of helix formation kinetics of fully atomistic peptide models in explicit solvent are described quantitatively by a diffusive search within the coil state with barrierless transitions into the helical state. Conformational diffusion leads to nonexponential kinetics and jump-width dependences in temperature jump experiments. (c) 2000 The American Physical Society.

Diffusion coefficient adaptive correction in Lagrangian puff model

International Nuclear Information System (INIS)

Tan Wenji; Wang Dezhong; Ma Yuanwei; Ji Zhilong

2014-01-01

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

Mutual diffusion of sodium hyaluranate in aqueous solutions

International Nuclear Information System (INIS)

Veríssimo, Luís M.P.; Valada, Teresa I.C.; Sobral, Abilio J.F.N.; Azevedo, Eduarda E.F.G.; Azevedo, Maria L.G.; Ribeiro, Ana C.F.

2014-01-01

Highlights: • Binary diffusion coefficients for the systems containing sodium hyaluronate. • Influence of the aggregation on diffusion of the sodium hyaluronate in the aqueous media. • Estimation of the thermodynamic and mobility factors from mutual diffusion. -- Abstract: The Taylor dispersion technique has been used for measuring mutual diffusion coefficients of sodium hyaluronate in aqueous solutions at T = 298.15 K, and concentrations ranging from (0.00 to 0.50) g · dm −3 . The results are interpreted on the basis of Nernst, and Onsager and Fuoss theoretical equations. From the diffusion coefficient at infinitesimal concentration, the limiting ionic conductivity and the tracer diffusion coefficient of hyaluronate ion were estimated. These studies have been complemented by molecular mechanics calculations

Understanding the apparent diffusivity of Sr-85 ion for MX-80 in different salinity condition at low dry density

International Nuclear Information System (INIS)

Ahmad Hasnulhadi Che Kamaruddin

2012-01-01

The apparent diffusivity of strontium-85 in the compacted MX-80 bentonite under different salinity conditions and dry densities was conducted were studied from the viewpoint of activation energy. Through in-diffusions experiments the effect of salinity on diffusion behavior of Sr-85 ions can also can be explained. As we know, Sr-90 is by product of the fission materials of nuclear wastes and should be manage properly. Sr-85 is radioactive isotope with the same chemical properties of Sr-90. Adsorption affects only non-steady-state diffusion while at the steady state (e.g., a constant concentration gradient between a constant source and a constant sink), there is no net uptake or release by adsorption, so adsorption has no effect on diffusion (Drever, James I., 1997). The changes in the basal spacing of bentonite as a function of salinity are needed to be observed by the X-ray diffraction method to understand the microstructure changes in diffusion pathways for Sr-85 in MX-80 bentonite. As we know, there could be three potential pathways for radionuclide diffusion in solution-saturated, compacted montmorillonite, i.e., pore water, external surfaces and the internal surface (interlayer spaces) of montmorillonite aggregates (Kozaki et al., 2008). So, it is important to understand the diffusion processes in term of apparent diffusivity of Sr-85 ions in different salinity concentration at low dry density of MX-80. Several parameters are needed in explaining the process such as dry density, activation energy, temperature dependence and concentration of the salinity solutions. (author)

Concentration-dependent oligomerization of cross-linked complexes between ferredoxin and ferredoxin–NADP+ reductase

International Nuclear Information System (INIS)

Kimata-Ariga, Yoko; Kubota-Kawai, Hisako; Lee, Young-Ho; Muraki, Norifumi; Ikegami, Takahisa; Kurisu, Genji; Hase, Toshiharu

2013-01-01

Highlights: •Cross-linked complexes of ferredoxin (Fd) and Fd–NADP + reductase form oligomers. •In the crystal structures, Fd- and FNR moieties swap across the molecules. •The complexes exhibit concentration-dependent oligomerization at sub-milimolar order. -- Abstract: Ferredoxin–NADP + reductase (FNR) forms a 1:1 complex with ferredoxin (Fd), and catalyzes the electron transfer between Fd and NADP + . In our previous study, we prepared a series of site-specifically cross-linked complexes of Fd and FNR, which showed diverse electron transfer properties. Here, we show that X-ray crystal structures of the two different Fd–FNR cross-linked complexes form oligomers by swapping Fd and FNR moieties across the molecules; one complex is a dimer from, and the other is a successive multimeric form. In order to verify whether these oligomeric structures are formed only in crystal, we investigated the possibility of the oligomerization of these complexes in solution. The mean values of the particle size of these cross-linked complexes were shown to increase with the rise of protein concentration at sub-milimolar order, whereas the size of dissociable wild-type Fd:FNR complex was unchanged as analyzed by dynamic light scattering measurement. The oligomerization products were detected by SDS–PAGE after chemical cross-linking of these complexes at the sub-milimolar concentrations. The extent and concentration-dependent profile of the oligomerizaion were differentiated between the two cross-linked complexes. These results show that these Fd–FNR cross-linked complexes exhibit concentration-dependent oligomerization, possibly through swapping of Fd and FNR moieties also in solution. These findings lead to the possibility that some native multi-domain proteins may present similar phenomenon in vivo

Annealing behavior of oxygen in-diffusion from SiO2 film to silicon substrate

International Nuclear Information System (INIS)

Abe, T.; Yamada-Kaneta, H.

2004-01-01

Diffusion behavior of oxygen at (near) the Si/SiO 2 interface was investigated. We first oxidized the floating-zone-grown silicon substrates, and then annealed the SiO 2 -covered substrates in an argon ambient. We examined two different conditions for oxidation: wet and dry oxidation. By the secondary-ion-mass spectrometry, we measured the depth profiles of the oxygen in-diffusion of these heat-treated silicon substrates: We found that the energy of dissolution (in-diffusion) of an oxygen atom that dominates the oxygen concentration at the Si/SiO 2 interface depends on the oxidation condition: 2.0 and 1.7 eV for wet and dry oxidation, respectively. We also found that the barrier heights for the oxygen diffusion in argon anneal were significantly different for different ambients adopted for the SiO 2 formation: 3.3 and 1.8 eV for wet and dry oxidation, respectively. These findings suggest that the microscopic behavior of the oxygen atoms at the Si/SiO 2 interface during the argon anneal depends on the ambient adopted for the SiO 2 formation

Measurement of fluorophore concentrations and fluorescence quantum yield in tissue-simulating phantoms using three diffusion models of steady-state spatially resolved fluorescence

Energy Technology Data Exchange (ETDEWEB)

Diamond, Kevin R; Farrell, Thomas J; Patterson, Michael S [Department of Medical Physics, Juravinski Cancer Centre and McMaster University, 699 Concession Street, Hamilton, Ontario L8V 5C2 (Canada)

2003-12-21

Steady-state diffusion theory models of fluorescence in tissue have been investigated for recovering fluorophore concentrations and fluorescence quantum yield. Spatially resolved fluorescence, excitation and emission reflectance were calculated by diffusion theory and Monte Carlo simulations, and measured using a multi-fibre probe on tissue-simulating phantoms containing either aluminium phthalocyanine tetrasulfonate (AlPcS{sub 4}), Photofrin or meso-tetra-(4-sulfonatophenyl)-porphine dihydrochloride (TPPS{sub 4}). The accuracy of the fluorophore concentration and fluorescence quantum yield recovered by three different models of spatially resolved fluorescence were compared. The models were based on: (a) weighted difference of the excitation and emission reflectance, (b) fluorescence due to a point excitation source or (c) fluorescence due to a pencil beam excitation source. When literature values for the fluorescence quantum yield were used for each of the fluorophores, the fluorophore absorption coefficient (and hence concentration) at the excitation wavelengthwas recovered with a root-mean-square accuracy of 11.4% using the point source model of fluorescence and 8.0% using the more complicated pencil beam excitation model. The accuracy was calculated over a broad range of optical properties and fluorophore concentrations. The weighted difference of reflectance model performed poorly, with a root-mean-square error in concentration of about 50%. Monte Carlo simulations suggest that there are some situations where the weighted difference of reflectance is as accurate as the other two models, although this was not confirmed experimentally. Estimates of the fluorescence quantum yield in multiple scattering media were also made by determining independently from the fitted absorption spectrum and applying the various diffusion theory models. The fluorescence quantum yields for AlPcS{sub 4} and TPPS{sub 4} were calculated to be 0.59 {+-} 0.03 and 0.121 {+-} 0

Measurement of fluorophore concentrations and fluorescence quantum yield in tissue-simulating phantoms using three diffusion models of steady-state spatially resolved fluorescence

International Nuclear Information System (INIS)

Diamond, Kevin R; Farrell, Thomas J; Patterson, Michael S

2003-01-01

Steady-state diffusion theory models of fluorescence in tissue have been investigated for recovering fluorophore concentrations and fluorescence quantum yield. Spatially resolved fluorescence, excitation and emission reflectance were calculated by diffusion theory and Monte Carlo simulations, and measured using a multi-fibre probe on tissue-simulating phantoms containing either aluminium phthalocyanine tetrasulfonate (AlPcS 4 ), Photofrin or meso-tetra-(4-sulfonatophenyl)-porphine dihydrochloride (TPPS 4 ). The accuracy of the fluorophore concentration and fluorescence quantum yield recovered by three different models of spatially resolved fluorescence were compared. The models were based on: (a) weighted difference of the excitation and emission reflectance, (b) fluorescence due to a point excitation source or (c) fluorescence due to a pencil beam excitation source. When literature values for the fluorescence quantum yield were used for each of the fluorophores, the fluorophore absorption coefficient (and hence concentration) at the excitation wavelengthwas recovered with a root-mean-square accuracy of 11.4% using the point source model of fluorescence and 8.0% using the more complicated pencil beam excitation model. The accuracy was calculated over a broad range of optical properties and fluorophore concentrations. The weighted difference of reflectance model performed poorly, with a root-mean-square error in concentration of about 50%. Monte Carlo simulations suggest that there are some situations where the weighted difference of reflectance is as accurate as the other two models, although this was not confirmed experimentally. Estimates of the fluorescence quantum yield in multiple scattering media were also made by determining independently from the fitted absorption spectrum and applying the various diffusion theory models. The fluorescence quantum yields for AlPcS 4 and TPPS 4 were calculated to be 0.59 ± 0.03 and 0.121 ± 0.001 respectively using the point

Solution of non-steady-state substrate concentration in the action of biosensor response at mixed enzyme kinetics

Science.gov (United States)

Senthamarai, R.; Jana Ranjani, R.

2018-04-01

In this paper, a mathematical model of an amperometric biosensor at mixed enzyme kinetics and diffusion limitation in the case of substrate inhibition has been developed. The model is based on time dependent reaction diffusion equation containing a non -linear term related to non -Michaelis - Menten kinetics of the enzymatic reaction. Solution for the concentration of the substrate has been derived for all values of parameters using the homotopy perturbation method. All the approximate analytic expressions of substrate concentration are compared with simulation results using Scilab/Matlab program. Finally, we have given a satisfactory agreement between them.

Behaviour of trace element concentration in human organs in dependence of age and environment

International Nuclear Information System (INIS)

Persigehl, M.; Schicha, H.; Kasperek, K.; Feinendegen, L.E.; Kernforschungsanlage Juelich G.m.b.H.

1977-01-01

To study the behaviour of trace elements in dependence of age and environment, samples of skin, lung, heart, aorta, kidney, liver and brain were assayed for concentrations of Fe, Zn, Rb, Co, Cr, Se, Sc, Sb, Cs, Al and partly Eu. All samples were dried at 100 deg C for two days. Instrumental neutron-activation analysis was used to determine the element concentrations. The neutron flux was 5 x 10 13 n cm -2 sec -1 . After decay of the short lived radioisotopes, the Al-concentration was measured following a second irradiation of 1 minute and directly comparing with a standard sample. Nearly all element concentrations changed with processing age, but they showed no clear correlation to either parameter assessed. The non-essential elements Se, Sb and Sc were increasingly concentrated in all organs except the skin. Comparing lung samples of patients from highly industrialized regions with those of lesser industrialization, the elements Sc, Al, Sb, Eu and Co were accumulated by a factor of 10 to 100. Thus the concentrations of trace elements in human organism also depend on the degree of industrialization. (T.G.)

Correlation factor, velocity autocorrelation function and frequency-dependent tracer diffusion coefficient

NARCIS (Netherlands)

Beijeren, H. van; Kehr, K.W.

1986-01-01

The correlation factor, defined as the ratio between the tracer diffusion coefficient in lattice gases and the diffusion coefficient for a corresponding uncorrelated random walk, is known to assume a very simple form under certain conditions. A simple derivation of this is given with the aid of

A comparison of the interactions between sequential Ga-P and Ga-As diffusions in silicon

International Nuclear Information System (INIS)

Jones, C.L.; Willoughby, A.F.W.

1976-01-01

Investigation of the interactions between sequential gallium-phosphorus and gallium-arsenic diffusions have been made using radiotracer profiling techniques. Gallium diffusions were first carried out using isotope 67 Ga diffused from a solid gallium oxide source, and subsequently phosphorus or arsenic were diffused into the same surface. The effect of phosphorus diffusion of high surface concentration was found to be a large enhancement (up to a factor of 100)in the diffusion coefficient of the tail of the gallium profile, while similar arsenic diffusion produced either a small enhancement or a retardation, depending on the conditions used. In addition, the diffusion of both phosphorus and arsenic produced a pronounced dip in the gallium profiles, which is discussed in terms of the built-in electric field produced during the emitter diffusions. The differences between the positions of the dips produced by phosphorus and arsenic are explained by the differences in their profile shape and hence in the electric field distribution. In the case of arsenic, the dip is located at the steeply falling front of the arsenic profile which resolves discrepancies in previous studies of boron-arsenic sequential diffusions. (author)

Solutions for a non-Markovian diffusion equation

International Nuclear Information System (INIS)

Lenzi, E.K.; Evangelista, L.R.; Lenzi, M.K.; Ribeiro, H.V.; Oliveira, E.C. de

2010-01-01

Solutions for a non-Markovian diffusion equation are investigated. For this equation, we consider a spatial and time dependent diffusion coefficient and the presence of an absorbent term. The solutions exhibit an anomalous behavior which may be related to the solutions of fractional diffusion equations and anomalous diffusion.

Experimental and theoretical investigations on diffusion process for rare earth ores

Energy Technology Data Exchange (ETDEWEB)

He, Ye; Li, Wenzhi Z. [Changchun Univ. (China)

2013-06-01

The diffusion reaction kinetics of weathered crust elution-deposited rare earth with mixed ammonium salts was studied. The influence of concentration of reagents and particle size of ore on diffusion rate was investigated. The results showed that the diffusion process and diffusion rate could be improved by increasing reagents concentration and decreasing diffusion flowing rate and particle size. The diffusion process could be explained with the shrinking core Model, which could be controlled by the diffusion rate of reacting reagents in porous solid layer.

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

International Nuclear Information System (INIS)

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

2012-01-01

dry density Kunipia-F (-0.129 C m -2 surface charge density). We used Booth equation and Malsh-Grahame equation as the dielectric permittivity dependent on electric field. In this condition field strength come to ∼ 10 9 V m -1 in the vicinity of the interface, then saturation effect by Booth equation is larger than Malsh-Grahame equation. Therefore Na + is strongly eliminated from the interface by Booth equation than Malsh-Grahame equation. While Figure 1(b) shows salinity dependence of the effective diffusivity (D e ) of Sr 2+ /Cs + /I - , calculated by the modified ISD model incorporated the dielectric saturation effects with Booth equation and original one (present ISD model). For Cs + as an example electrostatic potential term in Boltzmann factor of the modified model is larger than the original one, however hydration free energy term in Boltzmann factor cancel out this increment. Consequently D e by the modified model was not mostly changed from the original model. For other ionic species we can be considered as well. The ISD model was modified considering the excluded volume effect which is caused by quantum mechanical short range repulsive force of inter-particle. We used the restricted primitive model for the sake of simplicity. Figure 2 shows the concentration distributions of Na + as numerical solutions of the modified models incorporated the excluded volume effect and the original model, and salinity dependence of D e (b). We used here the Stokes radius (=1.84 x 10 -10 m) as ionic radius in a solution and crystal radius (= 1.16 x 10 -10 m) on the interface. It can be said that the excluded volume effect influence hardly D e as well as the dielectric saturation effects. As results of numerical analysis of the models the considered factors influence hardly D e of Sr 2+ /Cs + /I - . Therefore it was concluded that the disagreements with experimental data observed in present ISD model cannot be improved by considered factors in this study, because ionic

Complete suppression of boron transient-enhanced diffusion and oxidation-enhanced diffusion in silicon using localized substitutional carbon incorporation

Science.gov (United States)

Carroll, M. S.; Chang, C.-L.; Sturm, J. C.; Büyüklimanli, T.

1998-12-01

In this letter, we show the ability, through introduction of a thin Si1-x-yGexCy layer, to eliminate the enhancement of enhanced boron diffusion in silicon due to an oxidizing surface or ion implant damage. This reduction of diffusion is accomplished through a low-temperature-grown thin epitaxial Si1-x-yGexCy layer which completely filters out excess interstitials introduced by oxidation or ion implant damage. We also quantify the oxidation-enhanced diffusion (OED) and transient-enhanced diffusion (TED) dependence on substitutional carbon level, and further report both the observation of carbon TED and OED, and its dependence on carbon levels.

Diffusion of a passive scalar with random advection

International Nuclear Information System (INIS)

Molyneux, J.E.; Witten, A.J.

1980-01-01

To investigate the instantaneous release of a passive additive into a flow, we assume that the concentration of the additive is governed by the one-dimensional advective diffusion equation in which the advecting flow velocity is a given time-dependent stochastic process. We determine both the one- and two-space-time point probability distributions of the random concentration field. This problem, or more elaborate variations of it, is a rather idealized model for a variety of environmentally important flow situations, for example, the accidental or planned release of a contaminant into a river by a power station, and, as such, it has been investigated by a number of authors. Previous treatments, however, have concentrated on deriving information about the statistical moments of the concentration. Although such information is important, it may be inadequate for accessing the true effects of a flow additive on the environment. Our investigation demonstrates the possibility of obtaining a more complete statistical description

Concentration processes under tubesheet sludge piles in nuclear steam generators

International Nuclear Information System (INIS)

Gonzalez, F.; Spekkens, P.

1987-01-01

The process by which bulk water solutes are concentrated under tubesheet sludge piles in nuclear steam generators was investigated in the laboratory under simulated CANDU operating conditions. Concentration rates were found to depend on the tube heat flux and pile depth, although beyond a critical depth the concentration efficiency decreased. This efficiency could be expressed by a concentration coefficient, and was found to depend also on the sludge pile porosity. Solute concentration profiles in the sludge pile suggested that the concentration mechanism in a high-porosity/permeability pile is characterized by boiling mainly near or at the tube surface, while in low-porosity piles, the change of phase may also become important in the body of the sludge pile. In all cases, the full depth of the pile was active to some extent in the concentration process. As long as the heat transfer under the pile was continued, the solute remained under the pile and slowly migrated toward the bottom. When the heat transfer was stopped, the solute diffused back into the bulk solution at a rate slower than that of the concentration process

Self-diffusion in isotopically enriched silicon carbide and its correlation with dopant diffusion

International Nuclear Information System (INIS)

Rueschenschmidt, K.; Bracht, H.; Stolwijk, N.A.; Laube, M.; Pensl, G.; Brandes, G.R.

2004-01-01

Diffusion of 13 C and 30 Si in silicon carbide was performed with isotopically enriched 4H- 28 Si 12 C/ nat SiC heterostructures which were grown by chemical vapor phase epitaxy. After diffusion annealing at temperatures between 2000 deg. C and 2200 deg. C the 30 Si and 13 C profiles were measured by means of secondary ion mass spectrometry. We found that the Si and C diffusivity is of the same order of magnitude but several orders of magnitude lower than earlier data reported in the literature. Both Si and C tracer diffusion coefficients are in satisfactory agreement with the native point defect contribution to self-diffusion deduced from B diffusion in SiC. This reveals that the native defect which mediates B diffusion also controls self-diffusion. Assuming that B atoms within the extended tail region of B profiles are mainly dissolved on C sites, we propose that B diffuses via the kick-out mechanism involving C interstitials. Accordingly, C diffusion should proceed mainly via C interstitials. The mechanism of Si diffusion remains unsolved but Si may diffuse via both Si vacancies and interstitials, with the preference for either species depending on the doping level

Comparative study of silver nanoparticle permeation using Side-Bi-Side and Franz diffusion cells

Science.gov (United States)

Trbojevich, Raul A.; Fernandez, Avelina; Watanabe, Fumiya; Mustafa, Thikra; Bryant, Matthew S.

2016-03-01

Better understanding the mechanisms of nanoparticle permeation through membranes and packaging polymers has important implications for the evaluation of drug transdermal uptake, in food safety and the environmental implications of nanotechnology. In this study, permeation of 21 nm diameter silver nanoparticles (AgNPs) was tested using Side-Bi-Side and Franz static diffusion cells through hydrophilic 0.1 and 0.05 µm pore diameter 125 µm thick synthetic cellulose membranes, and 16 and 120 µm thick low-density polyethylene (LDPE) films. Experiments performed with LDPE films discarded permeation of AgNPs or Ag ions over the investigated time-frame in both diffusion systems. But controlled release of AgNPs has been quantified using semipermeable hydrophilic membranes. The permeation followed a quasi-linear time-dependent model during the experimental time-frame, which represents surface reaction-limited permeation. Diffusive flux, diffusion coefficients, and membrane permeability were determined as a function of pore size and diffusion model. Concentration gradient and pore size were key to understand mass transfer phenomena in the diffusion systems.

Comparative study of silver nanoparticle permeation using Side-Bi-Side and Franz diffusion cells

International Nuclear Information System (INIS)

Trbojevich, Raul A.; Fernandez, Avelina; Watanabe, Fumiya; Mustafa, Thikra; Bryant, Matthew S.

2016-01-01

Better understanding the mechanisms of nanoparticle permeation through membranes and packaging polymers has important implications for the evaluation of drug transdermal uptake, in food safety and the environmental implications of nanotechnology. In this study, permeation of 21 nm diameter silver nanoparticles (AgNPs) was tested using Side-Bi-Side and Franz static diffusion cells through hydrophilic 0.1 and 0.05 µm pore diameter 125 µm thick synthetic cellulose membranes, and 16 and 120 µm thick low-density polyethylene (LDPE) films. Experiments performed with LDPE films discarded permeation of AgNPs or Ag ions over the investigated time-frame in both diffusion systems. But controlled release of AgNPs has been quantified using semipermeable hydrophilic membranes. The permeation followed a quasi-linear time-dependent model during the experimental time-frame, which represents surface reaction-limited permeation. Diffusive flux, diffusion coefficients, and membrane permeability were determined as a function of pore size and diffusion model. Concentration gradient and pore size were key to understand mass transfer phenomena in the diffusion systems.Graphical Abstract

Comparative study of silver nanoparticle permeation using Side-Bi-Side and Franz diffusion cells

Energy Technology Data Exchange (ETDEWEB)

Trbojevich, Raul A. [U.S. Food and Drug Administration, Division of Biochemical Toxicology, National Center for Toxicological Research (United States); Fernandez, Avelina, E-mail: velifdez@ific.uv.es [Consejo Superior de Investigaciones Científicas-Universitat de València, Parc Científic, Instituto de Física Corpuscular (Spain); Watanabe, Fumiya; Mustafa, Thikra [University Arkansas at Little Rock, Center for Integrative Nanotechnology Sciences (United States); Bryant, Matthew S. [U.S. Food and Drug Administration, Division of Biochemical Toxicology, National Center for Toxicological Research (United States)

2016-03-15

Better understanding the mechanisms of nanoparticle permeation through membranes and packaging polymers has important implications for the evaluation of drug transdermal uptake, in food safety and the environmental implications of nanotechnology. In this study, permeation of 21 nm diameter silver nanoparticles (AgNPs) was tested using Side-Bi-Side and Franz static diffusion cells through hydrophilic 0.1 and 0.05 µm pore diameter 125 µm thick synthetic cellulose membranes, and 16 and 120 µm thick low-density polyethylene (LDPE) films. Experiments performed with LDPE films discarded permeation of AgNPs or Ag ions over the investigated time-frame in both diffusion systems. But controlled release of AgNPs has been quantified using semipermeable hydrophilic membranes. The permeation followed a quasi-linear time-dependent model during the experimental time-frame, which represents surface reaction-limited permeation. Diffusive flux, diffusion coefficients, and membrane permeability were determined as a function of pore size and diffusion model. Concentration gradient and pore size were key to understand mass transfer phenomena in the diffusion systems.Graphical Abstract.

Influence of Cu diffusion conditions on the switching of Cu-SiO2-based resistive memory devices

International Nuclear Information System (INIS)

Thermadam, S. Puthen; Bhagat, S.K.; Alford, T.L.; Sakaguchi, Y.; Kozicki, M.N.; Mitkova, M.

2010-01-01

This paper presents a study of Cu diffusion at various temperatures in thin SiO 2 films and the influence of diffusion conditions on the switching of Programmable Metallization Cell (PMC) devices formed from such Cu-doped films. Film composition and diffusion products were analyzed using secondary ion mass spectroscopy, Rutherford backscattering spectrometry, X-ray diffraction and Raman spectroscopy methods. We found a strong dependence of the diffused Cu concentration, which varied between 0.8 at.% and 10 -3 at.%, on the annealing temperature. X-ray diffraction and Raman studies revealed that Cu does not react with the SiO 2 network and remains in elemental form after diffusion for the annealing conditions used. PMC resistive memory cells were fabricated with such Cu-diffused SiO 2 films and device performance, including the stability of the switching voltage, is discussed in the context of the material characteristics.

Wastewater diffusive dilution and sedimentation of the fine contaminated particles for nonuniform flow in open channels

Directory of Open Access Journals (Sweden)

Lyapin Anton

2018-01-01

Full Text Available The influence of non-uniformity on mass transfer processes in open channels have been investigated under the action of urbanization factors. The study is related to the urgent problem of environmental degradation of water objects in urbanized areas. It is known that the water quality in the water objects depends on the manner in which the contaminants spread how they mix with the river water and diluted by it. The main results of the study consist of recommendations to incorporate non-uniformity factor to the calculation of diffusion dilution of wastewater and prediction of river processes. So the effect of the flow non-uniformity on the diffusion model of pollutants dilution and diffusion coefficient have been investigated. Formulas for the concentration profiles calculating and the average concentration of fine particulate matter in nonuniform gradually varied flow were presented. The deposition length of suspended contaminants were received, based on the hydraulic resistance laws of nonuniform gradually varied flow.

Erosion of bentonite by flow and colloid diffusion

International Nuclear Information System (INIS)

Moreno, Luis; Liu, Longcheng; Neretnieks, Ivars

2010-01-01

Document available in extended abstract form only. Bentonite intrusion into a fracture intersecting the canister deposition hole is modelled. The model describes the expansion of the bentonite within the fracture. It accounts for the repulsive electrostatic double-layer forces, the attractive van der Waals forces and friction forces between the particles and the water. The model also takes into account the diffusion of the colloid particles in the smectite sol. The buffer contains sodium in the pore water in much higher concentrations than the approaching seeping groundwater in the fracture has. Diffusion of sodium outward in the expanding gel is accounted for as this strongly influences the double layer force and the viscosity of the gel/sol. The gel/ sol is considered to be a fluid with a varying viscosity that is strongly dependent on the bentonite volume fraction in the gel and the sodium concentration in the water. Two different geometries were modelled; a rectangular and a cylindrical showing the flow in a fracture intersecting the deposition hole with the canister. The rectangular geometry was used to gain experience with the processes and mechanisms and how they interact since the cylindrical geometry was somewhat less stable numerically and more time consuming. In the rectangular geometry a fracture 1 metre long in the flow direction was modelled. In both geometries the fracture depth (extent from the deposition hole) was selected sufficiently large to ensure that the water velocity, near this border was nearly the same as the approaching water velocity and that the smectite concentration there was vanishingly small. It was found that the velocity of the fluid drops considerably where the bentonite volume fraction is larger than 1-2%. This is due to the strong increase in viscosity with increasing bentonite volume fraction. The loss of smectite as it is carried away by the slowly flowing fluid was found to be proportional to the square root of the seeping