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Sample records for ion diffusion coefficient

  1. Cytoplasmic hydrogen ion diffusion coefficient.

    PubMed Central

    al-Baldawi, N F; Abercrombie, R F

    1992-01-01

    The apparent cytoplasmic proton diffusion coefficient was measured using pH electrodes and samples of cytoplasm extracted from the giant neuron of a marine invertebrate. By suddenly changing the pH at one surface of the sample and recording the relaxation of pH within the sample, an apparent diffusion coefficient of 1.4 +/- 0.5 x 10(-6) cm2/s (N = 7) was measured in the acidic or neutral range of pH (6.0-7.2). This value is approximately 5x lower than the diffusion coefficient of the mobile pH buffers (approximately 8 x 10(-6) cm2/s) and approximately 68x lower than the diffusion coefficient of the hydronium ion (93 x 10(-6) cm2/s). A mobile pH buffer (approximately 15% of the buffering power) and an immobile buffer (approximately 85% of the buffering power) could quantitatively account for the results at acidic or neutral pH. At alkaline pH (8.2-8.6), the apparent proton diffusion coefficient increased to 4.1 +/- 0.8 x 10(-6) cm2/s (N = 7). This larger diffusion coefficient at alkaline pH could be explained quantitatively by the enhanced buffering power of the mobile amino acids. Under the conditions of these experiments, it is unlikely that hydroxide movement influences the apparent hydrogen ion diffusion coefficient. PMID:1617134

  2. Donnan dialysis with ion-exchange membranes. 3: Diffusion coefficients using ions of different valence

    SciTech Connect

    Miyoshi, Hirofumi

    1999-01-01

    Donnan dialysis with ion-exchange membranes was studied under various kinds of experimental conditions using ions of different valences. The diffusion coefficients (D{sub d}) of various kinds of ions in the ion-exchange membrane were obtained by curve fitting an equation derived from the mass balance to three kinds of Donnan dialytic experiments. It was found that the value of D{sub d}/D{sub s} using D{sub d} of monovalent ions in Donnan dialysis with a set of monovalent feed ions and bivalent driving ions was 1/175, where D{sub s} represents a diffusion coefficient in solution. D{sub s} was calculated from the Nernst-Einstein equation substituted by the ionic conductance of ions at infinite dilution in water. Using D{sub d} of bivalent ions in Donnan dialysis with the same set led to a D{sub d}/D{sub s} value of 1/438. Moreover, using D{sub d} in Donnan dialysis with the same set, the value of D{sub d}/D{sub e} was kept constant at 0.4 (D{sub e} expresses the diffusion coefficient in the membrane when the valences of the feed and driving ions are equal). On the other hand, both D{sub d}/D{sub s} and D{sub d}/D{sub e} using D{sub d} in Donnan dialysis with a set of bivalent feed ions and monovalent driving ions were not constant.

  3. Diffusion coefficients of energetic water group ions near Comet Giacobini-Zinner

    NASA Technical Reports Server (NTRS)

    Tan, L. C.; Mason, G. M.; Richardson, I. G.; Ipavich, F. M.

    1993-01-01

    Data from the ultralow-energy charge analyzer and energetic particle anisotropy spectrometer sensors, acquired when the ICE spacecraft flew past Comet Giacobini-Zinner on September 11, 1985, are combined, and a single, self-consistent analysis technique is applied to derive a single-particle spectrum from about 200 to 1600 km/s. This information, together with the deduced bulk flow speed of the ions, is used to calculate a parallel diffusion coefficient in the transition region downstream of the bow wave (2.3 +/- 0.5) x 10 exp 17 sq cm/s; the corresponding scattering mean free path is (6 +/- 1) x 10 exp 4 km. The parallel diffusion coefficient is found to depend on the collision frequency of water group ions with Alfven waves, which are assumed to be propagating parallel (antiparallel) to the magnetic field.

  4. The role of surface energy coefficients and nuclear surface diffuseness in the fusion of heavy-ions

    E-print Network

    Ishwar Dutt; Rajeev K. Puri

    2010-05-06

    We discuss the effect of surface energy coefficients as well as nuclear surface diffuseness in the proximity potential and ultimately in the fusion of heavy-ions. Here we employ different versions of surface energy coefficients. Our analysis reveals that these technical parameters can influence the fusion barriers by a significant amount. A best set of these parameters is also given that explains the experimental data nicely.

  5. Mobilities and longitudinal diffusion coefficients for K+ ions in nitrogen and argon

    NASA Astrophysics Data System (ADS)

    Takebe, M.; Satoh, Y.; Iinuma, K.; Seto, K.

    1980-10-01

    We have constructed a drift tube with a movable ion source and measured the mobilities and longitudinal diffusion coefficients for K+ ions at 303 °K in N2 and at 305 °K in Ar in the pressure range 0.3-5.0 Torr, over the E/N range 4-346 Td in N2 and 3-320 Td in Ar. The zero-field reduced mobilities for K+ ions in N2 and Ar were determined to be 2.50±0.03 and 2.63±0.03 cm2/V sec, respectively. Both values are in excellent agreement with the values reported by Elford and Milloy. When our data are compared with the values obtained by Thomson et al. in N2 and the values obtained by James et al. in Ar over the entire E/N range, we find that the mean deviations are about 1.7%, independent of gas species and E/N. Our zero-field reduced mobilities are about 1.2% lower in both cases than the values compiled by Ellis et al. It is concluded that the discrepancy is due to a systematic error and is not caused by clustering reactions. The mean values of NDL over the E/N range 4-7 Td in N2 and 5-10 Td in Ar were found to be 1.96×1018 and 2.09×1018 cm-1 sec-1, respectively. Both values are about 7% higher than the values calculated from our mobility data by the generalized Einstein relation and from the same parameters reported by Pai et al.

  6. Diffusion coefficients of actinide and lanthanide ions in molten Li[sub 2]BeF[sub 4

    SciTech Connect

    Moriyama, Hirotake; Moritani, Kimikazu; Ito, Yasuhiko . Dept. of Nuclear Engineering)

    1994-01-01

    In the conceptual design of molten salt breeder reactors (MSBR) developed at ORNL, molten fluoride mixtures are used as the fuel carrier and coolant. The fuel salt must be reprocessed continuously in order to meet a high breeding ratio. The main function of the reprocessing are to isolate [sup 233]Pa from the neutron flux and to remove the fission product lanthanides having high neutron absorption cross sections. The processing method involves the reductive extraction of these components from the fuel salt into liquid bismuth solutions in a two phase contacting system. Diffusion coefficients of actinide and lanthanide ions in molten Li[sub 2]BeF[sub 4] were measured in the temperature range from 813 to 1,023 K by a capillary method. The diffusion coefficients of both ions are unusually high, considering the high viscosity of the liquids. The dependence of the diffusion coefficients on temperature and ionic charge are discussed in terms of the theories of Stokes and Einstein.

  7. Influence of the counterion and co-ion diffusion coefficient values on some dielectric and electrokinetic properties of colloidal suspensions.

    PubMed

    López-García, J J; Grosse, C; Horno, J

    2005-06-23

    The dependences of the conductivity increment, the electrophoretic mobility, and the permittivity increment on the counterion diffusion coefficient value were numerically determined. The use of the network simulation method made it possible to solve the governing equations for the whole range of counterion and co-ion diffusion coefficients and for very low frequencies, despite the far-reaching field-induced charge density outside the double layer. Calculations performed for different zeta potential and electrolyte concentration values show that increasing the counterion mobility, while keeping constant the electrolyte solution conductivity and the kappa a values, strongly increases the conductivity increment, barely affects the electrophoretic mobility, and strongly decreases the permittivity increment. The numerical results are discussed and compared to analytical predictions derived from the Shilov-Dukhin model, which generally leads to a good agreement, at least for high kappa a and moderate zeta. PMID:16852466

  8. A least-squares error minimization approach in the determination of ferric ion diffusion coefficient of Fricke-infused dosimeter gels

    SciTech Connect

    Tseng, Y.J.; Huang, S.-C.; Chu, W.C.

    2005-04-01

    A least-squares error minimization approach was adopted to assess ferric ion diffusion coefficient of Fricke-agarose gels. Ferric ion diffusion process was modeled as a Gaussian-shaped degradation kernel operating on an initial concentration distribution. Diffusion coefficient was iteratively determined by minimizing the error function defined as the difference between the theoretically calculated and the experimentally measured dose distributions. A rapid MR image-based differential gel dosimetry technique that time resolves the evolution of the ferric ion diffusion process minimizes smearing of the dose distribution. Our results showed that for a Fricke-agarose gel contained 1 mM ammonium ferrous sulfate, 1% agarose, 1 mM sodium chloride, and 50 mM sulfuric acid, its ferric ion diffusion coefficient is (1.59{+-}0.28)x10{sup -2} cm{sup 2} h{sup -1} at room temperature. This value falls within the 1.00-2.00x10{sup -2} cm{sup 2} h{sup -1} range previously reported under varying gelling ingredients and concentrations. This method allows a quick, nondestructive evaluation of the ferric ion diffusion coefficient that can be used in conjunction with the in situ gel dosimetry experiment to provide a practical diffusion characterization of the dosimeter gel.

  9. Portable vapor diffusion coefficient meter

    DOEpatents

    Ho, Clifford K. (Albuquerque, NM)

    2007-06-12

    An apparatus for measuring the effective vapor diffusion coefficient of a test vapor diffusing through a sample of porous media contained within a test chamber. A chemical sensor measures the time-varying concentration of vapor that has diffused a known distance through the porous media. A data processor contained within the apparatus compares the measured sensor data with analytical predictions of the response curve based on the transient diffusion equation using Fick's Law, iterating on the choice of an effective vapor diffusion coefficient until the difference between the predicted and measured curves is minimized. Optionally, a purge fluid can forced through the porous media, permitting the apparatus to also measure a gas-phase permeability. The apparatus can be made lightweight, self-powered, and portable for use in the field.

  10. Search for selective ion diffusion through membranes

    NASA Technical Reports Server (NTRS)

    May, C. E.; Philipp, W. H.

    1983-01-01

    The diffusion rates of several ions through some membranes developed as battery separators were measured. The ions investigated were Li(+), Rb(+), Cl(-), and So4. The members were crosslinked polyvinyl alcohol, crosslinked polyacrylic acid, a copolymer of the two, crosslinked calcium polyacrylate, cellulose, and several microporous polyphenylene oxide based films. No true specificity for diffusion of any of these ions was found for any of the membranes. But the calcium polyacrylate membrane was found to exhibit ion exchange with the diffusing ions giving rise to the leaching of the calcium ion and low reproducibility. These findings contrast earlier work where the calcium polyacrylate membrane did show specificity to the diffusion of the copper ion. In general, Fick's law appeared to be obeyed. Except for the microporous membranes, the coefficients for ion diffusion through the membranes were comparable with their values in water. For the microporous membranes, the values found for the coefficients were much less, due to the tortuosity of the micropores.

  11. Diffusion coefficients of several aqueous alkanolamine solutions

    SciTech Connect

    Snijder, E.D.; Riele, M.J.M. te; Versteeg, G.F.; Swaaij, W.P.M. van . Dept. of Chemical Engineering)

    1993-07-01

    In absorption processes of acid gases (H[sub 2]S, CO[sub 2], COS) in alkanolamine solutions, diffusion coefficients are used for the calculation of the mass transfer rate. The Taylor dispersion technique was applied for the determination of diffusion coefficients of various systems. Experiments with the system KCl in water showed that the experimental setup provides accurate data. For the alkanolamines monoethanolamine (MEA), diethanolamine (DEA), methyldiethanolamine (MDEA), and di-2-propanolamine (DIPA), correlations for the diffusion coefficient as a function of temperature at different concentrations are given. A single relation for every amine has been derived which correlates the diffusion coefficients as a function of temperature and concentration. The temperature was varied between 298 and 348 K, and the concentration between 0 and 4000-5000 mol/m[sup 3]. Furthermore, a modified Stokes-Einstein relation is presented for the prediction of the diffusion coefficients in the alkanolamines in relation to the viscosity of the solvent and the diffusion coefficient at infinite dilution. The diffusion coefficients at low concentrations are compared with some available relations for the estimation of diffusion coefficients at infinite dilution, and it appears that the agreement is fairly good.

  12. Molecular Diffusion Coefficients: Experimental Determination and Demonstration.

    ERIC Educational Resources Information Center

    Fate, Gwendolyn; Lynn, David G.

    1990-01-01

    Presented are laboratory methods which allow the demonstration and determination of the diffusion coefficients of compounds ranging in size from water to small proteins. Included are the procedures involving the use of a spectrometer, UV cell, triterated agar, and oxygen diffusion. Results including quantification are described. (CW)

  13. Diffusion and transport coefficients in synthetic opals

    SciTech Connect

    Sofo, J. O.; Mahan, G. D.; Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200

    2000-07-15

    Opals are structures composed of close-packed spheres in the size range of nano to micrometers. They are sintered to create small necks at the points of contact. We have solved the diffusion problem in such structures. The relation between the diffusion coefficient and the thermal and electrical conductivity is used to estimate the transport coefficients of opal structures as a function of the neck size and the mean free path of the carriers. The theory presented is also applicable to the diffusion problem in other periodic structures. (c) 2000 The American Physical Society.

  14. Diffusion coefficients in leaflets of bilayer membranes.

    PubMed

    Seki, Kazuhiko; Mogre, Saurabh; Komura, Shigeyuki

    2014-02-01

    We study diffusion coefficients of liquid domains by explicitly taking into account the two-layered structure called leaflets of the bilayer membrane. In general, the velocity fields associated with each leaflet are different and the layers sliding past each other cause frictional coupling. We obtain analytical results of diffusion coefficients for a circular liquid domain in a leaflet, and quantitatively study their dependence on the interleaflet friction. We also show that the diffusion coefficients diverge in the absence of coupling between the bilayer and solvents, even when the interleaflet friction is taken into account. In order to corroborate our theory, the effect of the interleaflet friction on the correlated diffusion is examined. PMID:25353515

  15. Correlation and prediction of gaseous diffusion coefficients.

    NASA Technical Reports Server (NTRS)

    Marrero, T. R.; Mason, E. A.

    1973-01-01

    A new correlation method for binary gaseous diffusion coefficients from very low temperatures to 10,000 K is proposed based on an extended principle of corresponding states, and having greater range and accuracy than previous correlations. There are two correlation parameters that are related to other physical quantities and that are predictable in the absence of diffusion measurements. Quantum effects and composition dependence are included, but high-pressure effects are not. The results are directly applicable to multicomponent mixtures.

  16. Intrinsic Diffusion Coefficient of Interstitial Copper in Silicon

    SciTech Connect

    Istratov, A.A.; Flink, C.; Hieslmair, H.; Weber, E.R.; Heiser, T.

    1998-08-01

    Transient ion drift experiments designed to obtain reliable values for the intrinsic copper diffusivity in silicon are reported. From these measurements, the diffusion barrier of Cu in Si is determined to be 0.18{plus_minus}0.01 eV . It is shown that the commonly used expression of Hall and Racette [J.thinspthinspAppl.thinspthinspPhys.thinspthinsp{bold 35}, 379 (1964)] actually gives an effective diffusion coefficient for heavily boron-doped silicon and can neither be used for other doping levels nor extrapolated to lower temperatures. A model is developed which predicts the effective diffusion coefficient as a function of temperature, doping level, and the type of dopant. {copyright} {ital 1998} {ital The American Physical Society}

  17. Diffusion in the system K2O-SrO-SiO2. II - Cation self-diffusion coefficients.

    NASA Technical Reports Server (NTRS)

    Varshneya, A. K.; Cooper, A. R.

    1972-01-01

    The self-diffusion coefficients were measured by introducing a slab of glass previously irradiated in a reactor between two slabs of unirradiated glass. By heating the specimens, etching them sequentially and determining the radioactivity, self-diffusion coefficients for K and Sr were measured. It is pointed out that the results obtained in the investigations appear to support the proposal that the network of the base glass predominantly controls the activation energy for the diffusion of ions.

  18. Universal Properties of the Langevin Diffusion Coefficients

    E-print Network

    Dimitrios Giataganas; Hesam Soltanpanahi

    2014-03-21

    We show that in generic isotropic holographic theories the longitudinal Langevin diffusion coefficient along the string motion is larger compared to that of the transverse direction. We argue that this is a universal relation and we derive the generic conditions in order to be satisfied. A way to violate the relation is to consider anisotropic gauge/gravity dualities. We give an explicit example of this violation where the noise along the transverse direction is larger than the noise occurring along the quark motion. Moreover, we derive the effective world-sheet temperature for any generic theory and then the conditions for negative excess noise. We argue that isotropic theories can not have negative excess noise and we additionally remark that these conditions are difficult to get satisfied, indicating positivity of the excess noise, even in a large class of anisotropic holographic theories.

  19. Diffusion coefficient of three-dimensional Yukawa liquids

    SciTech Connect

    Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U.

    2013-11-15

    The purpose of this work is an investigation of the diffusion coefficient of the dust component in complex plasma. The computer simulation of the Yukawa liquids was made on the basis of the Langevin equation, which takes into account the influence of buffer plasma on the dust particles dynamics. The Green–Kubo relation was used to calculate the diffusion coefficient. Calculations of the diffusion coefficient for a wide range of the system parameters were performed. Using obtained numerical data, we constructed the interpolation formula for the diffusion coefficient. We also show that the interpolation formula correctly describes experimental data obtained under microgravity conditions.

  20. Surface diffusion coefficients for room acoustics: free-field measures.

    PubMed

    Hargreaves, T J; Cox, T J; Lam, Y W; D'Antonio, P

    2000-10-01

    A surface diffusion coefficient is needed in room acoustics to enable the quality of diffusing surfaces to be evaluated. It may also facilitate more accurate geometric room acoustic models. This paper concentrates on diffusion coefficients derived from free-field polar responses. An extensive set of two- and three-dimensional measurements and predictions was used to test the worth of different diffusion coefficient definitions. The merits and problems associated with these types of coefficients are discussed, and past parameters reviewed. Two new coefficients are described. The new measure based on the autocorrelation function is forwarded as the best free-field coefficient. The strengths and weaknesses of the coefficient are defined. PMID:11051498

  1. Analytic expressions for ULF wave radiation belt radial diffusion coefficients

    PubMed Central

    Ozeke, Louis G; Mann, Ian R; Murphy, Kyle R; Jonathan Rae, I; Milling, David K

    2014-01-01

    We present analytic expressions for ULF wave-derived radiation belt radial diffusion coefficients, as a function of L and Kp, which can easily be incorporated into global radiation belt transport models. The diffusion coefficients are derived from statistical representations of ULF wave power, electric field power mapped from ground magnetometer data, and compressional magnetic field power from in situ measurements. We show that the overall electric and magnetic diffusion coefficients are to a good approximation both independent of energy. We present example 1-D radial diffusion results from simulations driven by CRRES-observed time-dependent energy spectra at the outer boundary, under the action of radial diffusion driven by the new ULF wave radial diffusion coefficients and with empirical chorus wave loss terms (as a function of energy, Kp and L). There is excellent agreement between the differential flux produced by the 1-D, Kp-driven, radial diffusion model and CRRES observations of differential electron flux at 0.976 MeV—even though the model does not include the effects of local internal acceleration sources. Our results highlight not only the importance of correct specification of radial diffusion coefficients for developing accurate models but also show significant promise for belt specification based on relatively simple models driven by solar wind parameters such as solar wind speed or geomagnetic indices such as Kp. Key Points Analytic expressions for the radial diffusion coefficients are presented The coefficients do not dependent on energy or wave m value The electric field diffusion coefficient dominates over the magnetic PMID:26167440

  2. Improved diffusion coefficients generated from Monte Carlo codes

    SciTech Connect

    Herman, B. R.; Forget, B.; Smith, K.; Aviles, B. N.

    2013-07-01

    Monte Carlo codes are becoming more widely used for reactor analysis. Some of these applications involve the generation of diffusion theory parameters including macroscopic cross sections and diffusion coefficients. Two approximations used to generate diffusion coefficients are assessed using the Monte Carlo code MC21. The first is the method of homogenization; whether to weight either fine-group transport cross sections or fine-group diffusion coefficients when collapsing to few-group diffusion coefficients. The second is a fundamental approximation made to the energy-dependent P1 equations to derive the energy-dependent diffusion equations. Standard Monte Carlo codes usually generate a flux-weighted transport cross section with no correction to the diffusion approximation. Results indicate that this causes noticeable tilting in reconstructed pin powers in simple test lattices with L2 norm error of 3.6%. This error is reduced significantly to 0.27% when weighting fine-group diffusion coefficients by the flux and applying a correction to the diffusion approximation. Noticeable tilting in reconstructed fluxes and pin powers was reduced when applying these corrections. (authors)

  3. Local carbon diffusion coefficient measurement in the S-1 spheromak

    SciTech Connect

    Mayo, R.M.; Levinton, F.M.; Meyerhofer, D.D.; Chu, T.K.; Paul, S.F.; Yamada, M.

    1988-10-01

    The local carbon diffusion coefficient was measured in the S - 1 spheromak by detecting the radial spread of injected carbon impurity. The radial impurity density profile is determined by the balance of ionization and diffusion. Using measured local electron temperature T/sub e/ and density n/sub e/, the ionization rate is determined from which the particle diffusion coefficient is inferred. The results found in this work are consistent with Bohm diffusion. The absolute magnitude of D/sub /perpendicular// was determined to be (4/approximately/6) /times/ D/sub Bohm/. 25 refs., 13 figs., 2 tabs.

  4. Study of diffusion coefficients of glasses under zero-G

    NASA Technical Reports Server (NTRS)

    Kinser, D. L.

    1975-01-01

    Diffusion studies of the glass forming ion are examined in zero-g environments and diffusion data obtained from these experiments are unique because of earth based experimental problems. The choice of system for diffusion studies is discussed along with the lab processing. The space processing is described consisting of a heating cycle designed to maximize time exposed to the diffusion temperature without exposing the low viscosity melt to gravitational forces.

  5. Relationships between Atomic Diffusion Mechanisms and Ensemble Transport Coefficients in Crystalline Polymorphs

    NASA Astrophysics Data System (ADS)

    Morgan, Benjamin J.; Madden, Paul A.

    2014-04-01

    Ionic transport in conventional ionic solids is generally considered to proceed via independent diffusion events or "hops." This assumption leads to well-known Arrhenius expressions for transport coefficients, and is equivalent to assuming diffusion is a Poisson process. Using molecular dynamics simulations of the low-temperature B1, B3, and B4 AgI polymorphs, we have compared rates of ion hopping with corresponding Poisson distributions to test the assumption of independent hopping in these common structure types. In all cases diffusion is a non-Poisson process, and hopping is strongly correlated in time. In B1 the diffusion coefficient can be approximated by an Arrhenius expression, though the physical significance of the parameters differs from that commonly assumed. In low temperature B3 and B4, diffusion is characterized by concerted motion of multiple ions in short closed loops. Diffusion coefficients cannot be expressed in a simple Arrhenius form dependent on single-ion free energies, and intrinsic diffusion must be considered a many-body process.

  6. Determination of diffusion coefficient for unsaturated soils 

    E-print Network

    Sood, Eeshani

    2005-08-29

    ...... 53 Table 5. Summary of Atterberg Limit and Hydrometer Test for Fort Worthf District ..................................................................................................... 55 Table 6. Summary of Diffusion and Filter Paper Test... for Atlanta District ............ 58 Table 7. Summary of Atterberg Limit and Hydrometer Test for Atlanta District ..................................................................................................... 59 Table 8. Summary...

  7. HOW DUAL-SCALE DIFFUSIVE PROPERTY HETEROGENEITY AFFECTS EFFECTIVE MATRIX DIFFUSION COEFFICIENT IN FRACTURED ROCK

    SciTech Connect

    Y. Zhang; H. Liu; Q. Zhou; S. Finsterle

    2005-09-07

    Matrix diffusion can significantly retard solute transport in fractured formations. Understanding matrix diffusion is crucial for predicting the arrival time, peak concentration, and tail of a contaminant breakthrough curve. Previous studies show that the effective matrix diffusion coefficient may be scale dependent. This study examines how heterogeneities of diffusion properties affect the effective matrix diffusion coefficient. Two types of heterogeneity in a channelized flow system are considered in the study: (1) interchannel heterogeneity, and (2) intrachannel heterogeneity. The objectives of this study are (1) to examine if it is appropriate to use a single, effective matrix diffusion coefficient in a standard solution model to predict breakthrough curves (BTC) in a fractured formation, (2) if so, how this effective value is related to the degree of the matrix diffusion coefficient variability; and (3) to examine if the observed scale dependence of the effective matrix-diffusion coefficient is caused by heterogeneity in diffusion properties. The results show that the use of a single effective matrix diffusion coefficient is appropriate only if the inter- and intrachannel variability of diffusion properties is small. The scale dependence of the effective matrix diffusion coefficient is not caused by either type of the studied heterogeneity.

  8. Calculation of self-diffusion coefficients in iron

    SciTech Connect

    Zhang, Baohua

    2014-01-15

    On the basis of available P-V-T equation of state of iron, the temperature and pressure dependence of self-diffusion coefficients in iron polymorphs (?, ?, ? and ? phases) have been successfully reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects point defects parameters with bulk properties. The calculated diffusion parameters, such as self-diffusion coefficient, activation energy and activation volume over a broad temperature range (500-2500 K) and pressure range (0-100 GPa), compare favorably well with experimental or theoretical ones when the uncertainties are considered.

  9. Solubility and diffusion coefficients of gaseous formaldehyde in polymers.

    PubMed

    Hennebert, P

    1988-03-01

    The solubility and diffusion (desorption) coefficients of gaseous formaldehyde in 14 materials have been measured at different temperatures. Cellulose, paper, polyamide (Nylon 6), polyester and natural rubber (latex) show very high values of formaldehyde solubility and very low diffusion coefficients, with a weak or inversed influence of the temperature, leading to the conclusion that a chemical reaction occurs with the formaldehyde. The behaviour of the other polymers follows the classical laws of solubility and diffusion of gases except for silicone rubber which shows two-phase desorption curves. PMID:3370284

  10. Application of anomalous diffusion in production of negative ions

    SciTech Connect

    Jimbo, K.

    1984-11-01

    The production of negative hydrogen ions is investigated in the reflex-type negative ion sources. When anomalous diffusion in the positive column was found by Hoh and Lehnert (Phys. Fluids 3, 600 (1960)), it was pointed out that the large particle loss produced by anomalous diffusion is compensated for by the larger particle production inside the plasma. In the present experiments anomalous diffusion was artificially encouraged by changing the radial electric field inside the reflex discharge. Apparent encouragement of negative ion current by the increase of the density fluctuation amplitude is observed. Twice as much negative ion current was obtained with the artificial encouragement as without. On the other hand, the larger extracted negative ion current was observed with a lower electron temperature, which is calculated from the anomalous diffusion coefficient derived from a simple nonlinear theory. This result is consistent with Wadehra's calculated results (Appl. Phys. Lett. 35, 917 (1979)).

  11. Effects of Diffusive Property Heterogeneity on Effective MatrixDiffusion Coefficient for Fractured Rock

    SciTech Connect

    Zhang, Yingqi; Liu, Hui-hai; Zhou, Quanlin; Finsterle, Stefan

    2005-08-16

    Heterogeneities of diffusion properties are likely toinfluence the effective matrix diffusion coefficient determined fromtracer breakthrough curves. The objectives of this study are (1) toexamine if it is appropriate to use a single, effective matrix diffusioncoefficient to predict breakthrough curves in a fractured formation, (2)to examine if a postulated scale dependence of the effective matrixdiffusion coefficient is caused by heterogeneity in diffusion properties,and (3) to examine whether multirate diffusion results in the previouslyobserved time dependence of the effective matrix diffusion coefficient.The results show that the use of a single effective matrix diffusioncoefficient is appropriate only if the interchannel and intrachannelvariability of diffusion properties is small. The scale dependence of theeffective matrix diffusion coefficient is not caused by the studied typesof heterogeneity. Finally, the multirate diffusion process does notresult in the time dependence of the effective matrix diffusioncoefficient. oefficient is appropriate only if the inter- andintrachannel variability of diffusion properties is small. The scaledependence of the effective matrix diffusion coefficient is not caused byeither type of the studied heterogeneity. Finally, the multi-ratediffusion process does not result in the time dependence of the effectivematrix diffusion coefficient.

  12. Study of diffusion coefficients of glasses under Zero-G

    NASA Technical Reports Server (NTRS)

    Kinser, D. L.

    1977-01-01

    A diffusion experiment for glasses was formulated, such theoretical and earth bound results as were available were outlined, and the preliminary earth based experimental work in preparation for a weightless experiment was done. The fundamental premise of the work was that diffusion studies of the glass forming ion can be conducted in zero-g environments, and diffusion data obtained from these experiments are unique and valuable because of earth based experimental difficulties.

  13. Lateral diffusion in an archipelago. Distance dependence of the diffusion coefficient.

    PubMed Central

    Saxton, M J

    1989-01-01

    An understanding of the distance dependence of the lateral diffusion coefficient is useful in comparing the results of diffusion measurements made over different length scales, and in analyzing the kinetics of mobile redox carriers in organelles. A distance-dependent, concentration-dependent diffusion coefficient is defined, and it is evaluated by Monte Carlo calculations of a random walk by mobile point tracers in the presence of immobile obstacles on a triangular lattice, representing the diffusion of a lipid or a small protein in the presence of immobile membrane proteins. This work confirms and extends the milling crowd model of Eisinger, J., J. Flores, and W. P. Petersen (1986. Biophys J. 49:987-1001). Similar calculations for diffusion of mobile particles interacting by a hard-core repulsion yield the distance dependence of the self-diffusion coefficient. An expression for the range of short-range diffusion is obtained, and the distance scales for various diffusion measurements are summarized. PMID:2790141

  14. The diffusion of ions in unconsolidated sediments

    USGS Publications Warehouse

    Manheim, F. T.

    1970-01-01

    Diffusion in unconsolidated sediments generally proceeds at rates ranging from half to one twentieth of those applying to diffusion of ions and molecules in free solution. Diffusion rates are predictable with respect to porosity and path tortuosity in host sediments, and can be conveniently measured by determinations of electrical resistivity on bulk sediment samples. Net ion flux is further influenced by reactions of diffusing species with enclosing sediments, but such influences should not be confused with or lumped with diffusion processes. ?? 1970.

  15. POTENTIAL SCALE DEPENDENCE OF EFFECTIVE MATRIX DIFFUSION COEFFICIENT

    SciTech Connect

    H. Liu; Q. Zhou; Y. Zhang

    2006-03-13

    It is well known that matrix diffusion (mass transfer between fractures and the rock matrix through molecular diffusion) can significantly retard solute transport processes in fractured rock, and therefore is important for analyzing a variety of problems, including geological disposal of nuclear waste. Matrix-diffusion-coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock. However, by compiling results from a number of field tracer tests corresponding to different geological settings, this study demonstrates that the effective matrix diffusion coefficient at field scale is generally larger than that at lab scale and tends to increase with testing scale. Preliminary interpretations of this observation are also investigated. We found that this interesting scale dependence may be related to the complexity of flow-path geometry in fractured rock.

  16. Drag and diffusion co-efficients of heavy quarks in hard thermal loop approximations

    E-print Network

    Surasree Mazumder; Trambak Bhattacharyya; Jan-e Alam

    2013-01-24

    The drag and diffusion coefficients of heavy quarks propagating through quark gluon plasma (QGP) have been evaluated using Hard Thermal Loop (HTL) approximations. The HTL corrections to the relevant propagators and vertices have been considered. It is observed that the magnitudes of both the transport coefficients are changed significantly from values obtained by earlier approaches where either (i) the $t$ channel divergence in T=0 pQCD matrix element is shielded simply by Debye mass. or (ii) only HTL resummed propagator is used ignoring the HTL corrections at the interaction vertices. The implications of these changes in the transport coefficients on the heavy ion phenomenology have been discussed.

  17. Exact curvilinear diffusion coefficients in the repton model.

    PubMed

    Buhot, A

    2005-10-01

    The Rubinstein-Duke or repton model is one of the simplest lattice model of reptation for the diffusion of a polymer in a gel or a melt. Recently, a slightly modified model with hardcore interactions between the reptons has been introduced. The curvilinear diffusion coefficients of both models are exactly determined for all chain lengths. The case of periodic boundary conditions is also considered. PMID:16235000

  18. A local composition model for the prediction of mutual diffusion coefficients in binary liquid mixtures from tracer diffusion coefficients

    E-print Network

    Zhu, Qingyu; Moggridge, Geoff D.; D’Agostino, Carmine

    2015-04-29

    fractions which are determined from the vapour-liquid equilibria using the Wilson model. Thus, the mutual diffusion coefficient becomes: ( ) [ ] (8) The same idea was later adopted by Zhou et al. (2013) incorporating... integration is used to extract the values of activity coefficients as a function of composition. Using the Gibbs-Duhem equation and assuming the vapour phase to be ideal, the vapour phase mole fraction ( ) can be calculated from...

  19. Experimental system to evaluate the effective diffusion coefficient of radon

    NASA Astrophysics Data System (ADS)

    Hosoda, Masahiro; Tokonami, Shinji; Sorimachi, Atsuyuki; Janik, Miroslaw; Ishikawa, Tetsuo; Yatabe, Yoshinori; Yamada, Junya; Uchida, Shigeo

    2009-01-01

    The effective diffusion coefficient of radon is a very important factor in estimating the rate of radon exhalation from the ground surface. In this study, we developed an experimental system that overcomes technical problems in previous studies to accurately evaluate the effective diffusion coefficient. The radon source used for this system was the National Institute of Radiological Sciences radon chamber. This chamber is a calibrated international standard facility that can produce stable radon concentrations for long periods of time. Our tests showed that leakage of radon from the system was negligible. After the leakage test, we evaluated the effective diffusion coefficient in free-space and in dry porous materials at porosities of 35% and 45%. To ensure that the porous material in the column was as homogeneous as possible, we filled the column with an artificial soil with controlled grain size and grain composition. The measured values and theoretical calculations agreed well, which indicate that the proposed system can be used to accurately and quickly evaluate the effective diffusion coefficient.

  20. Evaluation of the vertical turbulent diffusion coefficient of industrial emissions

    NASA Astrophysics Data System (ADS)

    Ryzhakova, N. K.; Pokrovskaya, E. A.; Babicheva, V. O.

    2015-07-01

    A method for determining the vertical turbulent diffusion coefficients of industrial emissions in complex terrain and with long exposure times has been considered. The method is based on the usage of the distribution of the polluting impurity measured along a certain direction from a point source. The measurements are carried out with moss-biomonitors for a CHP in Novosibirsk.

  1. Pyrrole copolymers with enhanced ion diffusion rates for lithium batteries

    SciTech Connect

    Calvert, P.; Gardlund, Z.; Huntoon, T.; Hall, H.K.; Padias, A.

    1998-07-01

    Copolymers of pyrrole with a polyether-substituted pyrrole were tested as cathodes for lithium batteries. The charge and discharge characteristics showed that anion transport was much faster in the copolymer than in polypyrrole. As a result these electrodes store and release much more charge at higher current densities but are similar to polypyrrole at low currents. Pulse and relaxation measurements of the ion diffusion showed that this difference was due to a ten-fold increase in the anion diffusion coefficient.

  2. Diffusion of solvents in coals: 2. Measurement of diffusion coefficients of pyridine in Cayirhan lignite

    SciTech Connect

    Meryem Seferinolu; Yuda Yurum

    2006-05-15

    The aim of this study is to measure the diffusion coefficients of pyridine in Turkish Cayirhan lignite (C: 57.1 wt%, dmmf) at temperatures about 20-27{sup o}C and determine the type of transport mechanism of diffusion. The raw coal sample was demineralized with HCl and HF by standard methods, and the raw and demineralized coal samples were extracted with pyridine. To investigate the diffusion of pyridine vapor in coal samples, the mass of pyridine uptake per mass of coal sample (M{sub t}/M{sub {infinity}}) was calculated as a function of time. The diffusion coefficients were measured from the slope of graphs of M{sub t}/M{sub {infinity}} versus t{sup 1/2}. The diffusion coefficient of pyridine in the raw coal increased from 10.0 x 10{sup -15} to 11.9 x 10{sup -15} m{sup 2}/s when the temperature was elevated from 21.1 to 26.9{sup o}C, respectively. The diffusion coefficients of pyridine raw coal and of those treated with HCl and HF were 11.9 x 10{sup -15}, 4.3 x 10{sup -15}, and 4.8 x 10{sup -15} m{sup 2}/s at 26.9{sup o}C, respectively. The studies in the present work on pyridine vapor diffusion in raw coals have generally indicated that the diffusion obeyed the Fickian diffusion mechanism the temperatures 20.0-27.0{sup o}C. Generally, the diffusion exponent values increased when the temperature elevated from 20.0 to 27.0{sup o}C, but this rise placed the diffusion of pyridine between the Fickian diffusion and Case II diffusion mechanisms. 29 refs., 6 figs., 4 tabs.

  3. Vertical eddy diffusion coefficient from the LANDSAT imagery

    NASA Technical Reports Server (NTRS)

    Viswanadham, Y. (principal investigator); Torsani, J. A.

    1982-01-01

    Analysis of five stable cases of the smoke plumes that originated in eastern Cabo Frio (22 deg 59'S; 42 deg 02'W), Brazil using LANDSAT imagery is presented for different months and years. From these images the lateral standard deviation (sigma sub y) and the lateral eddy diffusion coefficient (K sub y) are obtained from the formula based on Taylor's theory of diffusion by continuous moment. The rate of kinetic energy dissipation (e) is evaluated from the diffusion parameters sigma sub y and K sub y. Then, the vertical diffusion coefficient (K sub z) is estimated using Weinstock's formulation. These results agree well with the previous experimental values obtained over water surfaces by various workers. Values of e and K sub z show the weaker mixing processes in the marine stable boundary layer. The data sample is apparently to small to include representative active turbulent regions because such regions are so intermittent in time and in space. These results form a data base for use in the development and validation of mesoscale atmospheric diffusion models.

  4. Effects of diffusive property heterogeneity on effective matrix diffusion coefficient for fractured rock

    E-print Network

    Zhou, Quanlin

    rock Yingqi Zhang,1 Hui-hai Liu,1 Quanlin Zhou,1 and Stefan Finsterle1 Received 16 August 2005; revised diffusion coefficient for fractured rock, Water Resour. Res., 42, W04405, doi:10.1029/2005WR004513. 1 in fractured rock. Understand- ing the diffusion of contaminants from fractures into the matrix is essential

  5. Secondary Ion Mass Spectrometry for Mg Tracer Diffusion: Issues and Solutions

    SciTech Connect

    Tuggle, Jay; Giordani, Andrew; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Coffey, Kevin; Sohn, Yong Ho; HunterJr., Jerry

    2014-01-01

    A Secondary Ion Mass Spectrometry (SIMS) method has been developed to measure stable Mg isotope tracer diffusion. This SIMS method was then used to calculate Mg self- diffusivities and the data was verified against historical data measured using radio tracers. The SIMS method has been validated as a reliable alternative to the radio-tracer technique for the measurement of Mg self-diffusion coefficients and can be used as a routine method for determining diffusion coefficients.

  6. Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient

    NASA Astrophysics Data System (ADS)

    Kowsari, M. H.; Alavi, Saman; Ashrafizaadeh, Mahmud; Najafi, Bijan

    2008-12-01

    Molecular dynamics simulations are used to study the dynamics and transport properties of 12 room-temperature ionic liquids of the 1-alkyl-3-methylimidazolium [amim]+ (alkyl=methyl, ethyl, propyl, and butyl) family with PF6-, NO3-, and Cl- counterions. The explicit atom transferable force field of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] is used in the simulations. In this first part, the dynamics of the ionic liquids are characterized by studying the mean-square displacement (MSD) and the velocity autocorrelation function (VACF) for the centers of mass of the ions at 400 K. Trajectory averaging was employed to evaluate the diffusion coefficients at two temperatures from the linear slope of MSD(t) functions in the range of 150-300 ps and from the integration of the VACF(t) functions at 400 K. Detailed comparisons are made between the diffusion results from the MSD and VACF methods. The diffusion coefficients from the integration of the VACFs are closer to experimental values than the diffusion coefficients calculated from the slope of MSDs. Both methods can show good agreement with experiment in predicting relative trends in the diffusion coefficients and determining the role of the cation and anion structures on the dynamical behavior of this family of ionic liquids. The MSD and self-diffusion of relatively heavier imidazolium cations are larger than those of the lighter anions from the Einstein results, except for the case of [bmim][Cl]. The cationic transference number generally decreases with temperature, in good agreement with experiments. For the same anion, the cationic transference numbers decrease with increasing length of the alkyl chain, and for the same cation, the trends in the cationic transference numbers are [NO3]-<[Cl]-<[PF6]-. The trends in the diffusion coefficient in the series of cations with identical anions are [emim]+>[pmim]+>[bmim]+ and those for anions with identical cations are [NO3]->[PF6]->[Cl]-. The [dmim]+ has a relatively low diffusion coefficient due to its symmetric structure and good packing in the liquid phase. The major factor for determining the magnitude of the self-diffusion is the geometric shape of the anion of the ionic liquid. Other important factors are the ion size and the charge delocalization in the anion.

  7. Diffusion coefficients of two-dimensional viral DNA walks

    NASA Astrophysics Data System (ADS)

    Hsu, Tai-Hsin; Nyeo, Su-Long

    2003-05-01

    DNA sequences are represented as two-dimensional walkers based on groups of mapping rules for the nucleotides in the DNA sequences. Digital sequences from irrational and random numbers in base 4 are generated and their diffusion properties are then compared with those of 21 nucleotide sequences of animal and plant viruses. By defining the diffusion coefficient as a function of the number of steps taken in a walk, we show that the coefficients for the viral DNA sequences generally have maximum values considerably larger than those for the random-number sequences of same lengths. Moreover, using the walker diagrams generated by different mapping groups, we can study the dominance of any of the nucleotide pairs (AG or CT), (AC or GT), or (AT or CG) in a DNA sequence. Other possible studies of this approach are mentioned.

  8. Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma

    NASA Astrophysics Data System (ADS)

    Bakhtiyari-Ramezani, M.; Mahmoodi, J.; Alinejad, N.

    2015-11-01

    In the fusion devices, ions, H atoms, and H2 molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H2 molecules, and desorption of the recombined H2 molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.

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

    SciTech Connect

    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 axisymmetric diffusion experiment coupled with tracer profiling may be a promising approach to estimate of diffusion anisotropy of sedimentary rocks.

  10. Lithium ion diffusion in Li ?-alumina single crystals measured by pulsed field gradient NMR spectroscopy

    SciTech Connect

    Chowdhury, Mohammed Tareque Takekawa, Reiji; Iwai, Yoshiki; Kuwata, Naoaki; Kawamura, Junichi

    2014-03-28

    The lithium ion diffusion coefficient of a 93% Li ?-alumina single crystal was measured for the first time using pulsed field gradient (PFG) NMR spectroscopy with two different crystal orientations. The diffusion coefficient was found to be 1.2 × 10{sup ?11} m{sup 2}/s in the direction perpendicular to the c axis at room temperature. The Li ion diffusion coefficient along the c axis direction was found to be very small (6.4 × 10{sup ?13} m{sup 2}/s at 333 K), which suggests that the macroscopic diffusion of the Li ion in the ?-alumina crystal is mainly two-dimensional. The diffusion coefficient for the same sample was also estimated using NMR line narrowing data and impedance measurements. The impedance data show reasonable agreement with PFG-NMR data, while the line narrowing measurements provided a lower value for the diffusion coefficient. Line narrowing measurements also provided a relatively low value for the activation energy and pre-exponential factor. The temperature dependent diffusion coefficient was obtained in the temperature range 297–333 K by PFG-NMR, from which the activation energy for diffusion of the Li ion was estimated. The activation energy obtained by PFG-NMR was smaller than that obtained by impedance measurements, which suggests that thermally activated defect formation energy exists for 93% Li ?-alumina single crystals. The diffusion time dependence of the diffusion coefficient was observed for the Li ion in the 93% Li ?-alumina single crystal by means of PFG-NMR experiments. Motion of Li ion in fractal dimension might be a possible explanation for the observed diffusion time dependence of the diffusion coefficient in the 93% Li ?–alumina system.

  11. Effect of concentration dependence of the diffusion coefficient on homogenization kinetics in multiphase binary alloy systems

    NASA Technical Reports Server (NTRS)

    Tenney, D. R.; Unnam, J.

    1978-01-01

    Diffusion calculations were performed to establish the conditions under which concentration dependence of the diffusion coefficient was important in single, two, and three phase binary alloy systems. Finite-difference solutions were obtained for each type of system using diffusion coefficient variations typical of those observed in real alloy systems. Solutions were also obtained using average diffusion coefficients determined by taking a logarithmic average of each diffusion coefficient variation considered. The constant diffusion coefficient solutions were used as reference in assessing diffusion coefficient variation effects. Calculations were performed for planar, cylindrical, and spherical geometries in order to compare the effect of diffusion coefficient variations with the effect of interface geometries. In most of the cases considered, the diffusion coefficient of the major-alloy phase was the key parameter that controlled the kinetics of interdiffusion.

  12. Distribution coefficients of rare earth ions in cubic zirconium dioxide

    NASA Astrophysics Data System (ADS)

    Romer, H.; Luther, K.-D.; Assmus, W.

    1994-08-01

    Cubic zirconium dioxide crystals are grown with the skull melting technique. The effective distribution coefficients for Nd(exp 3+), Sm(exp 3+) and Er(sup 3+) as dopants are determined experimentally as a function of the crystal growth velocity. With the Burton-Prim-Slichter theory, the equilibrium distribution coefficients can be calculated. The distribution coefficients of all other trivalent rare earth ions can be estimated by applying the correlation towards the ionic radii.

  13. Radon diffusion coefficients in soils of varying moisture content

    NASA Astrophysics Data System (ADS)

    Papachristodoulou, C.; Ioannides, K.; Pavlides, S.

    2009-04-01

    Radon is a naturally occurring radioactive gas that is generated in the Earth's crust and is free to migrate through soil and be released to the atmosphere. Due to its unique properties, soil gas radon has been established as a powerful tracer used for a variety of purposes, such as exploring uranium ores, locating geothermal resources and hydrocarbon deposits, mapping geological faults, predicting seismic activity or volcanic eruptions and testing atmospheric transport models. Much attention has also been given to the radiological health hazard posed by increased radon concentrations in the living and working environment. In order to exploit radon profiles for geophysical purposes and also to predict its entry indoors, it is necessary to study its transport through soils. Among other factors, the importance of soil moisture in such studies has been largely highlighted and it is widely accepted that any measurement of radon transport parameters should be accompanied by a measurement of the soil moisture content. In principle, validation of transport models in the field is encountered by a large number of uncontrollable and varying parameters; laboratory methods are therefore preferred, allowing for experiments to be conducted under well-specified and uniform conditions. In this work, a laboratory technique has been applied for studying the effect of soil moisture content on radon diffusion. A vertical diffusion chamber was employed, in which radon was produced from a 226Ra source, was allowed to diffuse through a soil column and was finally monitored using a silicon surface barrier detector. By solving the steady-state radon diffusion equation, diffusion coefficients (D) were determined for soil samples of varying moisture content (m), from null (m=0) to saturation (m=1). For dry soil, a D value of 4.1×10-7 m2s-1 was determined, which increased moderately by a factor of ~3 for soil with low moisture content, i.e. up to m ~0.2. At higher water fractions, a decrease in D was initiated and became particularly pronounced approaching complete saturation; at m =0.9, D was as low as 2×10-9 m2s-1. A series of field experiments has also been conducted using alpha-track CR-39 detectors to follow the moisture-dependence of radon diffusion through soil under natural conditions. Diffusion coefficients were determined as a function of surface soil moisture assuming a one-dimensional diffusive radon transport model. Comparison between results obtained by the two methods showed that laboratory studies may provide a good indication of radon diffusion coefficients to be expected in the field. However, values determined in the field were systematically lower than those assessed in the laboratory. This finding could be attributed to soil-dependent parameters, such as differences in pore space geometry between the soil used in laboratory experiments and the undisturbed soil. In the latter case, the higher degree of compaction imposes a more tortuous pathway to soil gas, while at the same time the diffusive gas flux is hindered by local-scale zones of higher bulk density or water content.

  14. Calculation of combined diffusion coefficients in SF{sub 6}-Cu mixtures

    SciTech Connect

    Zhong, Linlin; Wang, Xiaohua Rong, Mingzhe Wu, Yi; Murphy, Anthony B.

    2014-10-15

    Diffusion coefficients play an important role in the description of the transport of metal vapours in gas mixtures. This paper is devoted to the calculation of four combined diffusion coefficients, namely, the combined ordinary diffusion coefficient, combined electric field diffusion coefficient, combined temperature diffusion coefficient, and combined pressure diffusion coefficient in SF{sub 6}-Cu mixtures at temperatures up to 30?000?K. These four coefficients describe diffusion due to composition gradients, applied electric fields, temperature gradients, and pressure gradients, respectively. The influence of copper fluoride and sulfide species on the diffusion coefficients is shown to be negligible. The effect of copper proportion and gas pressures on these diffusion coefficients is investigated. It is shown that increasing the proportion of copper generally increases the magnitude of the four diffusion coefficients, except for copper mole fractions of 90% or more. It is further found that increasing the pressure reduces the magnitude of the coefficients, except for the combined temperature diffusion coefficient, and shifts the maximum of all four coefficients towards higher temperatures. The results presented in this paper can be applied to the simulation of high-voltage circuit breaker arcs.

  15. Simulations of anomalous ion diffusion in experimentally measured turbulent potential

    NASA Astrophysics Data System (ADS)

    Seidl, J.; Krlín, L.; Pánek, R.; Pavlo, P.; Stöckel, J.; Svoboda, V.

    2009-08-01

    The diffusion of plasma impurities in tokamak-edge-plasma turbulence is investigated numerically. The time-dependent potential governing particle motion was measured by 2D array of 8×8 Langmuir probes in edge region of CASTOR tokamak. The diffusion of particles is found to be classical in the radial direction, but it can be of an anomalous Lévy-walk type in the poloidal direction. The diffusion is found to be dependent on the ratio of particles’ mass and charge. When this ratio grows, the diffusion coefficient in radial direction grows as well, whereas poloidal diffusion coefficient drops down. Moreover, movement of particles in the time-frozen snapshot of this potential is investigated showing that also the time-independent potential is much more favorable for the particle diffusion in poloidal direction than in radial one. In the case of single ionized carbon ions the poloidal diffusion in time-independent potential transits to the Lévy-walk type for temperatures greater than 25 eV, for radial diffusion Lévy-walk was not observed even for 500 eV.

  16. Measurement of diffusion coefficients of francium and rubidium in yttrium based on laser spectroscopy

    E-print Network

    de Mauro, C; Corradi, L; Dainelli, A; Khanbekyan, A; Mariotti, E; Minguzzi, P; Moi, L; Sanguinetti, S; Stancari, G; Tomassetti, L; Veronesi, S

    2008-01-01

    We report the first measurement of the diffusion coefficients of francium and rubidium ions implanted in a yttrium foil. We developed a methodology, based on laser spectroscopy, which can be applied to radioactive and stable species, and allows us to directly take record of the diffusion time. Francium isotopes are produced via fusion-evaporation nuclear reaction of a 100 MeV 18-O beam on a Au target at the Tandem XTU accelerator facility in Legnaro, Italy. Francium is ionized at the gold-vacuum interface and Fr+ ions are then transported with a 3 keV electrostatic beamline to a cell for neutralization and capture in a magneto-optical trap (MOT). A Rb+ beam is also available, which follows the same path as Fr+ ions. The accelerated ions are focused and implanted in a 25 um thick yttrium foil for neutralization: after diffusion to the surface, they are released as neutrals, since the Y work function is lower than the alkali ionization energies. The time evolution of the MOT and the vapor fluorescence signals a...

  17. Continuum Absorption Coefficient of Atoms and Ions

    NASA Technical Reports Server (NTRS)

    Armaly, B. F.

    1979-01-01

    The rate of heat transfer to the heat shield of a Jupiter probe has been estimated to be one order of magnitude higher than any previously experienced in an outer space exploration program. More than one-third of this heat load is due to an emission of continuum radiation from atoms and ions. The existing computer code for calculating the continuum contribution to the total load utilizes a modified version of Biberman's approximate method. The continuum radiation absorption cross sections of a C - H - O - N ablation system were examined in detail. The present computer code was evaluated and updated by being compared with available exact and approximate calculations and correlations of experimental data. A detailed calculation procedure, which can be applied to other atomic species, is presented. The approximate correlations can be made to agree with the available exact and experimental data.

  18. C-Depth Method to Determine Diffusion Coefficient and Partition Coefficient of PCB in Building Materials.

    PubMed

    Liu, Cong; Kolarik, Barbara; Gunnarsen, Lars; Zhang, Yinping

    2015-10-20

    Polychlorinated biphenyls (PCBs) have been found to be persistent in the environment and possibly harmful. Many buildings are characterized with high PCB concentrations. Knowledge about partitioning between primary sources and building materials is critical for exposure assessment and practical remediation of PCB contamination. This study develops a C-depth method to determine diffusion coefficient (D) and partition coefficient (K), two key parameters governing the partitioning process. For concrete, a primary material studied here, relative standard deviations of results among five data sets are 5%-22% for K and 42-66% for D. Compared with existing methods, C-depth method overcomes the inability to obtain unique estimation for nonlinear regression and does not require assumed correlations for D and K among congeners. Comparison with a more sophisticated two-term approach implies significant uncertainty for D, and smaller uncertainty for K. However, considering uncertainties associated with sampling and chemical analysis, and impact of environmental factors, the results are acceptable for engineering applications. This was supported by good agreement between model prediction and measurement. Sensitivity analysis indicated that effective diffusion distance, contacting time of materials with primary sources, and depth of measured concentrations are critical for determining D, and PCB concentration in primary sources is critical for K. PMID:26347992

  19. Friction Coefficient for Deep-Inelastic Heavy-Ion Collisions

    E-print Network

    G. G. Adamian; R. V. Jolos; A. K. Nasirov; A. I. Muminov

    1996-10-01

    Based on the microscopic model, the friction coefficient for the relative motion of nuclei in deep-inelastic heavy-ion collisions is calculated. The radial dependence of the friction coefficient is studied and the results are compared with those found by other methods. Based on this result, it was demonstrated that the kinetic energy dissipation in deep-inelastic heavy-ion collisions is a gradual process which takes up a significant part of a reaction time. An advantage of the suggested method is that it allows one to consider the relative motion of nuclei and the intrinsic motion self-consistently.

  20. Evaluation of ligand-selector interaction from effective diffusion coefficient.

    PubMed

    Bielejewska, Anna; Bylina, Andrzej; Duszczyk, Kazimiera; Fia?kowski, Marcin; Ho?yst, Robert

    2010-07-01

    We present an analytical technique for determination of ligand-selector equilibrium binding constants. The method is based on the measurements of effective molecular diffusion coefficient of the ligand during Poiseuille flow through a long (approximately 25 m), thin (0.254 mm +/- 0.05 mm ID) capillary with and without the selector. The data are analyzed using the Taylor dispersion theory. Bovine Serum Albumin (BSA) and cyclodextrin (CD) were taken as model selectors. We have tested our method on the following selector-ligand complexes: BSA with warfarin, propranolol, noscapine, salicylic acid, and riboflavin, and cyclodextrin with 4-nitrophenol. The results are in good agreement with data from the literature and with our own results obtained within classical chromatography. This method works equally well for uncharged and charged compounds. PMID:20536185

  1. How to measure pitch-angle diffusion coefficient at ? ~ 90°

    NASA Astrophysics Data System (ADS)

    Ostryakov, V. M.

    2015-12-01

    It is well known that the quasilinear theory of particle pitch-angle (?) scattering by magnetohydrodynamic turbulence results in the peculiarities at ? = 90°. We propose a simple method of measuring of the pitch-angle diffusion coefficient in this range. It is based on the anisotropy detection of the back-scattered flare particles. This possibility relies on the mutual geometrical location of the particle source (flare site), part of the Archemedean spiral where the particles propagate and the measuring device. The most reliably this scheme must work for the neutron-decay protons originated from the behind-limb flares. In this case only the protons scattered at ? = 90° must reach the probe while the direct proton flux will be significantly depressed. The time profile of the particle anisotropy in such a geometry (at known source properties) allows one to choose an adequate model of the particle scattering at the pitch-angle domain ? = 90°.

  2. Measurement of diffusion coefficient of propylene glycol in skin tissue

    NASA Astrophysics Data System (ADS)

    Genin, Vadim D.; Bashkatov, Alexey N.; Genina, Elina A.; Tuchin, Valery V.

    2015-03-01

    Optical clearing of the rat skin under the action of propylene glycol was studied ex vivo. It was found that collimated transmittance of skin samples increased, whereas weight and thickness of the samples decreased during propylene glycol penetration in skin tissue. A mechanism of the optical clearing under the action of propylene glycol is discussed. Diffusion coefficient of propylene glycol in skin tissue ex vivo has been estimated as (1.35±0.95)×10-7 cm2/s with the taking into account of kinetics of both weight and thickness of skin samples. The presented results can be useful for enhancement of many methods of laser therapy and optical diagnostics of skin diseases and localization of subcutaneous neoplasms.

  3. Diffusion coefficient and radial gradient of galactic cosmic rays

    E-print Network

    Modzelewska, Renata

    2015-01-01

    We present the temporal changes of the diffusion coefficient K of galactic cosmic rays (GCRs) at the Earth orbit calculated based on the experimental data using two different methods. The first approach is based on the Parker convection-diffusion approximation of GCR modulation [1]: i.e. K~Vr=dI where dI is the variation of the GCR intensity measured by neutron monitors (NM),V is the solar wind velocity and r is the radial distance. The second approach is based on the interplanetary magnetic field (IMF) data. It was suggested that parallel mean free path can be expressed in terms of B as in [2]-[4]. Using data of the product of the parallel mean free path and radial gradient of GCR calculated based on the GCR anisotropy data (Ahluwalia et al., this conference ICRC 2013, poster ID: 487 [5]), we estimate the temporal changes of the radial gradient of GCR at the Earth orbit. We show that the radial gradient exhibits a strong solar cycle dependence (11-year variation) and a weak solar magnetic cycle dependence (2...

  4. Diffusion studies with radioactive ions

    NASA Astrophysics Data System (ADS)

    Räisänen, J.; Whitlow, H. J.

    2014-01-01

    An overview of the modified radiotracer based diffusion studies carried out at IGISOL is provided. The experimental procedures are briefly described followed by examples involving IGISOL as the key facility. In this respect the studies related to silicon-germanium (Si1 - xGex) alloys and on the related diffusion systematics are summarized. Another group of examples is related to mobility determination of lead isotopes in glass for verifying retrospective radon measurements. Finally an outlook to future possibilities related to employing radiotracers in solid state research is provided.

  5. Experimental Method Development for Estimating Solid-phase Diffusion Coefficients and Material/Air Partition Coefficients of SVOCs

    EPA Science Inventory

    The solid-phase diffusion coefficient (Dm) and material-air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to es...

  6. Critical assessment of diffusion coefficients in semidilute to concentrated solutions of polystyrene in toluene

    NASA Astrophysics Data System (ADS)

    Pollak, T.; Köhler, W.

    2009-03-01

    We have measured collective diffusion coefficients of dilute, semidilute, and concentrated solutions of polystyrene in toluene up to a polymer concentration of 0.832 mass fractions at T =25 °C. The three employed experimental techniques of photon correlation spectroscopy, thermal diffusion forced Rayleigh scattering, and optical beam deflection cover four orders of magnitude with respect to their characteristic diffusion lengths (200 nm-2.9 mm), corresponding to more than 8 decades of the diffusion time constants. Contrary to existing literature data, which suggest a length scale dependent anomalous diffusion at high concentrations, all our techniques yield identical diffusion coefficients and purely Fickian diffusion, irrespective of their characteristic length scale.

  7. Study of diffusion coefficient of anhydrous trehalose glasses by using PFG-NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Kwon, Hyun-Joung; Takekawa, Reiji; Kawamura, Junichi; Tokuyama, Michio

    2013-02-01

    We investigated the temperature dependent long time self-diffusion coefficient of the anhydrous trehalose supercooled liquids by using pulsed field gradient nuclear magnetic resonance (PFG-NMR) spectroscopy. At the same temperature ranges, the diffusion coefficient convoluted from the ?-relaxation time as Einstein-Smoluchowski relaxation, measured by using the dielectric loss spectroscopy are well overlapped with diffusion coefficients within experimental error. The temperature dependent diffusion coefficients obtained from different methods are normalized by fictive temperature and well satisfied the single master curve, proposed by Tokuyama.

  8. High silicon self-diffusion coefficient in dry forsterite

    NASA Astrophysics Data System (ADS)

    Katsura, T.; Fei, H.; Hegoda, C.; Yamazaki, D.; Wiedenbeck, M.; Yurimoto, H.; Shcheka, S.

    2012-12-01

    Plastic deformation of mantle minerals is believed to be controlled by self-diffusion of the slowest species, which is silicon in silicate minerals. Olivine is the main constituent of upper mantle. Therefore, silicon self-diffusion coefficient (DSi) in olivine provides the basic information of upper mantle rheology. Dohmen et al. [1] and Jaoul et al. [2] measured the DSi at ambient pressure under dry conditions in natural olivine and iron-free forsterite, respectively. However, their results were ~2-3 orders of magnitude lower than that estimated from deformation experiments [3]. In this study, we revisited DSi in forsterite and resolved this discrepancy [4]. Forsterite single crystals were polished in colloidal silica solution, deposited with 300-500 nm of 29Si enriched Mg2SiO4 films, covered by 100 nm of ZrO2 films, and annealed at 1600-1800 K from ambient pressure up to 13 GPa using an ambient pressure furnace and multi-anvil apparatus. The surface roughness after diffusion were reduced to <50 nm by polishing again in colloidal silica solution. Diffusion profiles were obtained by SIMS. Water contents in the samples were <1 ?g/g by FT-IR [4]. logDSi were determined to be -19.7±0.4 and -18.1±0.3 log[m2/s] under ambient pressure at 1600 and 1800 K, respectively. These values were 2.4 orders of magnitude higher than that determined by Jaoul et al. [2] in forsterite, as well as that reprted by Dohmen et al. [1] in natural olivine. Their low DSi could be obtained due to the bad contact of the coated films with the substrate. Our results well explain the high dislocation climb rates in deformation experiments [4]. We also determined a small negative pressure dependence of DSi with an activation volume of 1.7±0.4 cm3/mol, and an activation energy of ~410 kJ/mol. Calibratied to the same temperature, the nearly linear relationship of DSi against pressure in dry forsterite in this study, iron and water bearing wadsleyite and ringwoodite by Shimojuku et al. [5] demostrates that effects of iron, water, and structural difference of (Mg,Fe)2SiO4 polymorphs on silicon diffusion are small. Viscosity in upper mantle should be almost constant with depth by assuming it inversely proportional to DSi [4]. [1] Dohmen et al. (2002), GRL 29 (21), 2030. [2] Jaoul et al. (1981), Anelasticity in the Earth, Geodyn. 4, 95-100. [3] Goetze and Kohlstedt (1973), JGR 78 (26), 5961-5971. [4] Fei et al. (2012), EPSL 345-348, 95-103. [5] Shimojuku et al. (2009), EPSL 284, 103-112.

  9. Reproducibility of Apparent Diffusion Coefficient Measurements in Malignant Breast Masses

    PubMed Central

    Jang, Mijung; Yun, Bo La; Ahn, Hye Shin; Kim, Soo Yeon; Kang, Eunyoung; Kim, Sung-Won

    2015-01-01

    This study aimed to evaluate the reproducibility of apparent diffusion coefficient (ADC) measurements in malignant breast masses, and to determine the influence of mammographic parenchymal density on this reproducibility. Sixty-six patients with magnetic resonance findings of the mass were included. Two breast radiologists measured the ADC of the malignant breast mass and the same area on the contralateral normal breast in each patient twice. The effects of mammographic parenchymal density, histology, and lesion size on reproducibility were also assessed. There was no significant difference in the mean ADC between repeated measurements in malignant breast masses and normal breast tissue. The overall reproducibility of ADC measurements was good in both. The 95% limits of agreement for repeated ADCs were approximately 30.2%-33.4% of the mean. ADC measurements in malignant breast masses were highly reproducible irrespective of mass size, histologic subtype, or coexistence of microcalcifications; however, the measurements tended to be less reproducible in malignant breast masses with extremely dense parenchymal backgrounds. ADC measurements in malignant breast masses are highly reproducible; however, mammographic parenchymal density can potentially influence this reproducibility. PMID:26539016

  10. Controlling chloride ions diffusion in concrete

    PubMed Central

    Zeng, Lunwu; Song, Runxia

    2013-01-01

    The corrosion of steel in concrete is mainly due to the chemical reaction between the chloride ions and iron ions. Indeed, this is a serious threaten for reinforced concrete structure, especially for the reinforced concrete structure in the sea. So it is urgent and important to protect concrete against chloride ions corrosion. In this work, we report multilayer concrete can cloak chloride ions. We formulated five kinds of concrete A, B, C, D and E, which are made of different proportion of cement, sand and glue, and fabricated six-layer (ABACAD) cylinder diffusion cloak and background media E. The simulation results show that the six-layer mass diffusion cloak can protect concrete against chloride ions penetration, while the experiment results show that the concentration gradients are parallel and equal outside the outer circle in the diffusion flux lines, the iso-concentration lines are parallel outside the outer circle, and the concentration gradients in the inner circle are smaller than those outside the outer circle. PMID:24285220

  11. Controlling chloride ions diffusion in concrete.

    PubMed

    Zeng, Lunwu; Song, Runxia

    2013-01-01

    The corrosion of steel in concrete is mainly due to the chemical reaction between the chloride ions and iron ions. Indeed, this is a serious threaten for reinforced concrete structure, especially for the reinforced concrete structure in the sea. So it is urgent and important to protect concrete against chloride ions corrosion. In this work, we report multilayer concrete can cloak chloride ions. We formulated five kinds of concrete A, B, C, D and E, which are made of different proportion of cement, sand and glue, and fabricated six-layer (ABACAD) cylinder diffusion cloak and background media E. The simulation results show that the six-layer mass diffusion cloak can protect concrete against chloride ions penetration, while the experiment results show that the concentration gradients are parallel and equal outside the outer circle in the diffusion flux lines, the iso-concentration lines are parallel outside the outer circle, and the concentration gradients in the inner circle are smaller than those outside the outer circle. PMID:24285220

  12. Gas phase diffusion coefficients of reactive trace gases in the atmosphere

    NASA Astrophysics Data System (ADS)

    Tang, Mingjin; Shiraiwa, Manabu; Cox, Tony; Pöschl, Ulrich; Kalberer, Markus

    2015-04-01

    Diffusion of gas molecules to the surface is the first step for all gas-surface reactions. Gas phase diffusion can influence and sometimes even limit the overall rates of these reactions. However, there is no database of the gas phase diffusion coefficients of atmospheric reactive trace gases. We have compiled and evaluated, for the first time, the diffusivities (pressure independent diffusion coefficients) of atmospheric inorganic (Tang et al., 2014) and organic reactive trace gases reported in the literature. The measured diffusivities are then compared with estimated values using a semi-empirical method developed by Fuller et al. (1966). The diffusivities estimated using Fuller's method are typically found to be in good agreement with the measured values within ±30%, and therefore Fuller's method can be used to estimate the diffusivities of trace gases for which experimental data are not available. The two experimental methods used in the atmospheric chemistry community to measure the gas phase diffusion coefficients are also discussed.

  13. MEASUREMENT OF EFFECTIVE AIR DIFFUSION COEFFICIENTS FOR TRICHLOROETHENE IN UNDISTURBED SOIL CORES. (R826162)

    EPA Science Inventory

    Abstract

    In this study, we measure effective diffusion coefficients for trichloroethene in undisturbed soil samples taken from Picatinny Arsenal, New Jersey. The measured effective diffusion coefficients ranged from 0.0053 to 0.0609 cm2/s over a range of air...

  14. Simulating the Gas Diffusion Coefficient in Macropore Network Images: Influences of Soil Pore Morphology

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Knowledge of the diffusion coefficient is necessary for modeling gas transport in soils and other porous media. This study was conducted to determine the relationship between the diffusion coefficient and pore structure parameters, such as the fractal dimension of pores (Dmp), the shortest path leng...

  15. HARDI Denoising: Variational Regularization of the Spherical Apparent Diffusion Coefficient

    E-print Network

    Vese, Luminita A.

    data. 1 Introduction to the HARDI Data Currently, HARDI data is used to map cerebral connectivity of the diffusion tensor can be used to recover the dominant fiber pathway at that voxel. The diffusion tensor model

  16. Data set for diffusion coefficients of alloying elements in dilute Mg alloys from first-principles

    PubMed Central

    Zhou, Bi-Cheng; Shang, Shun-Li; Wang, Yi; Liu, Zi-Kui

    2015-01-01

    Diffusion coefficients of alloying elements in Mg are critical for the development of new Mg alloys for lightweight applications. Here we present the data set of the temperature-dependent dilute tracer diffusion coefficients for 47 substitutional alloying elements in hexagonal closed packed (hcp) Mg calculated from first-principles calculations based on density functional theory (DFT) by combining transition state theory and an 8-frequency model. Benchmark for the DFT calculations and systematic comparison with experimental diffusion data are also presented. The data set refers to “Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study” by Zhou et al. [1]. PMID:26702419

  17. Temperature effects on diffusion coefficient for 6-gingerol and 6-shogaol in subcritical water extraction

    NASA Astrophysics Data System (ADS)

    Ilia Anisa, Nor; Azian, Noor; Sharizan, Mohd; Iwai, Yoshio

    2014-04-01

    6-gingerol and 6-shogaol are the main constituents as anti-inflammatory or bioactive compounds from zingiber officinale Roscoe. These bioactive compounds have been proven for inflammatory disease, antioxidatives and anticancer. The effect of temperature on diffusion coefficient for 6-gingerol and 6-shogaol were studied in subcritical water extraction. The diffusion coefficient was determined by Fick's second law. By neglecting external mass transfer and solid particle in spherical form, a linear portion of Ln (1-(Ct/Co)) versus time was plotted in determining the diffusion coefficient. 6-gingerol obtained the higher yield at 130°C with diffusion coefficient of 8.582x10-11 m2/s whilst for 6-shogaol, the higher yield and diffusion coefficient at 170°C and 19.417 × 10-11 m2/s.

  18. Diffusion coefficient of an inclusion in a liquid membrane supported by a solvent of arbitrary thickness

    NASA Astrophysics Data System (ADS)

    Seki, Kazuhiko; Ramachandran, Sanoop; Komura, Shigeyuki

    2011-08-01

    The diffusion coefficient of an inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions, a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane, are studied. The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths, which vary according to the solvent thickness. When the membrane fluid is dragged by the solvent of finite thickness, via stick boundary conditions, multiple hydrodynamic screening lengths together with the weight factors to the diffusion coefficients are obtained from the characteristic equation. The conditions for which the diffusion coefficients can be approximated by the expression including only a single hydrodynamic screening length are also shown.

  19. Diffusion coefficient of an inclusion in a liquid membrane supported by a solvent of arbitrary thickness

    E-print Network

    Kazuhiko Seki; Sanoop Ramachandran; Shigeyuki Komura

    2011-07-22

    The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions - a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane are studied.The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths which vary according to the solvent thickness. When the membrane fluid is dragged by the solvent of finite thickness, via stick boundary conditions, multiple hydrodynamic screening lengths together with the weight factors to the diffusion coefficients are obtained from the dispersion relation. The condition for which the diffusion coefficients can be approximated by the expression including only a single hydrodynamic screening length are also shown.

  20. Diffusion coefficients of vacancies and interstitials along tilt grain boundaries in molybdenum

    NASA Astrophysics Data System (ADS)

    Novoselov, I. I.; Kuksin, A. Yu.; Yanilkin, A. V.

    2014-05-01

    The diffusion coefficients of vacancies and interstitials along symmetrical tilt grain boundaries in molybdenum have been calculated using the molecular dynamics method. The migration energies of defects have been obtained. The activation energy and coefficients of grain boundary self-diffusion have been deter-mined. A comparison of the obtained results with the studies of other authors indicates that boundaries formed between particles in the powder in sintering experiments have a higher diffusion activity as compared to stable grain boundaries in polycrystals.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  2. An analytical estimate of the coefficient for radial charged particle diffusion in Jupiter's magnetosphere using plasma radial distribution

    NASA Astrophysics Data System (ADS)

    Gubar, Yu. I.

    2015-11-01

    A radial profile of the plasma mass distribution in Jupiter's magnetosphere in the region beyond Io's orbit up to ˜15 Jupiter radii R J constructed according to the results of measurements on the Voyager 1 and Galileo spacecraft is used to determine the radial dependence and radial diffusion coefficient D LL . The initial profile is approximated by a function decreasing as L -5 ± 1. For this radial mass distribution, radial ion diffusion outside of Io's orbit caused by centrifugal forces is possible. An estimate of (1.2-6.7)10-11 L 6 ± 1 for D LL was obtained.

  3. Impurity Diffusion Coefficients of Al and Zn in Mg Determined from Solid-to-Solid Diffusion Couples

    SciTech Connect

    Kammerer, Catherine; Kulkarni, Nagraj S; Warmack, Robert J Bruce; Perry, Kelly A; Belova, Irina; Murch, Prof. Graeme; Sohn, Yong Ho

    2013-08-01

    Increasing use and development of lightweight Mgalloys have led to the desire for more fundamental research in and understanding of Mg-based systems. As property enhancing components, Al and Zn are two of the most important and common alloying elements for Mg-alloys. We have investigated the concentration dependent interdiffusion of Al and Zn in Mg using diffusion couples of pure polycrystalline Mg mated to Mg solid solutions containing either <9 at.% Al or <3 at.% Zn. Concentration profiles were determined by electron micro-probe microanalysis of the diffusion zone. The interdiffusion coefficients were determined by the classical Boltzmann-Matano method within the Mg solid solution. As the concentration of Al or Zn approaches the dilute ends, we employ an analytical approach based on the Hall method to estimate the impurity diffusion coefficients. Results of Al and Zn impurity diffusion in Mg are reported and compared to published impurity diffusion coefficients typically determined by thin film techniques.

  4. Nonlinearity Effects of Lateral Density Diffusion Coefficient on Gain-Guided VCSEL Performance

    NASA Technical Reports Server (NTRS)

    Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.; Biegel, Bryan (Technical Monitor)

    2001-01-01

    Electron and hole diffusions in the plane of semiconductor quantum wells play an important part in the static and dynamic operations of semiconductor lasers. In this paper, we apply a hydrodynamic model developed from the semiconductor Bloch equations to numerically study the effects of nonlinearity in the diffusion coefficient on single mode operation and direct modulation of a gain-guided InGaAs/GaAs multiple quantum well laser, operating not too far from threshold. We found that a small diffusion coefficient is advantageous for lowering the threshold current and increasing the modulation bandwidth. Most importantly, the effects of nonlinearity in the coefficient can be approximately reproduced by replacing the coefficient with an effective constant diffusion coefficient, which corresponds roughly to the half height density of the density distribution.

  5. Migration of particles on heterogeneous bivariate lattices: The universal analytical expressions for the diffusion coefficients

    NASA Astrophysics Data System (ADS)

    Tarasenko, Alexander; Bohá?, Petr; Jastrabík, Lubomír

    2015-11-01

    We have derived the analytical expressions for the diffusion coefficients describing the particle diffusion on different heterogeneous lattices. It occurs that these expressions can be used for description of the particle diffusion on the patchwise lattices. The coverage dependencies of the center-of-mass and Fickian diffusion coefficients obtained for some patchwise lattices by the Monte Carlo simulation can be perfectly fitted by these expressions. The good coincidence of the numerical data with the theoretical results demonstrates the applicability of the analytical expressions for the wide class of heterogeneous lattices.

  6. Determination of the diffusion coefficient between corn syrup and distilled water using a digital camera

    NASA Astrophysics Data System (ADS)

    Ray, E.; Bunton, P.; Pojman, J. A.

    2007-10-01

    A simple technique for determining the diffusion coefficient between two miscible liquids is presented based on observing concentration-dependent ultraviolet-excited fluorescence using a digital camera. The ultraviolet-excited visible fluorescence of corn syrup is proportional to the concentration of the syrup. The variation of fluorescence with distance from the transition zone between the fluids is fit by the Fick's law solution to the diffusion equation. By monitoring the concentration at successive times, the diffusion coefficient can be determined in otherwise transparent materials. The technique is quantitative and makes measurement of diffusion accessible in the advanced undergraduate physics laboratory.

  7. Irregular parameter dependence of generalized diffusion coefficients based on large deviation statistical analysis.

    PubMed

    Yoshida, Masaomi; Miyazaki, Syuji; Fujisaka, Hirokazu

    2006-08-01

    The nonperturbative non-Gaussian characteristics of diffusive motion are examined in the framework of the large deviation statistical theory, where simple extended mapping models showing chaotic diffusion are taken as an example. Furthermore, by rigorously solving the large deviation statistical quantities, it is found that the same type of anomalous, complex control parameter dependence as that for the diffusion coefficient reported by Klages and Dorfman is also observed in the large deviation statistical quantities such as the weighted average, the generalized diffusion coefficient, and the generalized power spectrum densities. PMID:17025522

  8. Irregular parameter dependence of generalized diffusion coefficients based on large deviation statistical analysis

    NASA Astrophysics Data System (ADS)

    Yoshida, Masaomi; Miyazaki, Syuji; Fujisaka, Hirokazu

    2006-08-01

    The nonperturbative non-Gaussian characteristics of diffusive motion are examined in the framework of the large deviation statistical theory, where simple extended mapping models showing chaotic diffusion are taken as an example. Furthermore, by rigorously solving the large deviation statistical quantities, it is found that the same type of anomalous, complex control parameter dependence as that for the diffusion coefficient reported by Klages and Dorfman is also observed in the large deviation statistical quantities such as the weighted average, the generalized diffusion coefficient, and the generalized power spectrum densities.

  9. Determination of pollutant diffusion coefficients in naturally formed biofilms using a single tube extractive membrane bioreactor

    SciTech Connect

    Zhang, S.F.; Splendiani, A.; Freitas dos Santos, L.M.; Livingston, A.G.

    1998-07-05

    A novel technique has been used to determine the effective diffusion coefficients for 1,1,2-trichloroethane (TCE), a nonreacting tracer, in biofilms growing on the external surface of a silicone rubber membrane tube during degradation of 1,2-dichloroethane (DCE) by Xanthobacter autotrophicus GJ10 and monochlorobenzene (MCB) by Pseudomonas JS150. Experiments were carried out in a single tube extractive membrane bioreactor (STEMB), whose configuration makes it possible to measure the transmembrane flux of substrates. A video imaging technique (VIT) was employed for in situ biofilm thickness measurement and recording. Diffusion coefficients of TCE in the biofilms and TCE mass transfer coefficients in the liquid films adjacent to the biofilms were determined simultaneously using a resistances-in-series diffusion model. It was found that the flux and overall mass transfer coefficient of TCE decrease with increasing biofilm thickness, showing the importance of biofilm diffusion on the mass transfer process. Similar fluxes were observed for the nonreacting tracer (TCE) and the reactive substrates (MCB or DCE), suggesting that membrane-attached biofilm systems can be rate controlled primarily by substrate diffusion. The TCE diffusion coefficient in the JS150 biofilm appeared to be dependent on biofilm thickness, decreasing markedly for biofilm thicknesses of >1 mm. The values of the TCE diffusion coefficients in the JS150 biofilms <1-mm thick are approximately twice those in water and fall to around 30% of the water value for biofilms >1-mm thick.

  10. Confinement, Desolvation, And Electrosorption Effects on the Diffusion of Ions in Nanoporous Carbon Electrodes

    PubMed Central

    2015-01-01

    Supercapacitors are electrochemical devices which store energy by ion adsorption on the surface of a porous carbon. They are characterized by high power delivery. The use of nanoporous carbon to increase their energy density should not hinder their fast charging. However, the mechanisms for ion transport inside electrified nanopores remain largely unknown. Here we show that the diffusion is characterized by a hierarchy of time scales arising from ion confinement, solvation, and electrosorption effects. By combining electrochemistry experiments with molecular dynamics simulations, we determine the in-pore conductivities and diffusion coefficients and their variations with the applied potential. We show that the diffusion of the ions is slower by 1 order of magnitude compared to the bulk electrolyte. The desolvation of the ions occurs on much faster time scales than electrosorption. PMID:26369420

  11. Some exact results for the diffusion coefficients of maps with pruning cycles

    NASA Astrophysics Data System (ADS)

    Tseng, Hsen-Chen; Chen, Hung-Jung; Li, Ping-Cheng; Lai, Wuu-Yih; Chou, Chien Ho; Chen, Hung-Wei

    1994-11-01

    For a family of piecewise linear maps, we consider several interesting cases in which the symbolic dynamics is described in terms of a restricted grammar. However, their diffusion coefficients can be determined analytically through appropriate cycle expansions.

  12. Measurement of molecular diffusion coefficients in supercritical carbon dioxide using a coated capillary column

    SciTech Connect

    Lai, C.C.; Tan, C.S. . Dept. of Chemical Engineering)

    1995-02-01

    Molecular diffusion coefficients of ethyl acetate, toluene, phenol, and caffeine in supercritical carbon dioxide were measured by a chromatographic peak broadening technique in a coated capillary column at temperatures of 308, 318, and 328 K and pressures up to 145 bar. A linear adsorption in the polymer layer coated on the inner wall of the capillary column was observed. The experimentally determined diffusion coefficients showed substantial agreement with those reported in the literature. The diffusion coefficients were in the order of 10[sup [minus]4] cm[sup 2]/s and decreased with increasing carbon dioxide density. Based on the molecular diffusion coefficient data reported here and those published elsewhere, an empirically modified Wilke-Chang equation was proposed which was found to be more quantitative than some existing equations such as the Stokes-Einstein and Wilke-Chang equations.

  13. Numerical results using the conforming VEM for the convection-diffusion-reaction equation with variable coefficients.

    SciTech Connect

    Manzini, Gianmarco; Cangiani, Andrea; Sutton, Oliver

    2014-10-02

    This document presents the results of a set of preliminary numerical experiments using several possible conforming virtual element approximations of the convection-reaction-diffusion equation with variable coefficients.

  14. On the determinatino of high-pressure mass-diffusion coefficients for binary mixtures

    NASA Technical Reports Server (NTRS)

    Bellan, J.; Harstad, K.

    2003-01-01

    A model for high-pressure binary diffusion coefficient calculation is proposed based on considerations originating from recasting both the low pressure kinetic theory and the Stokes-Einstein infinite dilution expressions into forms consistent with corresponding states theory.

  15. Effect of particle size on the diffuse reflection coefficient of titanium dioxide powder

    NASA Astrophysics Data System (ADS)

    Vlasov, V. A.; Astafyev, A. L.; Zarubin, A. N.

    2015-04-01

    In the present work a model of light scattering is shown which explains the result about effect of particle size on the diffuse reflection coefficient of initial titanium dioxide powders. The diffuse reflection coefficient depending on particle size for TiO2 pigment varies on the curve with maximum. The experimental results and the model can be used for technology development of manufacturing pigment for light-reflecting temperature-control coatings of spacecraft

  16. Infinite dilution diffusion coefficients of several aromatic hydrocarbons in octane and 2,2,4-trimethylpentane

    SciTech Connect

    Fan, Y.; Qian, R.; Shi, M.; Shi, J.

    1995-09-01

    Diffusion coefficient measurements are required in a number of engineering applications and also in testing transport property theories. The diffusion coefficients of benzene, toluene, p-xylene, o-xylene, ethylbenzene, and mesitylene at infinite dilution in octane and in 2,2,4-trimethylpentane in the temperature range 303.2--333.2 K were determined by the Taylor dispersion technique. A correlation based on a free-volume-type expression represented the results to within experimental uncertainty.

  17. FITTING OF THE DATA FOR DIFFUSION COEFFICIENTS IN UNSATURATED POROUS MEDIA

    SciTech Connect

    B. Bullard

    1999-05-01

    The purpose of this calculation is to evaluate diffusion coefficients in unsaturated porous media for use in the TSPA-VA analyses. Using experimental data, regression techniques were used to curve fit the diffusion coefficient in unsaturated porous media as a function of volumetric water content. This calculation substantiates the model fit used in Total System Performance Assessment-1995 An Evaluation of the Potential Yucca Mountain Repository (TSPA-1995), Section 6.5.4.

  18. Diffusion Coefficients in a Lamellar Lyotropic Phase: Evidence for Defects Connecting the Surfactant Structure

    E-print Network

    Doru Constantin; Patrick Oswald

    2015-04-09

    We measure diffusion coefficients in the lamellar phase of the nonionic binary system C$_{12}$EO$_6$/H$_2$O using fluorescence recovery after photobleaching. The diffusion coefficient across the lamellae shows an abrupt increase upon approaching the lamellar-isotropic phase transition. We interpret this feature in terms of defects connecting the surfactant structure. An estimation of the defect density and of the variation in defect energy close to the transition is given in terms of a simple model.

  19. Measurement of CO2 diffusivity in synthetic and saline aquifer solutions at reservoir conditions: the role of ion interactions

    NASA Astrophysics Data System (ADS)

    Jafari Raad, Seyed Mostafa; Azin, Reza; Osfouri, Shahriar

    2015-11-01

    Storage and disposal of CO2 as the main component of greenhouse gases in saline aquifers require careful measurement of diffusivity for predicting rate of transfer and cumulative amount of trapped gas. Little information is available on diffusion of CO2 in highly concentrated saline aquifers at reservoir conditions. In this study, diffusivity of CO2 was measured into different solutions, including saline aquifer taken from oil field, distilled water and synthetic solutions prepared from four most common ions, Mg2+, Ca2+, K+, Na+. The roles of salvation effect and hydration phenomenon were studied on diffusivity of dissolved CO2. Synthetic solutions were prepared at concentration ranges of 83-200 g/l. Experimental measurements were reported at temperature and pressure ranges of 30-40 °C and 5,880-6,265 kPa, respectively. Results show that both type and concentration of ion affect CO2 diffusivity. Diffusion coefficient was found dependent on effective radius of hydrated ions. Also, CO2 diffusivity increase by increasing strength of bonds between ion and neighbor water molecules. Also, presence of ions in water solution creates hydration competition between solution metal ions and aqua ions from diffusive gas. The Mg2+ cation, which has strongest hydration competition among other ions, has an increasing effect on gas diffusivity into saline aquifer. However, increasing ion concentration in solution decreases diffusivity of CO2 due to growth in fraction of contact ion pairs. Results of this study provide unique measures of CO2 diffusion coefficient in saline aquifer at high pressure and temperature conditions and conceptual information about effect of each common saline formation ion on gas diffusivity.

  20. Investigation of the Variation of Measured Particle Diffusion Coefficient

    E-print Network

    University Support Inserted Support Withdrawn Superconducting Dipole Magnet Glow from Plasma !(pV") = 0 (with where: p V and n V -1 . 5 2 m Inductive Charging Levitation Coil 2.45 GHz 6.4 GHz 1 m FIG. 1 of the plasma density profile with a levitated dipole in LDX determine the radial particle diffusivity, provided

  1. Imaging cell size and permeability in biological tissue using the diffusion-time dependence of the apparent diffusion coefficient

    NASA Astrophysics Data System (ADS)

    Dietrich, Olaf; Hubert, Alexander; Heiland, Sabine

    2014-06-01

    The purpose of this study was to analyze and evaluate a model of restricted water diffusion between equidistant permeable membranes for cell-size and permeability measurements in biological tissue. Based on the known probability distribution of diffusion distances after the diffusion time ? in a system of permeable membranes characterized by three parameters (membrane permeability P, membrane distance L, and free diffusivity D0), an equivalent dimensionless model was derived with a probability distribution characterized by only a single (dimensionless) tissue parameter \\tilde{P}. Evaluating this proposed model function, the dimensionless diffusion coefficient \\tilde{D}_{eff}(\\tilde{\\tau };\\,\\tilde{P}) was numerically calculated for 60 values of the dimensionless diffusion time \\tilde{\\tau } and 35 values of \\tilde{P}. Diffusion coefficients were measured in a carrot by diffusion-weighted magnetic resonance imaging (MRI) at 18 diffusion times between 9.9 and 1022.7 ms and fitted to the simulation results \\tilde{D}_{eff}(\\tilde{\\tau };\\,\\tilde{P}) to determine L, P, and D0. The measured diffusivities followed the simulated dependence of \\tilde{D}_{eff}(\\tilde{\\tau };\\tilde{P}). Determined cell sizes varied from 21 to 76 ?m, permeabilities from 0.007 to 0.039 ?m-1, and the free diffusivities from 1354 to 1713 ?m2?s-1. In conclusion, the proposed dimensionless tissue model can be used to determine tissue parameters (D0, L, P) based on diffusion MRI with multiple diffusion times. Measurements in a carrot showed a good agreement of the cell diameter, L, determined by diffusion MRI and by light microscopy.

  2. Effective Diffusion Coefficients for Methanol in Sulfuric Acid Solutions Measured by Raman Spectroscopy

    E-print Network

    Effective Diffusion Coefficients for Methanol in Sulfuric Acid Solutions Measured by Raman % sulfuric acid solutions was followed using Raman spectroscopy. Because methanol reacts to form protonated that the speciation of both methanol and sulfuric acid may be important in determining these transport coefficients

  3. First principles calculations of alloying element diffusion coefficients in Ni using the five-frequency model

    NASA Astrophysics Data System (ADS)

    Wu, Qiong; Li, Shu-Suo; Ma, Yue; Gong, Sheng-Kai

    2012-10-01

    The diffusion coefficients of several alloying elements (Al, Mo, Co, Ta, Ru, W, Cr, Re) in Ni are directly calculated using the five-frequency model and the first principles density functional theory. The correlation factors provided by the five-frequency model are explicitly calculated. The calculated diffusion coefficients show their excellent agreement with the available experimental data. Both the diffusion pre-factor (D0) and the activation energy (Q) of impurity diffusion are obtained. The diffusion coefficients above 700 K are sorted in the following order: DAl > DCr > DCo > DTa > DMo > DRu > DW > DRe. It is found that there is a positive correlation between the atomic radius of the solute and the jump energy of Ni that results in the rotation of the solute-vacancy pair (E1). The value of E2-E1 (E2 is the solute diffusion energy) and the correlation factor each also show a positive correlation. The larger atoms in the same series have lower diffusion activation energies and faster diffusion coefficients.

  4. An alternative model for estimating liquid diffusion coefficients requiring no viscosity data

    NASA Technical Reports Server (NTRS)

    Morales, Wilfredo

    1993-01-01

    An equation, based on the free volume of a liquid solvent, was derived via dimensional analysis, to predict binary diffusion coefficients. The equation assumed that interaction between the solute and liquid solvent molecules followed a Lennard-Jones potential. The equation was compared to other diffusivity equations and was found to give good results over the temperature range examined.

  5. Evaluation of Fourier Transform Coefficients for The Diagnosis of Rheumatoid Arthritis From Diffuse Optical Tomography Images

    E-print Network

    Hielscher, Andreas

    Evaluation of Fourier Transform Coefficients for The Diagnosis of Rheumatoid Arthritis From Diffuse: Diffuse Optical Tomography, Computer-Aided Diagnosis, Rheumatoid Arthritis 1. INTRODUCTION Rheumatoid arthritis (RA) is an autoimmune disorder that affects 0.5-1.0% of adults in industrialized countries

  6. Ischemic lesion volume determination on diffusion weighted images vs. apparent diffusion coefficient maps.

    PubMed

    Bråtane, Bernt Tore; Bastan, Birgul; Fisher, Marc; Bouley, James; Henninger, Nils

    2009-07-01

    Though diffusion weighted imaging (DWI) is frequently used for identifying the ischemic lesion in focal cerebral ischemia, the understanding of spatiotemporal evolution patterns observed with different analysis methods remains imprecise. DWI and calculated apparent diffusion coefficient (ADC) maps were serially obtained in rat stroke models (MCAO): permanent, 90 min, and 180 min temporary MCAO. Lesion volumes were analyzed in a blinded and randomized manner by 2 investigators using (i) a previously validated ADC threshold, (ii) visual determination of hypointense regions on ADC maps, and (iii) visual determination of hyperintense regions on DWI. Lesion volumes were correlated with 24 hour 2,3,5-triphenyltetrazoliumchloride (TTC)-derived infarct volumes. TTC-derived infarct volumes were not significantly different from the ADC and DWI-derived lesion volumes at the last imaging time points except for significantly smaller DWI lesions in the pMCAO model (p=0.02). Volumetric calculation based on TTC-derived infarct also correlated significantly stronger to volumetric calculation based on last imaging time point derived lesions on ADC maps than DWI (p<0.05). Following reperfusion, lesion volumes on the ADC maps significantly reduced but no change was observed on DWI. Visually determined lesion volumes on ADC maps and DWI by both investigators correlated significantly with threshold-derived lesion volumes on ADC maps with the former method demonstrating a stronger correlation. There was also a better interrater agreement for ADC map analysis than for DWI analysis. Ischemic lesion determination by ADC was more accurate in final infarct prediction, rater independent, and provided exclusive information on ischemic lesion reversibility. PMID:19427841

  7. NITRIC ACID-AIR DIFFUSION COEFFICIENT: EXPERIMENTAL DETERMINATION

    EPA Science Inventory

    Trace gaseous HNO3 in air is removed in a laminar flow nylon tube. The HNO3 deposition pattern was obtained by sectioning the tube, extracting with an aqueous solution, and measuring the concentration by ion chromatography. Mass transport analysis of the deposition pattern demons...

  8. Diffusion and Coulomb separation of ions in dense matter.

    PubMed

    Beznogov, M V; Yakovlev, D G

    2013-10-18

    We analyze diffusion equations in strongly coupled Coulomb mixtures of ions in dense stellar matter. Strong coupling of ions in the presence of gravitational forces and electric fields (induced by plasma polarization in the presence of gravity) produces a specific diffusion current which can separate ions with the same A/Z (mass to charge number) ratios but different Z. This Coulomb separation of ions can be important for the evolution of white dwarfs and neutron stars. PMID:24182248

  9. Entropy-scaling laws for diffusion coefficients in liquid metals under high pressures

    NASA Astrophysics Data System (ADS)

    Cao, Qi-Long; Shao, Ju-Xiang; Wang, Pan-Pan; Wang, Fan-Hou

    2015-04-01

    Molecular dynamic simulations on the liquid copper and tungsten are used to investigate the empirical entropy-scaling laws D*=A exp(B Se x) , proposed independently by Rosenfeld and Dzugutov for diffusion coefficient, under high pressure conditions. We show that the scaling laws hold rather well for them under high pressure conditions. Furthermore, both the original diffusion coefficients and the reduced diffusion coefficients exhibit an Arrhenius relationship DM=DM0 exp(-EM/KBT ) , ( M =u n ,R ,D ) and the activation energy EM increases with increasing pressure, the diffusion pre-exponential factors ( DR0 and DD0 ) are nearly independent of the pressure and element. The pair correlation entropy, S2, depends linearly on the reciprocal temperature S2=-ES/T , and the activation energy, ES, increases with increasing pressure. In particular, the ratios of the activation energies (Eun, ER, and ED) obtained from diffusion coefficients to the activation energy, ES, obtained from the entropy keep constants in the whole pressure range. Therefore, the entropy-scaling laws for the diffusion coefficients and the Arrhenius law are linked via the temperature dependence of entropy.

  10. Entropy-scaling laws for diffusion coefficients in liquid metals under high pressures

    SciTech Connect

    Cao, Qi-Long Shao, Ju-Xiang; Wang, Fan-Hou; Wang, Pan-Pan

    2015-04-07

    Molecular dynamic simulations on the liquid copper and tungsten are used to investigate the empirical entropy-scaling laws D{sup *}=A?exp(BS{sub ex}), proposed independently by Rosenfeld and Dzugutov for diffusion coefficient, under high pressure conditions. We show that the scaling laws hold rather well for them under high pressure conditions. Furthermore, both the original diffusion coefficients and the reduced diffusion coefficients exhibit an Arrhenius relationship D{sub M}=D{sub M}{sup 0}?exp(?E{sub M}/K{sub B}T), (M=un,R,D) and the activation energy E{sub M} increases with increasing pressure, the diffusion pre-exponential factors (D{sub R}{sup 0} and D{sub D}{sup 0}) are nearly independent of the pressure and element. The pair correlation entropy, S{sub 2}, depends linearly on the reciprocal temperature S{sub 2}=?E{sub S}/T, and the activation energy, E{sub S}, increases with increasing pressure. In particular, the ratios of the activation energies (E{sub un}, E{sub R}, and E{sub D}) obtained from diffusion coefficients to the activation energy, E{sub S}, obtained from the entropy keep constants in the whole pressure range. Therefore, the entropy-scaling laws for the diffusion coefficients and the Arrhenius law are linked via the temperature dependence of entropy.

  11. Quantifying radial diffusion coefficients of radiation belt electrons based on global MHD simulation and spacecraft measurements

    NASA Astrophysics Data System (ADS)

    Tu, Weichao; Elkington, Scot R.; Li, Xinlin; Liu, Wenlong; Bonnell, J.

    2012-10-01

    Radial diffusion is one of the most important acceleration mechanisms for radiation belt electrons, which can be enhanced from drift-resonant interactions with large-scale fluctuations of the magnetosphere's magnetic and electric fields (Pc5 range of ULF waves). In order to physically quantify the radial diffusion coefficient, DLL, we run the global Lyon-Fedder-Mobarry (LFM) MHD simulations to obtain the mode structure and power spectrum of the ULF waves and validate the simulation results with available satellite measurements. The calculated diffusion coefficients, directly from the MHD fields over a Corotating Interaction Region (CIR) storm in March 2008, are generally higher when solar wind dynamic pressure is enhanced or AE index is high. In contrary to the conventional understanding, our results show that inside geosynchronous orbit the total diffusion coefficient from MHD fields is dominated by the contribution from electric field perturbations, rather than the magnetic field perturbations. The calculated diffusion coefficient has a physical dependence on ? (or electron energy) and L, which is missing in the empirical diffusion coefficient, DLLKp as a function of Kp index, and DLLKp are generally greater than our calculated DLL during the storm event. Validation of the MHD ULF waves by spacecraft field data shows that for this event the LFM code reasonably well-reproduces the Bz wave power observed by GOES and THEMIS satellites, while the E? power observed by THEMIS probes are generally underestimated by LFM fields, on average by about a factor of ten.

  12. [Measurement of diffusion coefficients of polar solvent and nonpolar solvent at infinite dilution in polyethylene].

    PubMed

    Bian, Yu; Li, Ji-Ding; Chen, Cui-Xian; Lü, Shao-Hua; Zhang, Shu-Hua

    2002-09-01

    Gas chromatography is a new, fast, accurate and convenient technique to study the correlation of small molecule solvents and polymer membrane materials. It can measure many parameters of dissolution and diffusing characters of a small molecule in a polymer. The retention times and the peak widths at half-height of five small molecule solvents (n-hexane, n-heptane, n-decane, ethanol and water) in the stationary phase of polyethylene were measured. The diffusion coefficients of the small molecule solvents at infinite dilution were calculated with van Deemter equation. The graph plotted according to the results of the diffusion coefficients of n-decane at infinite dilution vs temperatures agreed with the Arrhenius equation. The variance in the diffusion coefficients at infinite dilution of five small molecule solvents was analyzed according to the differences in molecular mass and polarity. PMID:16358690

  13. Eddy diffusion coefficients and their upper limits based on application of the similarity theory

    NASA Astrophysics Data System (ADS)

    Vlasov, M. N.; Kelley, M. C.

    2015-07-01

    The equation for the diffusion velocity in the mesosphere and the lower thermosphere (MLT) includes the terms for molecular and eddy diffusion. These terms are very similar. For the first time, we show that, by using the similarity theory, the same formula can be obtained for the eddy diffusion coefficient as the commonly used formula derived by Weinstock (1981). The latter was obtained by taking, as a basis, the integral function for diffusion derived by Taylor (1921) and the three-dimensional Kolmogorov kinetic energy spectrum. The exact identity of both formulas means that the eddy diffusion and heat transport coefficients used in the equations, both for diffusion and thermal conductivity, must meet a criterion that restricts the outer eddy scale to being much less than the scale height of the atmosphere. This requirement is the same as the requirement that the free path of molecules must be much smaller than the scale height of the atmosphere. A further result of this criterion is that the eddy diffusion coefficients Ked, inferred from measurements of energy dissipation rates, cannot exceed the maximum value of 3.2 × 106 cm2 s-1 for the maximum value of the energy dissipation rate of 2 W kg-1 measured in the mesosphere and the lower thermosphere (MLT). This means that eddy diffusion coefficients larger than the maximum value correspond to eddies with outer scales so large that it is impossible to use these coefficients in eddy diffusion and eddy heat transport equations. The application of this criterion to the different experimental data shows that some reported eddy diffusion coefficients do not meet this criterion. For example, the large values of these coefficients (1 × 107 cm2 s-1) estimated in the Turbulent Oxygen Mixing Experiment (TOMEX) do not correspond to this criterion. The Ked values inferred at high latitudes by Lübken (1997) meet this criterion for summer and winter polar data, but the Ked values for summer at low latitudes are larger than the Ked maximum value corresponding to the criterion. Analysis of the experimental data on meteor train observations shows that energy dissipation with a small rate of about 0.2 W kg-1 sometimes can induce turbulence with eddy scales very close to the scale height of the atmosphere. Our results also explain the discrepancy between the large cooling rates calculated by Vlasov and Kelley (2014) and the temperatures given by the MSIS-E-90 model because, in these cases, the measured eddy diffusion coefficients used in calculating the cooling rates are larger than the maximum value presented above.

  14. Effects of molecular weight on the diffusion coefficient of aquatic dissolved organic matter and humic substances.

    PubMed

    Balch, J; Guéguen, C

    2015-01-01

    In situ measurements of labile metal species using diffusive gradients in thin films (DGT) passive samplers are based on the diffusion rates of individual species. Although most studies have dealt with chemically isolated humic substances, the diffusion of dissolved organic matter (DOM) across the hydrogel is not well understood. In this study, the diffusion coefficient (D) and molecular weight (MW) of 11 aquatic DOM and 4 humic substances (HS) were determined. Natural, unaltered aquatic DOM was capable of diffusing across the diffusive gel membrane with D values ranging from 2.48×10(-6) to 5.31×10(-6) cm(2) s(-1). Humic substances had diffusion coefficient values ranging from 3.48×10(-6) to 6.05×10(-6) cm(2) s(-1), congruent with previous studies. Molecular weight of aquatic DOM and HS samples (?500-1750 Da) measured using asymmetrical flow field-flow fractionation (AF4) strongly influenced D, with larger molecular weight DOM having lower D values. No noticeable changes in DOM size properties were observed during the diffusion process, suggesting that DOM remains intact following diffusion across the diffusive gel. The influence of molecular weight on DOM mobility will assist in further understanding and development of the DGT technique and the uptake and mobility of contaminants associated with DOM in aquatic environments. PMID:25112575

  15. Kinetic theory of point vortices: diffusion coefficient and systematic drift

    E-print Network

    P. H. Chavanis

    2001-07-11

    We develop a kinetic theory for point vortices in two-dimensional hydrodynamics. Using standard projection operator technics, we derive a Fokker-Planck equation describing the relaxation of a ``test'' vortex in a bath of ``field'' vortices at statistical equilibrium. The relaxation is due to the combined effect of a diffusion and a drift. The drift is shown to be responsible for the organization of point vortices at negative temperatures. A description that goes beyond the thermal bath approximation is attempted. A new kinetic equation is obtained which respects all conservation laws of the point vortex system and satisfies a H-theorem. Close to equilibrium this equation reduces to the ordinary Fokker-Planck equation.

  16. Experimental method development for estimating solid-phase diffusion coefficients and material/air partition coefficients of SVOCs

    NASA Astrophysics Data System (ADS)

    Liu, Xiaoyu; Guo, Zhishi; Roache, Nancy F.

    2014-06-01

    The solid-phase diffusion coefficient (Dm) and material/air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to estimate parameters Dm and Kma. The SVOCs chosen for study were polychlorinated biphenyl (PCB) congeners, including PCB-52, PCB-66, PCB-101, PCB-110, and PCB-118. The test materials included polypropylene, high density polyethylene, low density polyethylene, polytetrafluoroethylene, polyether ether ketone, glass, stainless steel and concrete. Two 53-L environmental chambers were connected in series, with the relatively stable SVOCs source in the source chamber and the test materials, made as small “buttons”, in the test chamber. Prior to loading the test chamber with the test materials, the test chamber had been dosed with SVOCs for 12 days to “coat” the chamber walls. During the tests, the material buttons were removed from the test chamber at different exposure times to determine the amount of SVOC absorbed by the buttons. SVOC concentrations at the inlet and outlet of the test chamber were also monitored. The data were used to estimate the partition and diffusion coefficients by fitting a sink model to the experimental data. The parameters obtained were employed to predict the accumulation of SVOCs in the sink materials using an existing mass transfer model. The model prediction agreed reasonably well with the experimental data.

  17. Development of measuring diffusion coefficients by digital holographic interferometry in transparent liquid mixtures.

    PubMed

    He, M G; Zhang, S; Zhang, Y; Peng, S G

    2015-05-01

    As for the measurement of diffusion coefficient in transparent liquids by digital holographic interferometry, there are many kinds depending on the mathematical model and experimental setup. The method of using the distance of the peaks in concentration difference profile to determine diffusion coefficient by Mach-Zehnder interferometric experimental setup, is easy to handle. In order to improve the accuracy and convenience of measurement in this method, we combine procedures of hologram analysis used by Mialdun et al (2011) and those by He et al (2009). By using polynomial to fit the continuous phase difference (interference phase) of object beam, it can be more convenient and accurate to determine the distance between the two peaks. Besides, the shift of initial time has been discussed as a separated topic at the first time and two functions for minimization have been given for determination of the initial time in this paper. With the development, diffusion coefficient of KCl in water at 0.33mol/L and 25 °C has been measured. The diffusion coefficient is 1.844 × 10(-9) m2/s with the uncertainty of ± 0.012 × 10(-9) m2/s. Our measurement has more similar result with other methods than holographic interferometry. The relative uncertainty of diffusion coefficient in our experiment is less than 1% and total uncertainty of temperature is within ± 0.04 K. PMID:25969184

  18. Sublimation kinetics and diffusion coefficients of TNT, PETN, and RDX in air by thermogravimetry.

    PubMed

    Hikal, Walid M; Weeks, Brandon L

    2014-07-01

    The diffusion coefficients of explosives are crucial in their trace detection and lifetime estimation. We report on the experimental values of diffusion coefficients of three of the most important explosives in both military and industry: TNT, PETN, and RDX. Thermogravimetric analysis (TGA) was used to determine the sublimation rates of TNT, PETN, and RDX powders in the form of cylindrical billets. The TGA was calibrated using ferrocene as a standard material of well-characterized sublimation rates and vapor pressures to determine the vapor pressures of TNT, PETN, and RDX. The determined sublimation rates and vapor pressures were used to indirectly determine the diffusion coefficients of TNT, PETN, and RDX for the first time. A linear log-log dependence of the diffusion coefficients on temperature is observed for the three materials. The diffusion coefficients of TNT, PETN, and RDX at 273 K were determined to be 5.76×10(-6)m(2)/sec, 4.94×10(-6)m(2)/s, and 5.89×10(-6)m(2)/s, respectively. Values are in excellent agreement with the theoretical values in literature. PMID:24840410

  19. Solvable Examples of Drift and Diffusion of Ions in Non-uniform Electric Fields

    SciTech Connect

    Cahn, Robert; Cahn, Robert N.; Jackson, John David

    2008-05-30

    The drift and diffusion of a cloud of ions in a fluid are distorted by an inhomogeneous electric field. If the electric field carries the center of the distribution in a straight line and the field configuration is suitably symmetric, the distortion can be calculated analytically. We examine the specific examples of fields with cylindrical and spherical symmetry in detail assuming the ion distributions to be of a generally Gaussian form. The effects of differing diffusion coefficients in the transverse and longitudinal directions are included.

  20. Safe positive temperature coefficient composite cathode for lithium ion battery

    NASA Astrophysics Data System (ADS)

    Zhong, Hai; Kong, Chan; Zhan, Hui; Zhan, Caimao; Zhou, Yunhong

    2012-10-01

    Ethylene vinyl acetate (EVA) based positive temperature coefficient (PTC) material with a transition temperature (Tc) of 90 °C is proposed and successfully fabricated in this study. It is further introduced into LiFePO4 cathode by directly mixing it with LiFePO4 powder, binder and conductive carbon or sandwiching it between the current collector and LiFePO4 electrode membrane. Thus obtained LiFePO4/PTC composite electrodes both show a self-current-limiting effect at 90 °C. The electrochemical properties of the LiFePO4/PTC composite electrodes are determined in terms of galvanostatic charging/discharging, cyclic voltammograms and electrochemical impedance spectroscopy measurements. Comparing with bare LiFePO4 electrode, both LiFePO4/PTC composite electrodes show no degradation in cycling stability, rate capability and electrochemical kinetic property at room temperature. The results indicate that the proposed LiFePO4/PTC composite electrode with the suitable Tc of 90 °C can effectively prevent thermal runaway before the occurrence of side reactions and better protect lithium ion battery during the abnormal temperature increasing.

  1. Electro-diffusion in a plasma with two ion species

    SciTech Connect

    Kagan, Grigory; Tang Xianzhu

    2012-08-15

    Electric field is a thermodynamic force that can drive collisional inter-ion-species transport in a multicomponent plasma. In an inertial confinement fusion capsule, such transport causes fuel ion separation even with a target initially prepared to have equal number densities for the two fuel ion species. Unlike the baro-diffusion driven by ion pressure gradient and the thermo-diffusion driven by ion and electron temperature gradients, electro-diffusion has a critical dependence on the charge-to-mass ratio of the ion species. Specifically, it is shown here that electro-diffusion vanishes if the ion species have the same charge-to-mass ratio. An explicit expression for the electro-diffusion ratio is obtained and used to investigate the relative importance of electro- and baro-diffusion mechanisms. In particular, it is found that electro-diffusion reinforces baro-diffusion in the deuterium and tritium mix, but tends to cancel it in the deuterium and helium-3 mix.

  2. Combined measurement of surface, grain boundary and lattice diffusion coefficients on olivine bi-crystals

    NASA Astrophysics Data System (ADS)

    Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

    2014-05-01

    Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA measurements. To evaluate the obtained diffusion profiles we adapted the isolated grain boundary model, first proposed by Fisher (1951) to match several observations: (i) Anisotropic diffusion in forsterite, (ii) fast diffusion along the grain boundary, (iii) fast diffusion on the surface of the sample. The latter process is needed to explain an additional flux of material from the surface into the grain boundary. Surface and grain boundary diffusion coefficients are on the order of 10000 times faster than diffusion in the lattice. Another observation was that in some regions the diffusion profiles in the lattice were greatly extended. TEM observations suggest here that surface defects (nano-cracks, ect.) have been present, which apparently enhanced the diffusion through the bulk lattice. Dohmen, R., & Milke, R. (2010). Diffusion in Polycrystalline Materials: Grain Boundaries, Mathematical Models, and Experimental Data. Reviews in Mineralogy and Geochemistry, 72(1), 921-970. Fisher, J. C. (1951). Calculations of Diffusion Penetration Curves for Surface and Grain Boundary Diffusion. Journal of Applied Physics, 22(1), 74-77. Le Claire, A. D. (1951). Grain boundary diffusion in metals. Philosophical Magazine A, 42(328), 468-474.

  3. On The Anomalous Fast Ion Energy Diffusion in Toroidal Plasmas Due to Cavity Modes

    SciTech Connect

    N.N. Gorelenkov, N.J. Fisch and E. Fredrickson

    2010-03-09

    An enormous wave-particle diffusion coefficient along paths suitable for alpha channeling had been deduced in mode converted ion Bernstein wave experiments on Tokamak Fusion Test Reactor (TFTR) the only plausible explanation advanced for such a large diffusion coefficient was the excitation of internal cavity modes which induce particle diffusion along identical diffusion paths, but at much higher rates. Although such a mode was conjectured, it was never observed. However, recent detailed observations of high frequency compressional Alfven eigenmodes (CAEs) on the National Spherical torus Experiment (NSTX) indirectly support the existence of the related conjectured modes on TFTR. The eigenmodes responsible for the high frequency magnetic activity can be identified as CAEs through the polarization of the observed magnetic field oscillations in NSTX and through a comparison with the theoretically derived freuency dispersion relation. Here, we show how these recent observations of high frequency CAEs lend support to this explanation of the long-standing puzzle of anomalous fast ion energy diffusion on TFTR. The support of the conjecure that these internal modes could have caused the remarkable ion energy diffusion on TFTR carries significant and favorable implications for the possibilities in achieving the alpha channeling effect with small injected power in a tokamak reactor.

  4. Electronic/ionic conductivity and oxygen diffusion coefficient of Sr-Fe-Co-O system

    SciTech Connect

    Ma, B.; Park, J.H.; Balachandran, U.; Segre, C.U.

    1995-03-01

    Oxides in the system Sr-Fe-Co-O exhibit both electronic and ionic conductivities. Recently, Sr-Fe-Co-O system attracted great attention because of the potential to be used for oxygen permeable membranes that can operate without the electrodes or external electrical circuitry. Electronic and ionic conductivities at various temperatures have been measured on two compositions in Sr-Fe-Co-O system named SFC-1 and SFC-2. The electronic transference number is much greater than the ionic transference number in SFC-1 sample, while the electronic and ionic transference numbers are very close in SFC-2 sample. At 800{degrees}C, the electronic conductivity and ionic conductivity are {approx}76 S{center_dot}cm-1 and =4 S-cm-1, respectively, for SFC-1. While, for SFC-2, the electronic and ionic conductivities are =10 S-cm-1 and {approx}7 S-cm-1, respectively. By a local fitting to {sigma}{center_dot}T = A exp(-E{sub {alpha}}/{kappa}{Tau}), we found that the oxide ion activation energies are 0.92 eV and 0.37 eV respectively for SFC-1 and SFC-2 samples. Oxygen diffusion coefficient of SFC-2 is {approx}{times}10{sup {minus}7} cm{sup 2}/sec at 900C.

  5. Field-Scale Effective Matrix Diffusion Coefficient for FracturedRock: Results From Literature Survey

    SciTech Connect

    Zhou, Quanlin; Liu, Hui Hai; Molz, Fred J.; Zhang, Yingqi; Bodvarsson, Gudmundur S.

    2005-03-28

    Matrix diffusion is an important mechanism for solutetransport in fractured rock. We recently conducted a literature survey onthe effective matrix diffusion coefficient, Dem, a key parameter fordescribing matrix diffusion processes at the field scale. Forty fieldtracer tests at 15 fractured geologic sites were surveyed and selectedfor study, based on data availability and quality. Field-scale Dem valueswere calculated, either directly using data reported in the literature orby reanalyzing the corresponding field tracer tests. Surveyed dataindicate that the effective-matrix-diffusion-coefficient factor FD(defined as the ratio of Dem to the lab-scale matrix diffusioncoefficient [Dem]of the same tracer) is generally larger than one,indicating that the effective matrix diffusion coefficient in the fieldis comparatively larger than the matrix diffusion coefficient at therock-core scale. This larger value could be attributed to the manymass-transfer processes at different scales in naturally heterogeneous,fractured rock systems. Furthermore, we observed a moderate trend towardsystematic increase in the emDFmDDF value with observation scale,indicating that the effective matrix diffusion coefficient is likely tobe statistically scale dependent. The FD value ranges from 1 to 10,000for observation scales from 5 to 2,000 m. At a given scale, the FD valuevaries by two orders of magnitude, reflecting the influence of differingdegrees of fractured rock heterogeneity at different sites. In addition,the surveyed data indicate that field-scale longitudinal dispersivitygenerally increases with observation scale, which is consistent withprevious studies. The scale-dependent field-scale matrix diffusioncoefficient (and dispersivity) may have significant implications forassessing long-term, large-scale radionuclide and contaminant transportevents in fractured rock, both for nuclear waste disposal and contaminantremediation.

  6. Approximation of effective moisture-diffusion coefficient to characterize performance of a barrier coating

    NASA Astrophysics Data System (ADS)

    Nagai, Shingo

    2013-11-01

    We report estimation of the effective diffusion coefficient of moisture through a barrier coating to develop an encapsulation technology for the thin-film electronics industry. This investigation targeted a silicon oxide (SiOx) film that was deposited on a plastic substrate by a large-process-area web coater. Using the finite difference method based on diffusion theory, our estimation of the effective diffusion coefficient of a SiOx film corresponded to that of bulk glass that was previously reported. This result suggested that the low diffusivities of barrier films can be obtained on a mass-production level in the factory. In this investigation, experimental observations and mathematical confirmation revealed the limit of the water vapor transmission rate on the single barrier coating.

  7. ICP-MS measurement of diffusion coefficients of Cs in NBG-18 graphite

    NASA Astrophysics Data System (ADS)

    Carter, L. M.; Brockman, J. D.; Robertson, J. D.; Loyalka, S. K.

    2015-11-01

    Graphite is used in the HGTR/VHTR as moderator and it also functions as a barrier to fission product release. Therefore, an elucidation of transport of fission products in reactor-grade graphite is required. We have measured diffusion coefficients of Cs in graphite NBG-18 using the release method, wherein we infused spheres of NBG-18 with Cs and measured the release rates in the temperature range of 1090-1395 K. We have obtained: These seem to be the first reported values of Cs diffusion coefficients in NBG-18. The values are lower than those reported for other graphites in the literature.

  8. Importance of diffuse metal ion binding to RNA.

    PubMed

    Tan, Zhi-Jie; Chen, Shi-Jie

    2011-01-01

    RNAs are highly charged polyanionic molecules. RNA structure and function are strongly correlated with the ionic condition of the solution. The primary focus of this article is on the role of diffusive ions in RNA folding. Due to the long-range nature of electrostatic interactions, the diffuse ions can contribute significantly to RNA structural stability and folding kinetics. We present an overview of the experimental findings as well as the theoretical developments on the diffuse ion effects in RNA folding. This review places heavy emphasis on the effect of magnesium ions. Magnesium ions play a highly efficient role in stabilizing RNA tertiary structures and promoting tertiary structural folding. The highly efficient role goes beyond the mean-field effect such as the ionic strength. In addition to the effects of specific ion binding and ion dehydration, ion-ion correlation for the diffuse ions can contribute to the efficient role of the multivalent ions such as the magnesium ions in RNA folding. PMID:22010269

  9. Non-Fermi liquid behavior of the drag and diffusion coefficients in QED plasma

    SciTech Connect

    Sarkar, Sreemoyee; Dutt-Mazumder, Abhee K.

    2011-11-01

    We calculate the drag and diffusion coefficients in low temperature QED plasma and go beyond the leading order approximation. The non-Fermi-liquid behavior of these coefficients are clearly revealed. We observe that the subleading contributions due to the exchange of soft transverse photon in both cases are larger than the leading order terms coming from the longitudinal sector. The results are presented in closed form at zero and low temperature.

  10. Simultaneous measurement of the Seebeck coefficient and thermal diffusivity for bulk thermoelectric materials

    NASA Astrophysics Data System (ADS)

    Homma, Ryoei; Hasegawa, Yasuhiro; Terakado, Hiroki; Morita, Hiroyuki; Komine, Takashi

    2015-02-01

    We simultaneously measured the Seebeck coefficient and thermal diffusivity of a rectangular parallelepiped bulk thermoelectric material. We used one-dimensional heat conduction equation to show that a periodic heat cycle produces not only the thermoelectromotive force but also a certain phase shift angle between the edge and intermediate points of a sample along the length of the material. Based on the equation of the modified Angström method, an experiment at 300 K was performed using NIST standard material (SRM 3451, Bi2Te3 material) to measure the Seebeck coefficient and thermal diffusivity. The measured Seebeck coefficient was -231 ± 3 µV/K, which corresponds to the published value. Using the same experimental setup as that for the thermal diffusivity measurement, the dependence of the phase shift angle on frequency was measured from 5 mHz to 10 Hz for the phase shift angle from -8.2 to -450°. The estimated thermal diffusivity was (1.53 ± 0.05) × 10-6 m2/s. We conclude that the modified Angström method can be used to measure the Seebeck coefficient and thermal diffusivity simultaneously.

  11. Field-scale effective matrix diffusion coefficient for fractured rock: Results from literature survey

    NASA Astrophysics Data System (ADS)

    Zhou, Quanlin; Liu, Hui-Hai; Molz, Fred J.; Zhang, Yingqi; Bodvarsson, Gudmundur S.

    2007-08-01

    Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, Dme, a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale Dme values were calculated, either directly using data reported in the literature, or by reanalyzing the corresponding field tracer tests. The reanalysis was conducted for the selected tracer tests using analytic or semi-analytic solutions for tracer transport in linear, radial, or interwell flow fields. Surveyed data show that the scale factor of the effective matrix diffusion coefficient (defined as the ratio of Dme to the lab-scale matrix diffusion coefficient, Dm, of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate, on average trend toward systematic increase in the scale factor with observation scale. This trend suggests that the effective matrix diffusion coefficient is likely to be statistically scale-dependent. The scale-factor value ranges from 0.5 to 884 for observation scales from 5 to 2000 m. At a given scale, the scale factor varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different geologic sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity) may have significant implications for assessing long-term, large-scale radionuclide and contaminant transport events in fractured rock, both for nuclear waste disposal and contaminant remediation.

  12. FIELD-SCALE EFFECTIVE MATRIX DIFFUSION COEFFICIENT FOR FRACTURED ROCK:RESULTS FROM LITERATURE SURVEY

    SciTech Connect

    Q. Zhou; Hui-Hai Liu; F.J. Molz; Y. Zhang; G.S. Bodvarsson

    2005-04-08

    Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, D{sub m}{sup e}, a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale D{sub m}{sup e} values were calculated, either directly using data reported in the literature or by reanalyzing the corresponding field tracer tests. Surveyed data indicate that the effective-matrix-diffusion-coefficient factor F{sub D} (defined as the ratio of D{sub m}{sup e} to the lab-scale matrix diffusion coefficient [D{sub m}] of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate trend toward systematic increase in the F{sub D} value with observation scale, indicating that the effective matrix diffusion coefficient is likely to be statistically scale dependent. The F{sub D} value ranges from 1 to 10,000 for observation scales from 5 to 2,000 m. At a given scale, the F{sub D} value varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity) may have significant implications for assessing long-term, large-scale radionuclide and contaminant transport events in fractured rock, both for nuclear waste disposal and contaminant remediation.

  13. Calculations of Li Ion Diffusion in Olivine Phosphates

    SciTech Connect

    Dathar, Gopi Krishna Phani; Sheppard, Daniel; Stevenson, Keith J.; Henkelman, Graeme

    2011-09-13

    Kinetic pathways of Li-ion diffusion in olivine phosphates are calculated from density functional theory (DFT). Previously reported theoretical diffusion rates for Li ions and vacancies in defect-free crystalline FePO? and LiFePO? are six orders of magnitude faster than experimentally measured values. This discrepancy can be resolved by considering the different components of Li kinetics, including diffusion in the bulk, on the surface, in the presence of defects, and in varying local environments. Using DFT+U, we quantify each of these effects and determine that, while bulk diffusion is affected by strain and Li concentration, these are not significant enough to explain the slow diffusion observed in experiment. However, surface diffusion is observed to have have high barriers, which could contribute to slow kinetics in nanostructured cathodes. Anti-site defects also provide a possible explanation for slow diffusion, but only for vacancy diffusion in LiFePO?, which has a barrier of 0.71 eV, compared to 0.29 eV in defect-free channels. In FePO?, a concerted Li-ion diffusion mechanism around the anti-site defect is found to have a low barrier of 0.35 eV, allowing for facile cross-channel diffusion at room temperature. The difference between Li-ion and vacancy diffusion is understood in terms of a favorable coordination between Li ions and localized electrons on Fe centers at the transition states for Li-ion hopping in FePO?. Greater distances between vacancies and holes at the transition states for vacancy diffusion lead to higher diffusion barriers.

  14. Effect of surface modification, microstructure, and trapping on hydrogen diffusion coefficients in high strength alloys

    NASA Astrophysics Data System (ADS)

    Jebaraj Johnley Muthuraj, Josiah

    Cathodic protection is widely used for corrosion prevention. However, this process generates hydrogen at the protected metal surface, and diffusion of hydrogen through the metal may cause hydrogen embrittlement or hydrogen induced stress corrosion cracking. Thus the choice of a metal for use as fasteners depends upon its hydrogen uptake, permeation, diffusivity and trapping. The diffusivity of hydrogen through four high strength alloys (AISI 4340, alloy 718, alloy 686, and alloy 59) was analyzed by an electrochemical method developed by Devanathan and Stachurski. The effect of plasma nitriding and microstructure on hydrogen permeation through AISI 4340 was studied on six different specimens: as-received (AR) AISI 4340, nitrided samples with and without compound layer, samples quenched and tempered (Q&T) at 320° and 520°C, and nitrided samples Q&T 520°C. Studies on various nitrided specimens demonstrate that both the gamma'-Fe 4N rich compound surface layer and the deeper N diffusion layer that forms during plasma nitriding reduce the effective hydrogen diffusion coefficient, although the gamma'-Fe4N rich compound layer has a larger effect. Multiple permeation transients yield evidence for the presence of only reversible trap sites in as-received, Q&T 320 and 520 AISI 4340 specimens, and the presence of both reversible and irreversible trap sites in nitrided specimens. Moreover, the changes in microstructure during the quenching and tempering process result in a significant decrease in the diffusion coefficient of hydrogen compared to as-received specimens. In addition, density functional theory-based molecular dynamics simulations yield hydrogen diffusion coefficients through gamma'- Fe4N one order of magnitude lower than through ?-Fe, which supports the experimental measurements of hydrogen permeation. The effect of microstructure and trapping was also studied in cold rolled, solutionized, and precipitation hardened Inconel 718 foils. The effective hydrogen diffusion coefficient is considerably higher for the solutionized Inconel 718 than for either the cold rolled or precipitation hardened specimens. Microstructural studies indicate that the reduced hydrogen diffusion coefficients in the latter specimens arise from hydrogen trapping at dislocations and precipitates that are present at much lower concentrations in the solutionized specimens. Repeated permeation transients provide evidence for irreversible hydrogen trapping in the cold rolled and precipitation hardened specimens, but such effects are insignificant in the solutionized specimens. The effect of trapping in determining the hydrogen diffusion coefficients was also studied in alloy 686 and 59 specimens. Microstructural studies indicate the presence of bcc-Mo rich inclusions concentrated along the grain boundaries in alloy 686 specimens, but randomly distributed in alloy 59 specimens. Multiple permeation transients show an increase in diffusion coefficient values for the decay transients compared to rise transients in alloy 686 specimens. On the other hand, the first rise transient had a lower diffusion coefficient compared to successive rise and decay transients in alloy 59 specimens. Effective diffusion coefficient (Deff) values of hydrogen in multiple permeation transients suggest that hydrogen trapping sites are predominantly reversible in alloy 686, but mixed reversible and irreversible in alloy 59.

  15. The diffusion properties of ion implanted species in selected target materials

    SciTech Connect

    Alton, G.D.; Dellwo, J.; Carter, H.K.; Kormicki, J.; Bartolo, G. di; Batchelder, J.C.; Breitenbach, J.; Chediak, J.A.; Jentoff-Nilsen, K.; Ichikawa, S.

    1995-02-01

    Experiments important to the future success of the Holifield Radioactive Ion Beam Facility (HRIBF) are in progress at the Oak Ridge National Laboratory which are designed to select the most appropriate target material for generating a particular radioactive ion beam (RIB). The 25-MV HHIRF tandem accelerator is used to implant stable complements of interesting radioactive elements into refractory targets mounted in a high-temperature FEBIAD ion source which is {open_quotes}on-line{close_quotes} at the UNISOR facility. The intensity versus time of implanted species, which diffuse from the high-temperature target material ({approximately}1700{degrees}C) and are ionized in the FEBIAD ion source, is used to determine release times for a particular projectile/target material combination. From such release data, diffusion coefficients can be derived by fitting the theoretical results obtained by computational solution of Fick`s second equation to experimental data. The diffusion coefficient can be used subsequently to predict the release properties of the particular element from the same material in other target geometries and at other temperatures, provided that the activation energy is also known. Diffusion coefficients for Cl implanted into and diffused from CeS and Zr{sub 5}Si{sub 3} and As, Br, and Se implanted into and diffused from Zr{sub 5}Ge{sub 3} have been derived from the resulting intensity versus time profiles. Brief descriptions of the experimental apparatus and procedures utilized in the present experiments and plans for future related experiments are presented.

  16. Magnetic diffusion and ion nonlinear dynamics in magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Zenitani, S.; Shinohara, I.; Nagai, T.; Wada, T.

    2013-12-01

    Magnetic reconnection is a fundamental process in many plasma systems, ranging from laboratory and solar-terrestrial environments to extreme astrophysical settings. The reconnection process is controlled by magnetic dissipation physics in a small-scale region near the reconnection point (X-line), and therefore the structure of the reconnection site is of strong interest. According to the standard picture of collisionless reconnection, the X-line is surrounded by a compact electron diffusion region and by an outer ion diffusion region. While the electron region has been extensively studied, much less is known about the ion region. In this work, we examine key aspects of the ion region in magnetic reconnection. First, we evaluate the ''diffusion'' of magnetic field lines, going back to the topology theorems. Unlike in the MHD, the idealness, the frozen-in, magnetic diffusion, and the energy dissiation can be all different in a kinetic plasma. We will apply these concepts to the reconnection site in two-dimensional particle-in-cell (PIC) simulations. Importantly, in the outer part of the ion region, even though the ion ideal condition is violated, the magnetic fields are frozen to plasma fluids. This raises a serious question to the widespread definition of the ion diffusion region, based on the ion nonidealness. We further examine the ion velocity distribution function in the same region. The distribution function contains multiple populations such as global Speiser ions, local Speiser ions, and trapped ions. The particle motion of the local Speiser ions in an appropriately rotated frame explains the plasma nonidealness. The trapped ions are the first demonstration of the regular orbits in Chen & Palmadesso (1986), in self-consistent PIC simulations. They would be observational signatures in the ion current layer near reconnection sites.

  17. Single-relaxation-time lattice Boltzmann scheme for advection-diffusion problems with large diffusion-coefficient heterogeneities and high-advection transport.

    PubMed

    Perko, Janez; Patel, Ravi A

    2014-05-01

    The paper presents an approach that extends the flexibility of the standard lattice Boltzmann single relaxation time scheme in terms of spatial variation of dissipative terms (e.g., diffusion coefficient) and stability for high Péclet mass transfer problems. Spatial variability of diffusion coefficient in SRT is typically accommodated through the variation of relaxation time during the collision step. This method is effective but cannot deal with large diffusion coefficient variations, which can span over several orders of magnitude in some natural systems. The approach explores an alternative way of dealing with large diffusion coefficient variations in advection-diffusion transport systems by introducing so-called diffusion velocity. The diffusion velocity is essentially an additional convective term that replaces variations in diffusion coefficients vis-à-vis a chosen reference diffusion coefficient which defines the simulation time step. Special attention is paid to the main idea behind the diffusion velocity formulation and its implementation into the lattice Boltzmann framework. Finally, the performance, stability, and accuracy of the diffusion velocity formulation are discussed via several advection-diffusion transport benchmark examples. These examples demonstrate improved stability and flexibility of the proposed scheme with marginal consequences on the numerical performance. PMID:25353916

  18. Drag and Diffusion coefficients in extreme scenarios of temperature and chemical potential

    E-print Network

    Sreemoyee Sarkar; Abhee K. Dutt-Mazumder

    2013-03-14

    A comparative study of high and zero temperature plasma for the case of damping rate, drag and diffusion coefficients have been presented. In each of these quantities, it is revealed how the magnetic interaction dominates over the electric one at zero temperature unlike what happens at high temperature.

  19. Scaling of the diffusion coefficient on the normal form remainder in doubly resonant domains

    E-print Network

    C. Efthymiopoulos

    2008-12-04

    An outline of theoretical estimates is given regarding the dependence of the value of the diffusion coefficient $D$ on the size $R$ of the remainder of the normal form in doubly or simply resonant domains of the action space of 3dof Hamiltonian systems.

  20. Relaxation Time Constants and Apparent Diffusion Coefficients of Rat Retina at 7 Tesla

    E-print Network

    Duong, Timothy Q.

    Relaxation Time Constants and Apparent Diffusion Coefficients of Rat Retina at 7 Tesla Govind Nair* and ADC of the rat eyes were measured at 50 3 50 3 800 lm at 7 Tesla. Profiles of T1, T2, T2* and ADC

  1. Estimation of Diffusion Coefficient of Lithium in Carbon Using AC Impedance Technique

    E-print Network

    fraction of inert material, and thickness of the porous carbon intercalation electrode, the solution phaseEstimation of Diffusion Coefficient of Lithium in Carbon Using AC Impedance Technique Qingzhi Guo. A macroscopic porous electrode model and concentrated electrolyte theory are used to simulate the synthetic

  2. Extending the Diffuse Layer Model of Surface Acidity Behavior: III. Estimating Bound Site Activity Coefficients

    EPA Science Inventory

    Although detailed thermodynamic analyses of the 2-pK diffuse layer surface complexation model generally specify bound site activity coefficients for the purpose of accounting for those non-ideal excess free energies contributing to bound site electrochemical potentials, in applic...

  3. Water diffusion coefficients during copper electropolishing and IAN IVAR SUNI2*

    E-print Network

    Suni, Ian Ivar

    Water diffusion coefficients during copper electropolishing BING DU1 and IAN IVAR SUNI2* 1, including several with ethanol and other species added as diluents. Diluents allow a wider range of water in the mass transfer limited regime are shown to depend on both the number of water acceptor molecules

  4. Calculation of effective diffusion coefficient in even approximations of the surface pseudo source method

    SciTech Connect

    Kovalishin, A. A. Laletin, N. I.

    2011-12-15

    The preference of even approximations of the surface pseudo source method for calculation of the diffusion coefficient is substantiated. The homogenization limit for the G{sub 0} approximation in the case of the cell size tending to zero is analytically proved.

  5. Measuring arbitrary diffusion coefficient distributions of nano-objects by taylor dispersion analysis.

    PubMed

    Cipelletti, Luca; Biron, Jean-Philippe; Martin, Michel; Cottet, Hervé

    2015-08-18

    Taylor dispersion analysis is an absolute and straightforward characterization method that allows determining the diffusion coefficient, or equivalently the hydrodynamic radius, from angstroms to submicron size range. In this work, we investigated the use of the Constrained Regularized Linear Inversion approach as a new data processing method to extract the probability density functions of the diffusion coefficient (or hydrodynamic radius) from experimental taylorgrams. This new approach can be applied to arbitrary polydisperse samples and gives access to the whole diffusion coefficient distributions, thereby significantly enhancing the potentiality of Taylor dispersion analysis. The method was successfully applied to both simulated and real experimental data for solutions of moderately polydisperse polymers and their binary and ternary mixtures. Distributions of diffusion coefficients obtained by this method were favorably compared with those derived from size exclusion chromatography. The influence of the noise of the simulated taylorgrams on the data processing is discussed. Finally, we discuss the ability of the method to correctly resolve bimodal distributions as a function of the relative separation between the two constituent species. PMID:26243023

  6. Transport diffusion coefficient for a Knudsen gas in a random tube

    E-print Network

    Francis Comets; Serguei Popov; Gunter M. Schütz; Marina Vachkovskaia

    2010-04-10

    We consider transport diffusion in a stochastic billiard in a random tube which is elongated in the direction of the first coordinate (the tube axis). Inside the random tube, which is stationary and ergodic, non-interacting particles move straight with constant speed. Upon hitting the tube walls, they are reflected randomly, according to the cosine law: the density of the outgoing direction is proportional to the cosine of the angle between this direction and the normal vector. Steady state transport is studied by introducing an open tube segment as follows: We cut out a large finite segment of the tube with segment boundaries perpendicular to the tube axis. Particles which leave this piece through the segment boundaries disappear from the system. Through stationary injection of particles at one boundary of the segment a steady state with non-vanishing stationary particle current is maintained. We prove (i) that in the thermodynamic limit of an infinite open piece the coarse-grained density profile inside the segment is linear, and (ii) that the transport diffusion coefficient obtained from the ratio of stationary current and effective boundary density gradient equals the diffusion coefficient of a tagged particle in an infinite tube. Thus we prove Fick's law and equality of transport diffusion and self-diffusion coefficients for quite generic rough (random) tubes.

  7. Diffusion behaviour of vanadium in GaN thin films studied by secondary ion mass spectrometry

    NASA Astrophysics Data System (ADS)

    Bchetnia, A.; Saidi, C.; Souissi, M.; Boufaden, T.; El Jani, B.

    2009-09-01

    A sandwiched multi-structure made of alternatively undoped and vanadium (V) doped GaN layers was grown on SiN-treated (0 0 0 1) sapphire substrates by atmospheric pressure metal organic chemical vapour deposition (AP-MOCVD). The V diffusion in GaN has been investigated in the temperature range of 1000-1100 °C by using secondary ion mass spectroscopy. The diffusion coefficients were obtained through a data-fitting program based on Fick's first law. The results suggest that V diffuses faster near the GaN/sapphire interface. During annealing, V redistributed by both in- and out-diffusion mechanisms. An activation energy of 2.9 ± 0.4 eV is estimated for V diffusion in GaN.

  8. Effect of computed horizontal diffusion coefficients on two-dimensional N2O model distributions

    NASA Technical Reports Server (NTRS)

    Jackman, Charles H.; Guthrie, Paul D.; Schoeberl, Mark R.; Newman, Paul A.

    1988-01-01

    The effects of horizontal diffusion coefficients K(yy) and K(yz), computed directly from the residual circulation, on the N2O distribution in a photochemical model were investigated, using a modified version of the two-dimensional model of Guthrie et al. (1984). The residual circulation was computed using the NMC's temperature data and the heating rates reported by Rosenfield et al. (1987). As compared with the effect of the residual circulation alone, the use of horizontal diffusion coefficients produced substantial changes in the N2O distribution and increased the N2O's lifetime values by a few percent. It is suggested that trace gases, such as CH4, CFCl3, CF2Cl2, CH3Cl, and CCl4, which impact the NO(x), HO(x), and Cl(x) radical distributions and therefore ozone, will be influenced in a similar manner by the addition of more realistic diffusion fields.

  9. Kinks in experimental diffusion profiles of a dissolving semi-crystalline polymer explained by a concentration-dependent diffusion coefficient.

    PubMed

    Hermes, Helen E; Sitta, Christoph E; Schillinger, Burkhard; Löwen, Hartmut; Egelhaaf, Stefan U

    2015-06-28

    The dissolution of polyethylene oxide (PEO) tablets in water has been followed in situ by neutron radiography. When in contact with water, the crystalline phase of semi-crystalline PEO melts once a certain water content is attained. Polymer concentration profiles obtained from the neutron transmission images exhibited a pronounced kink which corresponds to a sharp front in the images and which is related to the melting transition. Sharp diffusion fronts and phase transitions are often linked to non-Fickian behaviour. However, by considering the time evolution of the complete concentration profiles in detail it is shown that the dissolution process can be explained using Fickian diffusion equations with a concentration-dependent diffusion coefficient. PMID:26018995

  10. Fast-ion radial diffusivity evaluated from vertical neutral particle measurements following short pulse beam injection into a TFTR ohmic plasma

    SciTech Connect

    Kusama, Y.; Heidbrink, W.W.; Barnes, C.W.; Beer, M.; Hammett, G.W.; McCune, D.C.; Medley, S.S.; Scott, S.D.; Zarnstorff, M.C.

    1992-01-01

    The radial diffusivity of fast ions was evaluated from vertical neutral particle measurements in experiments where a short pulse of neutral deuterium beams was injected into a TFTR ohmic deuterium plasma. A comparison between the temporal evolution of the measured neutral particle flux and theoretical calculations showed that the spatially-averaged diffusion coefficient of fast ions is {le} 0.1 m{sup 2}/sec. This value is approximately an order of magnitude less than the diffusion coefficient for thermal ions and is consistent with results obtained previously on TFTR from other diagnostics.

  11. Bond lifetime and diffusion coefficient in colloids with short-range interactions.

    PubMed

    Ndong Mintsa, E; Germain, Ph; Amokrane, S

    2015-03-01

    We use molecular dynamics simulations to study the influence of short-range structures in the interaction potential between hard-sphere-like colloidal particles. Starting from model potentials and effective potentials in binary mixtures computed from the Ornstein-Zernike equations, we investigate the influence of the range and strength of a possible tail beyond the usual core repulsion or the presence of repulsive barriers. The diffusion coefficient and mean "bond" lifetimes are used as indicators of the effect of this structure on the dynamics. The existence of correlations between the variations of these quantities with the physical parameters is discussed to assess the interpretation of dynamics slowing down in terms of long-lived bonds. We also discuss the question of a universal behaviour determined by the second virial coefficient B ((2)) and the interplay of attraction and repulsion. While the diffusion coefficient follows the B ((2)) law for purely attractive tails, this is no longer true in the presence of repulsive barriers. Furthermore, the bond lifetime shows a dependence on the physical parameters that differs from that of the diffusion coefficient. This raises the question of the precise role of bonds on the dynamics slowing down in colloidal gels. PMID:25813606

  12. Isospin Diffusion Observables in heavy ion reactions

    E-print Network

    T. X. Liu; W. G. Lynch; M. B. Tsang; X. D. Liu; R. Shomin; W. P. Tan; G. Verde; A. Wagner; H. F. Xi; H. S. Xu; B. Davin; Y. Larochelle; R. T. de Souza; R. J. Charity; L. G. Sobotka

    2006-10-06

    Collisions of 112Sn and 124Sn nuclei, which differ in their isospin asymmetry, provide information about the rate of isospin diffusion and equilibration. While several different probes can provide accurate diffusion measurements, the ratios of the mirror nuclei may be the simplest and most promising one. Ratios of the mass seven mirror nuclei yields are analyzed to show the rapidity, transverse momentum and impact parameter dependence of isospin diffusion.

  13. Diffusion coefficients from resonant interactions with electrostatic electron cyclotron harmonic waves

    SciTech Connect

    Tripathi, A. K.; Singhal, R. P.

    2009-11-15

    Pitch-angle diffusion coefficients have been calculated for resonant interaction with electrostatic electron cyclotron harmonic (ECH) waves using quasilinear diffusion theory. Unlike previous calculations, the parallel group velocity has been included in this study. Further, ECH wave intensity is expressed as a function of wave frequency and wave normal angle with respect to ambient magnetic field. It is found that observed wave electric field amplitudes in Earth's magnetosphere are sufficient to set electrons on strong diffusion in the energy ranges of a few hundred eV. However, the required amplitudes are larger than the observed values for keV electrons and higher by about a factor of 3 compared to past calculations. Required electric field amplitudes are smaller at larger radial distances. It is concluded that ECH waves are responsible for diffuse auroral precipitation of electrons with energies less than about 500 eV.

  14. Study of the measurement for the diffusion coefficient by digital holographic interferometry.

    PubMed

    Zhang, Shi; He, Maogang; Zhang, Ying; Peng, Sanguo; He, Xinxin

    2015-11-01

    In the measurement of the diffusion coefficient by digital holographic interferometry, the conformity between the experiment and the ideal physical model is lacking analysis. Two data processing methods are put forward to overcome this problem. By these methods, it is found that there is obvious asymmetry in the experiment and the asymmetry is becoming smaller with time. Besides, the initial time for diffusion cannot be treated as a constant throughout the whole experiment. This means that there is a difference between the experiment and the physical model. With these methods, the diffusion coefficient of KCl in water at 0.33??mol/L and 25°C is measured. When the asymmetry is ignored, the result is 1.839×10-9??m2/s, which is in good agreement with the data in the literature. Because the asymmetry is becoming smaller with time, the experimental data in the latter time period conforms to the ideal physical model. With this idea, a more accurate diffusion coefficient is 2.003×10-9??m2/s, which is about 10% larger than the data in the literature. PMID:26560564

  15. Binary Diffusion Coefficient Data of Various Gas Systems Determined Using a Loschmidt Cell and Holographic Interferometry

    NASA Astrophysics Data System (ADS)

    Kugler, T.; Rausch, M. H.; Fröba, A. P.

    2015-10-01

    The paper reports on binary diffusion coefficient data for the gaseous systems argon-neon, krypton-helium, ammonia-helium, nitrous oxide-nitrogen, and propane-helium measured using a Loschmidt cell combined with holographic interferometry between (293.15 and 353.15) K as well as between (1 and 10) bar. The investigations on the noble gas systems aimed to validate the measurement apparatus by comparing the binary diffusion coefficients measured as a function of temperature and pressure with theoretical data. In previous studies, it was already shown that the raw concentration-dependent data measured with the applied setup are affected by systematic effects if pure gases are used prior to the diffusion process. Hence, the concentration-dependent measurement data were processed to obtain averaged binary diffusion coefficients at a mean mole fraction of 0.5. The data for the molecular gas systems complete literature data on little investigated systems of technical interest and point out the capabilities of the applied measurement apparatus. Further experimental data are reported for the systems argon-helium, krypton-argon, krypton-neon, xenon-helium, xenon-krypton, nitrous oxide-carbon dioxide, and propane-carbon dioxide at 293.15 K, 2 bar, and a mean mole fraction of 0.5.

  16. Optical techniques provide information on various effective diffusion coefficients in the presence of traps.

    PubMed

    Sigaut, Lorena; Ponce, María Laura; Colman-Lerner, Alejandro; Dawson, Silvina Ponce

    2010-11-01

    In many cell-signaling pathways information is transmitted via the diffusion of messenger molecules. In most cases, messengers react with other substances and diffuse at the same time. Effective diffusion coefficients may be introduced to characterize the net transport rate that results from the combined effect of these two processes. It was shown in [B. Pando, Proc. Natl. Acad. Sci. U.S.A. 103, 5338 (2006)] that even in the simplest scenario in which one bimolecular reaction is involved, two different effective coefficients are relevant. One gives the rate at which small perturbations spread out with time while the other relates the mean square displacement of a single particle to the time elapsed. They coincide in the absence of reactions but may be very different in other cases. Optical techniques provide a relatively noninvasive means by which transport rates can be estimated. In the above mentioned paper it was discussed why, under certain conditions, fluorescence recovery after photobleaching (FRAP), a technique commonly used to estimate diffusion rates in cells, provides information on one of the two effective coefficients. In the present paper we show that, under the same conditions, another commonly used optical technique, fluorescence correlation spectroscopy (FCS), gives information on the other one. This opens up the possibility of combining experiments to obtain information that goes beyond effective transport rates. In the present paper we discuss different ways to do so. PMID:21230505

  17. An interpretation of potential scale dependence of the effectivematrix diffusion coefficient

    SciTech Connect

    Liu, H.H.; Zhang, Y.Q.; Zhou, Q.; Molz, F.J.

    2005-11-30

    Matrix diffusion is an important process for solutetransport in fractured rock, and the matrix diffusion coefficient is akey parameter for describing this process. Previous studies indicatedthat the effective matrix diffusion coefficient values, obtained from alarge number of field tracer tests, are enhanced in comparison with localvalues and may increase with test scale. In this study, we have performednumerical experiments to investigate potential mechanisms behind possiblescale-dependent behavior. The focus of the experiments is on solutetransport in flow paths having geometries consistent with percolationtheories and characterized by local flow loops formed mainly bysmall-scale fractures. The water velocity distribution through a flowpath was determined using discrete fracture network flow simulations, andsolute transport was calculated using a previously derivedimpulse-response function and a particle-tracking scheme. Values foreffective (or up-scaled) transport parameters were obtained by matchingbreakthrough curves from numerical experiments with an analyticalsolution for solute transport along a single fracture. Results indicatethat a combination of local flow loops and the associated matrixdiffusion process, together with scaling properties in flow pathgeometry, seems to be the dominant mechanism causing the observed scaledependence of theeffective matrix diffusion coefficient (at a range ofscales).

  18. Determining diffusion coefficients of ionic liquids by means of field cycling nuclear magnetic resonance relaxometry

    SciTech Connect

    Kruk, D.; Meier, R.; Rössler, E. A.; Rachocki, A.; Korpa?a, A.; Singh, R. K.

    2014-06-28

    Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220–258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF{sub 4}, 243–318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}, 258–323 K). The dispersion of {sup 1}H spin-lattice relaxation rate R{sub 1}(?) is measured in the frequency range of 10 kHz–20 MHz, and the studies are complemented by {sup 19}F spin-lattice relaxation measurements on BMIM-PF{sub 6} in the corresponding frequency range. From the {sup 1}H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF{sub 4}, and BMIM-PF{sub 6} are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the {sup 1}H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R{sub 1} on square root of frequency. From the {sup 19}F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF{sub 6}. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids.

  19. In situ estimation of the gaseous nitrous oxide diffusion coefficient in a sandy loam soil

    SciTech Connect

    Bochove, E. van; Bertrand, N.; Caron, J.

    1998-09-01

    The estimation of gas exchanges with the soil is important when assessing gas emission to the atmospheric environment or gas consumption by the soil. This estimation often requires the measurement of the diffusion coefficient of the investigated gas. The aim of this study was to develop an experimental method creating limited soil disturbance and based on simple calculation procedures to determine the diffusion coefficient, D{sub s}, for N{sub 2}O in soils. This objective was achieved using a N{sub 2}O mass flow meter that supplied a continuous and constant flow of gas from below the soil surface until a steady-state N{sub 2}O concentration gradient with depth was obtained. The coefficients of diffusion were calculated daily for 6d, under steady-state concentration gradient, using Fick`s first law. The mean value of the diffusion coefficient for N{sub 2}O was 1.26 {times} 10{sup {minus}6} m{sup 2} s{sup {minus}1} (CV = 25%) at 0.16 m{sup 3} m{sup {minus}3} of air-filled porosity. This value was validated by a transient-state laboratory method using soil cores and compared with empirical estimations of D{sub s} from air-filled porosity determinations. The two experimental methods produced similar values for D{sub s} and both provided more accurate estimates than the empirical models. The proposed method can be applied to other gases provided an empirical model relating to D{sub s} to D{sub o} (gas diffusivity in free air) is first established. A theoretical study identified the threshold air-filled porosity values below which the flux density must be adjusted to maintain the validity of the D{sub s} calculations.

  20. Diffusion mechanism and the thermal stability of fluorine ions in GaN after ion implantation

    SciTech Connect

    Wang, M. J.; Yuan, L.; Chen, K. J.; Xu, F. J.; Shen, B.

    2009-04-15

    The diffusion mechanisms of fluorine ions in GaN are investigated by means of time-of-flight secondary ion mass spectrometry. Instead of incorporating fluorine ions close to the sample surface by fluorine plasma treatment, fluorine ion implantation with an energy of 180 keV is utilized to implant fluorine ions deep into the GaN bulk, preventing the surface effects from affecting the data analysis. It is found that the diffusion of fluorine ions in GaN is a dynamic process featuring an initial out-diffusion followed by in- diffusion and the final stabilization. A vacancy-assisted diffusion model is proposed to account for the experimental observations, which is also consistent with results on molecular dynamic simulation. Fluorine ions tend to occupy Ga vacancies induced by ion implantation and diffuse to vacancy rich regions. The number of continuous vacancy chains can be significantly reduced by a dynamic thermal annealing process. As a result, strong local confinement and stabilization of fluorine ions can be obtained in GaN crystal, suggesting excellent thermal stability of fluorine ions for device applications.

  1. A new in-situ method to determine the apparent gas diffusion coefficient of soils

    NASA Astrophysics Data System (ADS)

    Laemmel, Thomas; Paulus, Sinikka; Schack-Kirchner, Helmer; Maier, Martin

    2015-04-01

    Soil aeration is an important factor for the biological activity in the soil and soil respiration. Generally, gas exchange between soil and atmosphere is assumed to be governed by diffusion and Fick's Law is used to describe the fluxes in the soil. The "apparent soil gas diffusion coefficient" represents the proportional factor between the flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gases through the soil. One common way to determine this coefficient is to take core samples in the field and determine it in the lab. Unfortunately this method is destructive and needs laborious field work and can only reflect a small fraction of the whole soil. As a consequence insecurity about the resulting effective diffusivity on the profile scale must remain. We developed a new in-situ method using new gas sampling device, tracer gas and inverse soil gas modelling. The gas sampling device contains several sampling depths and can be easily installed into vertical holes of an auger, which allows for fast installation of the system. At the lower end of the device inert tracer gas is injected continuously. The tracer gas diffuses into the surrounding soil. The resulting distribution of the tracer gas concentrations is used to deduce the diffusivity profile of the soil. For Finite Element Modeling of the gas sampling device/soil system the program COMSOL is used. We will present the results of a field campaign comparing the new in-situ method with lab measurements on soil cores. The new sampling pole has several interesting advantages: it can be used in-situ and over a long time; so it allows following modifications of diffusion coefficients in interaction with rain but also vegetation cycle and wind.

  2. Drag and diffusion coefficients of $B$ mesons in hot hadronic matter

    E-print Network

    Santosh K Das; Sabyasachi Ghosh; Sourav Sarkar; Jan-e Alam

    2012-04-27

    The drag and diffusion coefficients of a hot hadronic medium consisting of pions, kaons and eta using open beauty mesons as a probe have been evaluated. The interaction of the probe with the hadronic matter has been treated in the framework of chiral perturbation theory. It is observed that the magnitude of both the transport coefficients are significant, indicating substantial amount of interaction of the heavy mesons with the thermal bath. The results may have significant impact on the experimental observables like the suppression of single electron spectra originating from the decays of heavy mesons produced in nuclear collisions at RHIC and LHC energies

  3. Ion diffusion modified by tortuosity and volume fraction in the extracellular microenvironment of the rat cerebellum.

    PubMed Central

    Nicholson, C; Phillips, J M

    1981-01-01

    1. The validity of the macroscopic laws of ion diffusion was critically examined within the microenvironment of the extracellular space in the rat cerebellum using ion-selective micropipettes and ionophoretic point sources. 2. The concepts of volume averaging, volume fraction (alpha) and tortuosity (lambda) were defined and shown to be theoretically appropriate for quantifying diffusion in a complex medium such as the brain. 3. Diffusion studies were made with the cations tetramethylammonium and tetraethylammonium and the anions alpha-naphthalene sulphonate and hexafluoro-arsenate, all of which remained essentially extracellular during the measurements. Diffusion parameters were measured for a period of 50s and over distances of the order of 0.1 mm. 4. Measurements of the diffusion coefficients of the ions in agar gel gave values that were very close to those derivable from the literature, thus confirming the validity of the method. 5. Measurements in the cerebellum did not reveal any systematic influences of ionophoretic current strength, electrode separation, anisotropy, inhomogeneity, charge discrimination or uptake, within the limits tested. 6. The pooled data from measurements with all the ions gave alpha = 0.21 +/- 0.02 (mean +/- S.E. of mean) and lambda = 1.55 +/- 0.05 (mean +/- S.E. of mean). 7. These results show that the extracellular space occupies about 20% of the rat cerebellum and that the diffusion coefficient for small monovalent extracellular ions is reduced by a factor of 2.4 (i.e. lambda 2) without regard to charge sign. The over-all effect of this is to increase the apparent strength of any ionic source in the cerebellum by a factor of lambda 2/alpha, about 12-fold in the present case, and to modify the time course of diffusion. 8. These conclusions confirm that the laws of macroscopic diffusion are closely obeyed in the cerebellum for small ions in the extracellular space, provided that volume fraction and tortuosity are explicitly taken into account. It is likely that these conclusions are generally applicable to other brain regions and other diffusing substances. PMID:7338810

  4. Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites

    NASA Technical Reports Server (NTRS)

    Wei, Chengyu; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

    2001-01-01

    Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and van der Waals forces for polymer-nanotube interface have been used to investigate thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Addition of carbon nanotubes to polymer matrix is found to significantly increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients in the composite above Tg. The increase has been attributed to the temperature dependent increase of the excluded volume for the polymer chains, and the findings could have implications in the composite processing, coating and painting applications.

  5. In Situ Effective Diffusion Coefficient Profiles in Live Biofilms Using Pulsed-Field Gradient Nuclear Magnetic Resonance

    SciTech Connect

    Renslow, Ryan S.; Majors, Paul D.; McLean, Jeffrey S.; Fredrickson, Jim K.; Ahmed, B.; Beyenal, Haluk

    2010-08-15

    Diffusive mass transfer in biofilms is characterized by the effective diffusion coefficient. It is well-documented that the effective diffusion coefficient can vary by location in a biofilm. The current literature is dominated by effective diffusion coefficient measurements for distinct cell clusters and stratified biofilms showing this spatial variation. Regardless of whether distinct cell clusters or surface-averaging methods are used, position-dependent measurements of the effective diffusion coefficient are currently: 1) invasive to the biofilm, 2) performed under unnatural conditions, 3) lethal to cells, and/or 4) spatially restricted to only certain regions of the biofilm. Invasive measurements can lead to inaccurate results and prohibit further (time dependent) measurements which are important for the mathematical modeling of biofilms. In this study our goals were to: 1) measure the effective diffusion coefficient for water in live biofilms, 2) monitor how the effective diffusion coefficient changes over time under growth conditions, and 3) correlate the effective diffusion coefficient with depth in the biofilm. We measured in situ two-dimensional effective diffusion coefficient maps within Shewanella oneidensis MR-1biofilms using pulsed-field gradient nuclear magnetic resonance methods, and used them to calculate surface-averaged relative effective diffusion coefficient (Drs) profiles. We found that 1) Drs decreased from the top of the biofilm to the bottom, 2) Drs profiles differed for biofilms of different ages, 3) Drs profiles changed over time and generally decreased with time, 4) all the biofilms showed very similar Drs profiles near the top of the biofilm, and 5) the Drs profile near the bottom of the biofilm was different for each biofilm. Practically, our results demonstrate that advanced biofilm models should use a variable effective diffusivity which changes with time and location in the biofilm.

  6. Stress enhanced diffusion of krypton ions in polycrystalline titanium

    SciTech Connect

    Nsengiyumva, S.; Raji, A. T.; Rivière, J. P.; Britton, D. T.; Härting, M.

    2014-07-14

    An experimental investigation on the mutual influence of pre-existing residual stress and point defect following ion implantation is presented. The study has been carried out using polycrystalline titanium samples energetically implanted with krypton ions at different fluences. Ion beam analysis was used to determine the concentration profile of the injected krypton ions, while synchrotron X-ray diffraction has been used for stress determination. Ion beam analysis and synchrotron X-ray diffraction stress profile measurements of the implanted titanium samples show a clear evidence of stress-enhanced diffusion of krypton ions in titanium. It is further observed that for the titanium samples implanted at low fluence, ion implantation modifies the pre-existing residual stress through the introduction of point and open volume defects. The stress fields resulting from the ion implantation act to drift the krypton inclusions towards the surface of titanium.

  7. Simulations of Ion Acceleration at Non-relativistic Shocks. III. Particle Diffusion

    NASA Astrophysics Data System (ADS)

    Caprioli, D.; Spitkovsky, A.

    2014-10-01

    We use large hybrid (kinetic-protons-fluid-electrons) simulations to investigate the transport of energetic particles in self-consistent electromagnetic configurations of collisionless shocks. In previous papers of this series, we showed that ion acceleration may be very efficient (up to 10%-20% in energy), and outlined how the streaming of energetic particles amplifies the upstream magnetic field. Here, we measure particle diffusion around shocks with different strengths, finding that the mean free path for pitch-angle scattering of energetic ions is comparable with their gyroradii calculated in the self-generated turbulence. For moderately strong shocks, magnetic field amplification proceeds in the quasi-linear regime, and particles diffuse according to the self-generated diffusion coefficient, i.e., the scattering rate depends only on the amount of energy in modes with wavelengths comparable with the particle gyroradius. For very strong shocks, instead, the magnetic field is amplified up to non-linear levels, with most of the energy in modes with wavelengths comparable to the gyroradii of highest-energy ions, and energetic particles experience Bohm-like diffusion in the amplified field. We also show how enhanced diffusion facilitates the return of energetic particles to the shock, thereby determining the maximum energy that can be achieved in a given time via diffusive shock acceleration. The parameterization of the diffusion coefficient that we derive can be used to introduce self-consistent microphysics into large-scale models of cosmic ray acceleration in astrophysical sources, such as supernova remnants and clusters of galaxies.

  8. Simulations of ion acceleration at non-relativistic shocks. III. Particle diffusion

    SciTech Connect

    Caprioli, D.; Spitkovsky, A.

    2014-10-10

    We use large hybrid (kinetic-protons-fluid-electrons) simulations to investigate the transport of energetic particles in self-consistent electromagnetic configurations of collisionless shocks. In previous papers of this series, we showed that ion acceleration may be very efficient (up to 10%-20% in energy), and outlined how the streaming of energetic particles amplifies the upstream magnetic field. Here, we measure particle diffusion around shocks with different strengths, finding that the mean free path for pitch-angle scattering of energetic ions is comparable with their gyroradii calculated in the self-generated turbulence. For moderately strong shocks, magnetic field amplification proceeds in the quasi-linear regime, and particles diffuse according to the self-generated diffusion coefficient, i.e., the scattering rate depends only on the amount of energy in modes with wavelengths comparable with the particle gyroradius. For very strong shocks, instead, the magnetic field is amplified up to non-linear levels, with most of the energy in modes with wavelengths comparable to the gyroradii of highest-energy ions, and energetic particles experience Bohm-like diffusion in the amplified field. We also show how enhanced diffusion facilitates the return of energetic particles to the shock, thereby determining the maximum energy that can be achieved in a given time via diffusive shock acceleration. The parameterization of the diffusion coefficient that we derive can be used to introduce self-consistent microphysics into large-scale models of cosmic ray acceleration in astrophysical sources, such as supernova remnants and clusters of galaxies.

  9. Ion beam microtexturing and enhanced surface diffusion

    NASA Technical Reports Server (NTRS)

    Robinson, R. S.

    1982-01-01

    Ion beam interactions with solid surfaces are discussed with particular emphasis on microtexturing induced by the deliberate deposition of controllable amounts of an impurity material onto a solid surface while simultaneously sputtering the surface with an ion beam. Experimental study of the optical properties of microtextured surfaces is described. Measurements of both absorptance as a function of wavelength and emissivity are presented. A computer code is described that models the sputtering and ion reflection processes involved in microtexture formation.

  10. Mechanisms of Stochastic Diffusion of Energetic Ions in Spherical Tori

    SciTech Connect

    Ya.I. Kolesnichenko; R.B. White; Yu.V. Yakovenko

    2001-01-18

    Stochastic diffusion of the energetic ions in spherical tori is considered. The following issues are addressed: (I) Goldston-White-Boozer diffusion in a rippled field; (ii) cyclotron-resonance-induced diffusion caused by the ripple; (iii) effects of non-conservation of the magnetic moment in an axisymmetric field. It is found that the stochastic diffusion in spherical tori with a weak magnetic field has a number of peculiarities in comparison with conventional tokamaks; in particular, it is characterized by an increased role of mechanisms associated with non-conservation of the particle magnetic moment. It is concluded that in current experiments on National Spherical Torus eXperiment (NSTX) the stochastic diffusion does not have a considerable influence on the confinement of energetic ions.

  11. Temperature dependence of Soret and diffusion coefficients for toluene-cyclohexane mixture measured in convection-free environment.

    PubMed

    Mialdun, A; Shevtsova, V

    2015-12-14

    We report on the measurement of diffusion (D), Soret (ST), and thermodiffusion (DT) coefficients in toluene-cyclohexane mixture with mass fraction of toluene 0.40 onboard of the International Space Station. The coefficients were measured in the range of the mean temperatures between 20?°C and 34?°C. The Soret coefficient is negative within the investigated temperature range and its absolute value |ST| decreases with increasing temperature. The diffusion coefficient for this system increases with temperature rising. For comparison, the temperature dependence of diffusion coefficient was measured in ground laboratory using counter-flow cell technique and revealed a good agreement with microgravity results. A non-direct comparison of the measured onboard Soret coefficients with different systems indicated a similar trend for the temperature dependent behavior. Unexpected experimental finding is that for this system the thermodiffusion coefficient DT does not depend on temperature. PMID:26671399

  12. Determination of the Solute Diffusion Coefficient by the Droplet Migration Method

    SciTech Connect

    Shan Liu; Jing Teng; Jeongyun Choi

    2007-07-01

    Further analysis of droplet migration in a temperature gradient field indicates that different terms can be used to evaluate the solute diffusion coefficient in liquid (D{sub L}) and that there exists a characteristic curve that can describe the motion of all the droplets for a given composition and temperature gradient. Critical experiments are subsequently conducted in succinonitrile (SCN)-salol and SCN-camphor transparent alloys in order to observe dynamic migration processes of a number of droplets. The derived diffusion coefficients from different terms are the same within experimental error. For SCN-salol alloys, D{sub L} = (0.69 {+-} 0.05) x 10{sup -3} mm{sup 2}/s, and for SCN-camphor alloys, D{sub L} = (0.24 {+-} 0.02) x 10{sup -3} mm{sup 2}/s.

  13. Oxygen diffusion coefficient and solubility in a new proton exchange membrane

    SciTech Connect

    Haug, A.T.; White, R.E.

    2000-03-01

    The electrochemical monitoring technique is used to measure the solubility and the diffusion coefficient of oxygen in a new proton exchange membrane that is being developed by Cape Cod Research, Inc., Using the method of least squares, the data were fit to an analytical solution of Fick's second law to determine D and c{sub 0}. Values of 0.40 x 10{sup {minus}6}cm{sup 2}/s and 4.98 x 10{sup {minus}6} mol/cm{sup 3} were obtained for the diffusion coefficient and solubility, respectively, of the Cape Cod membrane. These values are significantly less than those of Nafion 117 tested under identical conditions.

  14. Newton Equations May be Treated as Diffusion Equations in the Real Time and Space Fields of Multifractal Universe (Masses are Diffusion Coefficients of Diffusion-like Equations)

    E-print Network

    L. Ya. Kobelev

    2001-04-11

    In thirties years of last century Dirac proposed to treat Schrodinger equation as the equation of diffusion with imaginary diffusion coefficient. In the frame of multifractal theory of time and space (in this model our the multifractal universe is consisting of real time and space fields) in the works [1]-[16] was analyzed how the fractional dimensions of real fields of time and space influence on behavior of different physical phenomena. In this paper the Newton equations of the multifractal universe (considered for the first time in [1]-[3]) are generalized and is treated as the equations of diffusion with mass of bodies (depending of fractional dimension of place, where these bodies located) as a coefficient of diffusion. The realization of this point of view for inhomogeneous time equations (the analogies of Newton equations) is carried out too. The last leads to introducing of new sort of masses: the masses that characterize the inertia of inhomogeneous time flows with space coordinates changing. CONTENTS: 1. Introduction;2. Newton Equations in the Multifractal Universe; 3. Generalized Newton Equations and Its Diffusion Interpretation; 4. Generalized Inhomogeneous Time Equation and Its Diffusion Interpretation; 5. Conclusions

  15. Bounce-averaged diffusion coefficients in the Tsyganenko field model for oblique chorus waves

    NASA Astrophysics Data System (ADS)

    Orlova, Ksenia; Shprits, Yuri

    2010-05-01

    The assessment of the importance of various acceleration and loss mechanisms of relativistic electrons is crucially important for predicting and understanding the dynamics of the radiation belts. It is commonly accepted that resonant wave-particle interactions play a major role in these processes. Bounce-averaged momentum, pitch-angle, and mixed diffusion coefficients, calculated using various models of spectral properties of waves and spatial distributions of plasma waves, are used in modern radiation belt codes as inputs. The diffusion coefficients for radiation belt models are usually computed using the quasi-linear theory and are bounce-averaged in the dipole magnetic field. During magnetic storms, however, the configuration and the value of the magnetic field are significantly changed, which may potentially influence the scattering rates. The purpose of this work is to estimate the role of a realistic magnetic field model on the bounce-averaged diffusion coefficients. We present the results of computations of bounce-averaged quasi-linear momentum Dpp, pitch-angle D?? and mixed pitch angle-momentum D?p diffusion coefficients in the Tsyganenko magnetic field model. We assume that electrons are scattered by oblique whistler mode chorus waves of Gaussian spread of wave power spectral density and wave normal angle outside the plasmasphere. The scattering rates are computed using the full electromagnetic dispersion relation and up to ±5-order resonance condition including Landau resonance. The diffusion coefficients are calculated for quiet conditions (Kp=2) and storm-time conditions (Kp=6) for the day and night sides. We compare scattering rates bounce-averaged in the Tsyganenko field model with those in the dipole field and discuss the differences. The results are followed by a physical explanation of how the magnetic field model can change the bounce-averaged scattering rates. The calculations show that, during active conditions, the pitch-angle scattering by chorus waves in the realistic magnetic field can diffuse relativistic electrons to the loss cone not only on the day side, as was previously shown, but also on the night side. This explains the often observed microburst precipitation on the night side. Our study shows that while there are still a number of unknown parameters that determine scattering rates, inclusion of bounce-averaging in the realistic field will be crucially important for future radiation belt modeling.

  16. Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point

    NASA Technical Reports Server (NTRS)

    Chopra, M. A.; Glicksman, M. E.; Singh, N. B.

    1988-01-01

    The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).

  17. Comparison between the spectral diffuse attenuation coefficients and the IOP parameters

    NASA Astrophysics Data System (ADS)

    Mao, Zhihua; Zhou, Yan; Huang, Haiqing; Bai, Yan

    2008-12-01

    The spectral diffuse attenuation coefficients of downward irradiance (Kd) and upward radiance (Ku) are calculated from a profiler spectrometer measured data. Both Kd and Ku are the parameters of apparent optical properties (AOP) and need to be normalized according to the position of the Sun and sky conditions. Three kinds of sky indices are used to indicate the atmospheric conditions of clear, overcast and partly cloudy at the time of measurements. The values of normalized Kd can be compared with the sums of total absorption and backscattering coefficients. The total values from both measured data and the models fit the normalized Kd with the correlation coefficients of 0.85 and 0.81, respectively. The accuracy of Kd is also evaluated by the spectral root mean square error (RMSE) less than 0.15 m-1 in the spectral range from 450 to 700 nm.

  18. Measurements of diffusion coefficients in 1-D micro- and nanochannels using shear-driven flows.

    PubMed

    Pappaert, Kris; Biesemans, Jurgen; Clicq, David; Vankrunkelsven, Sarah; Desmet, Gert

    2005-10-01

    The present paper describes a method for measuring the molecular diffusion coefficient of fluorescent molecules in microfluidic systems. The proposed static shear-driven flow method allows one to perform diffusion measurements in a fast and accurate manner. The method also allows one to work in very thin (i.e. submicron) channels, hence allowing the investigation of diffusion in highly confined spaces. In the deepest investigated channels, the obtained results were comparable to the existing literature values, but when the channel size dropped below the micrometer range, a significant decrease (more than 30%) in molecular diffusivity was observed. The reduction of the diffusivity was most significant for the largest considered molecules (ssDNA oligomers with a size ranging between 25 to 100 bases), but the decrease was also observed for smaller tracer molecules (FITC). This decrease can be attributed to the interactions of the analyte molecules with the channel walls, which can no longer be neglected when the depth of the channel reaches a critical value. The change in diffusivity seems to become more explicit as the molecular weight of the analytes increases. PMID:16175267

  19. Empirical correlations between the arrhenius' parameters of impurities' diffusion coefficients in CdTe crystals

    SciTech Connect

    Shcherbak, L.; Kopach, O.; Fochuk, P.; James, R. B.; Bolotnikov, A. E.

    2015-01-21

    Understanding of self- and dopant-diffusion in semiconductor devices is essential to our being able to assure the formation of well-defined doped regions. In this paper, we compare obtained in the literature up to date the Arrhenius’ parameters (D=D0exp(–?Ea/kT)) of point-defect diffusion coefficients and the I-VII groups impurities in CdTe crystals and films. We found that in the diffusion process there was a linear dependence between the pre-exponential factor, D0, and the activation energy, ?Ea, of different species: This was evident in the self-diffusivity and isovalent impurity Hg diffusivity as well as for the dominant IIIA and IVA groups impurities and Chlorine, except for the fast diffusing elements (e.g., Cu and Ag), chalcogens O, S, and Se, halogens I and Br as well as the transit impurities Mn, Co, Fe. As a result, reasons of the lack of correspondence of the data to compensative dependence are discussed.

  20. Empirical correlations between the arrhenius' parameters of impurities' diffusion coefficients in CdTe crystals

    DOE PAGESBeta

    Shcherbak, L.; Kopach, O.; Fochuk, P.; James, R. B.; Bolotnikov, A. E.

    2015-01-21

    Understanding of self- and dopant-diffusion in semiconductor devices is essential to our being able to assure the formation of well-defined doped regions. In this paper, we compare obtained in the literature up to date the Arrhenius’ parameters (D=D0exp(–?Ea/kT)) of point-defect diffusion coefficients and the I-VII groups impurities in CdTe crystals and films. We found that in the diffusion process there was a linear dependence between the pre-exponential factor, D0, and the activation energy, ?Ea, of different species: This was evident in the self-diffusivity and isovalent impurity Hg diffusivity as well as for the dominant IIIA and IVA groups impurities andmore »Chlorine, except for the fast diffusing elements (e.g., Cu and Ag), chalcogens O, S, and Se, halogens I and Br as well as the transit impurities Mn, Co, Fe. As a result, reasons of the lack of correspondence of the data to compensative dependence are discussed.« less

  1. Quantification of sampling uncertainty for molecular dynamics simulation: Time-dependent diffusion coefficient in simple fluids

    NASA Astrophysics Data System (ADS)

    Kim, Changho; Borodin, Oleg; Karniadakis, George Em

    2015-12-01

    We analyze two standard methods to compute the diffusion coefficient of a tracer particle in a medium from molecular dynamics (MD) simulation, the velocity autocorrelation function (VACF) method, and the mean-squared displacement (MSD) method. We show that they are equivalent in the sense that they provide the same mean values with the same level of statistical errors. We obtain analytic expressions for the level of the statistical errors present in the time-dependent diffusion coefficient as well as the VACF and the MSD. Under the assumption that the velocity of the tracer particle is a Gaussian process, all results are expressed in terms of the VACF. Hence, the standard errors of all relevant quantities are computable once the VACF is obtained from MD simulation. By using analytic models described by the Langevin equations driven by Gaussian white noise and Poissonian white shot noise, we verify our theoretical error estimates and discuss the non-Gaussianity effect in the error estimates when the Gaussian process approximation does not hold exactly. For validation, we perform MD simulations for the self-diffusion of a Lennard-Jones fluid and the diffusion of a large and massive colloid particle suspended in the fluid. Our theoretical framework is also applicable to mesoscopic simulations, e.g., Langevin dynamics and dissipative particle dynamics.

  2. Single master curve for self-diffusion coefficients in distinctly different glass-forming liquids

    NASA Astrophysics Data System (ADS)

    Tokuyama, Michio

    2010-10-01

    An existence of a single master curve for the long-time self-diffusion coefficients DSL(T) in diversely different glass-forming liquids is predicted over wide temperature T ranges above the glass transition point Tg by analyzing various experimental and simulation data consistently from a unified point of view based on the mean-field theory recently developed. In order to scale those data appropriately, the power-law dependence of the ? - and the ? -relaxation times on DSL is used. Then, it is shown that any equilibrium data for self-diffusion of atom in different systems are all collapsed onto a singular function f(Tf(?)/T) , where Tf(?) is a fictive singular temperature of atom ? . Thus, we emphasize that any equilibrium self-diffusion data can be described by a single master curve f(x) above Tg(>Tf) , while the data out of equilibrium start to deviate from f(x) around Tg .

  3. Statistical analysis of diffuse ion events upstream of the Earth's bow shock

    NASA Technical Reports Server (NTRS)

    Trattner, K. J.; Mobius, E.; Scholer, M.; Klecker, B.; Hilchenbach, M.; Luehr, H.

    1994-01-01

    A statistical study of diffuse energetic ion events and their related waves upstream of the Earth's bow shock was performed using data from the Active Magnetospheric Particle Tracer Explorers/Ion Release Module (AMPTE/IRM) satellite over two 5-month periods in 1984 and 1985. The data set was used to test the assumption in the self-consistent model of the upstream wave and particle populations by Lee (1982) that the particle acceleration through hydromagnetic waves and the wave generation are directly coupled. The comparison between the observed wave power and the wave power predicted on the observed energetic particle energy density and solar wind parameters results in a high correlation coefficient of about 0.89. The intensity of diffuse ions falls off approximately exponentially with the distance upstream from the bow shock parallel to the magnetic field with e-folding distances which vary from approximately 3.3 R(sub E) to approximately 11.7 R(sub E) over the energy range from 10 keV/e to 67.3 keV/e for both protons and alpha particles. After normalizing the upstream particle densities to zero bow shock distance by using these exponential variations, a good correlation (0.7) of the density of the diffuse ions with the solar wind density was found. This supports the suggestion that the solar wind is the source of the diffuse ions. Furthermore, the spectral slope of the diffuse ions correlates well with the solar wind velocity component in the direction of the interplanetary magnetic field (0.68 and 0.66 for protons and alpha particles) which concurs with the notion that the solar wind plays an important role in the acceleration of the upstream particles.

  4. Effect of molecular weight on ion diffusion and transference number in poly(ethylene oxide)

    NASA Astrophysics Data System (ADS)

    Timachova, Ksenia; Balsara, Nitash

    2015-03-01

    Solid polymer electrolytes are of great interest for their potential use in high specific energy, solid-state batteries, however, salt transport properties in polymer electrolytes have not been comprehensively addressed over a wide range of molecular weights. Poly(ethylene oxide) (PEO) has been the most widely studied polymer electrolyte due to its high solvation of lithium salts and low glass transition temperature. This study presents measurements of the transport properties of lithium bis(trifluoromethanesulfone)imide (LiTFSI) in PEO at both the high concentration present in functional electrolytes and in the dilute limit for a large range of PEO molecular weights. Individual diffusion coefficients of the Li + and TFSI- ions were measured using pulsed-field gradient nuclear magnetic resonance and the cation transference number was calculated. The diffusion coefficients, transference number, and conductivity as a function of molecular weight and salt concentration provide a complete set of transport properties for PEO.

  5. Comparison of Diffusion Coefficients of Aryl Carbonyls and Aryl Alcohols in Hydroxylic Solvents. Evidence that the Diffusion of Ketyl Radicals in Hydrogen-Bonding Solvents is Not Anomalous?

    SciTech Connect

    Autrey, S Thomas ); Camaioni, Donald M. ); Kandanarachchi, Pramod H.; Franz, James A. )

    2000-12-01

    The diffusion coefficients of a benzyl-, sec-phenethyl-, and diphenylmethyl alcohol and the corresponding aryl carbonyls (benzaldehyde, acetophenone and benzophenone) were measured by Taylor's dispersion method in both ethyl and isopropyl alcohol. The experimental values are compared to published transient grating measurements of the corresponding aryl ketyl radicals (benzyl-, sec-phenethyl-, and diphenylmethyl-ketyl radical). In general, the diffusion coefficient of the aryl alcohols and the corresponding aryl ketyl radicals are equivalent within experimental error. This work shows that the diffusion of ketyl radicals is not anomalously slow and that aryl alcohols are significantly better models than the corresponding aryl ketones for analyzing the diffusion of aryl ketyl radicals in both ethyl and isopropyl alcohol. Empirical estimates of the diffusion coefficients of aryl alcohols using the Spernol-Wirtz and Wilke-Chang modifications to the Stokes-Einstein diffusion equation do not adequately account for the interactions between the aryl ketyl radicals or aryl alcohols with the hydroxylic solvents ethyl and isopropyl alcohol. The excellent agreement between the experimental diffusion coefficients of the aryl alcohols and the corresponding ketyl radicals show that the transient grating method can provide accurate estimates for the diffusion coefficients of transient species. This is especially important when a stable model is not available, for example the pyranyl radical.

  6. Consequences of using nonlinear particle trajectories to compute spatial diffusion coefficients. [for cosmic ray propagation in interstellar and interplanetary space

    NASA Technical Reports Server (NTRS)

    Goldstein, M. L.

    1977-01-01

    In a study of cosmic ray propagation in interstellar and interplanetary space, a perturbed orbit resonant scattering theory for pitch angle diffusion in a slab model of magnetostatic turbulence is slightly generalized and used to compute the diffusion coefficient for spatial propagation parallel to the mean magnetic field. This diffusion coefficient has been useful for describing the solar modulation of the galactic cosmic rays, and for explaining the diffusive phase in solar flares in which the initial anisotropy of the particle distribution decays to isotropy.

  7. Mass- and temperature-dependent diffusion coefficients for lightnoble gases for the TOUGH2-EOSN Model

    SciTech Connect

    Andrews, J.L.; Finsterle, S.; Saar, M.O.

    2007-04-13

    This report describes modifications made to the EOSN module(Shan and Pruess, 2003) of the nonisothermal multiphase flow simulatorTOUGH2 (Pruess, et al., 1999). The EOSN fluid property module simulatestransport of water, brine, air, and noble gases or CO2 in the subsurface.In the standard version of the EOSN module, diffusion coefficients can bespecified by the user, but there is no allowance for liquid-phasediffusion coefficients to change with temperature. Furthermore, usersmust specify radiogenic sources of heat and helium for each element indata block GENER, which can be a time-consuming task for models withlarge numbers of elements. Our modifications seek to increase thefunctionality and efficiency of using TOUGH2-EOSN by allowing for mass-and temperature-dependent liquid-phase diffusion coefficients for heliumand neon and specification of radiogenic heat and helium production as aproperty of a material. The modified version is based on TOUGH2-EOSN andthus requires familiarity with the capabilities and input formats of theTOUGH2 code (Pruess, et al., 1999) and the EOSN module (Shan and Pruess,2003). This report only details our modifications and how to properlyutilize them.

  8. The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Meyer, Andreas

    2015-01-01

    Quasielastic incoherent neutron scattering (QENS) has proven to be a versatile tool to study self diffusion of atoms in liquid metals. Here it is shown, that coherent contributions to the signal in the small q limit appear as a flat and energy independent constant to the QENS signal in single-component liquid metals even for systems with a small incoherent scattering cross section, like aluminum. Container-less processing via electromagnetic or electrostatic levitation devices, especially designed for QENS, enables the in-situ measurement on liquid metallic droplets of sizes between 5 mm to 10 mm in diameter. This gives access to the study of chemically reactive, refractory metallic melts and extends the accessible temperature range to undercoolings of several hundred Kelvin below the respective melting point. Compared to experiments using a thin-walled crucible giving hollow-cylindrical sample geometry it is shown that multiple scattering on levitated droplets is negligible for the analysis of the self-diffusion coefficient. QENS results of liquid germanium and 73germanium isotope mixtures, titanium, nickel, copper and aluminum are reviewed. The self-diffusion coefficients of these systems are best described by an Arrhenius-type temperature dependence around their respective melting points.

  9. Colloids electrophoresis for strong and weak ion diffusivity

    E-print Network

    Giovanni Giupponi; Ignacio Pagonabarraga

    2011-05-30

    We study the electrophoretic flow of suspensions of charged colloids with a mesoscopic method that allows to model generic experimental conditions. We show that for highly charged colloids their electrophoretic mobility increases significantly and displays a mobility maximum on increasing the colloidal charge for all salt concentrations. The electrophoretic mobility of highly charged colloids is also enhanced significantly when ion advection is dominant, leading to a strong heterogeneity in the local electrophoretic response especially at low salt concentration, when ion diffuse layers overlap.

  10. Determination of partition and diffusion coefficients of formaldehyde in selected building materials and impact of relative humidity.

    PubMed

    Xu, Jing; Zhang, Jianshun S; Liu, Xiaoyu; Gao, Zhi

    2012-06-01

    The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, "green" gypsum wallboard, and "green" carpet) under three relative humidity (RH) conditions (20%, 50%, and 70% RH). The "green" materials contained recycled materials and were friendly to environment. A dynamic dual-chamber test method was used. Results showed that a higher relative humidity led to a larger effective diffusion coefficient for two kinds of wallboards and carpet. The carpet was also found to be very permeable resulting in an effective diffusion coefficient at the same order of magnitude with the formaldehyde diffusion coefficient in air. The partition coefficient (K(ma)) of formaldehyde in conventional wallboard was 1.52 times larger at 50% RH than at 20% RH, whereas it decreased slightly from 50% to 70% RH, presumably due to the combined effects of water solubility of formaldehyde and micro-pore blocking by condensed moisture at the high RH level. The partition coefficient of formaldehyde increased slightly with the increase of relative humidity in "green" wallboard and "green" carpet. At the same relative humidity level, the "green" wallboard had larger partition coefficient and effective diffusion coefficient than the conventional wallboard, presumably due to the micro-pore structure differences between the two materials. The data generated could be used to assess the sorption effects of formaldehyde on building materials and to evaluate its impact on the formaldehyde concentration in buildings. PMID:22788105

  11. Relativistic diffusion and heavy-ion collisions

    E-print Network

    Rajeev S. Bhalerao; Sourendu Gupta

    2009-02-24

    We study first and second order theories of relativistic diffusion coupled to hydrodynamics under the approximation, valid at mid-rapidity in the RHIC and LHC, that conserved number densities are much smaller than the entropy density. We identify experimentally accessible quantities of interest, and show that the first and second order theories may lead to radically different evolutions of these quantities. In the first order theory the memory of the initial state is almost completely washed out, whereas in the second order theory it is possible that freezeout occurs at a time when transient dynamics is still on, and the memory of the initial state remains. There are observational consequences which we touch upon. In the first order theory, and for initial conditions when the second order theory mimics the first order, one may be able to put a bound on the diffusion constant.

  12. Three FORTRAN programs for finite-difference solutions to binary diffusion in one and two phases with composition-and time-dependent diffusion coefficients

    USGS Publications Warehouse

    Sanford, R.F.

    1982-01-01

    Geological examples of binary diffusion are numerous. They are potential indicators of the duration and rates of geological processes. Analytical solutions to the diffusion equations generally do not allow for variable diffusion coefficients, changing boundary conditions, and impingement of diffusion fields. The three programs presented here are based on Crank-Nicholson finite-difference approximations, which can take into account these complicating factors. Program 1 describes the diffusion of a component into an initially homogeneous phase that has a constant surface composition. Specifically it is written for Fe-Mg exchange in olivine at oxygen fugacities appropriate for the lunar crust, but other components, phases, or fugacities may be substituted by changing the values of the diffusion coefficient. Program 2 simulates the growth of exsolution lamellae. Program 3 describes the growth of reaction rims. These two programs are written for pseudobinary Ca-(Mg, Fe) exchange in pyroxenes. In all three programs, the diffusion coefficients and boundary conditions can be varied systematically with time. To enable users to employ widely different numerical values for diffusion coefficients and diffusion distance, the grid spacing in the space dimension and the increment by which the grid spacing in the time dimension is increased at each time step are input constants that can be varied each time the programs are run to yield a solution of the desired accuracy. ?? 1982.

  13. Compilation and evaluation of gas phase diffusion coefficients of reactive trace gases in the atmosphere: volume 1. Inorganic compounds

    NASA Astrophysics Data System (ADS)

    Tang, M. J.; Cox, R. A.; Kalberer, M.

    2014-09-01

    Diffusion of gas molecules to the surface is the first step for all gas-surface reactions. Gas phase diffusion can influence and sometimes even limit the overall rates of these reactions; however, there is no database of the gas phase diffusion coefficients of atmospheric reactive trace gases. Here we compile and evaluate, for the first time, the diffusivities (pressure-independent diffusion coefficients) of atmospheric inorganic reactive trace gases reported in the literature. The measured diffusivities are then compared with estimated values using a semi-empirical method developed by Fuller et al. (1966). The diffusivities estimated using Fuller's method are typically found to be in good agreement with the measured values within ±30%, and therefore Fuller's method can be used to estimate the diffusivities of trace gases for which experimental data are not available. The two experimental methods used in the atmospheric chemistry community to measure the gas phase diffusion coefficients are also discussed. A different version of this compilation/evaluation, which will be updated when new data become available, is uploaded online (diffusion"target="_blank">https://sites.google.com/site/mingjintang/home/diffusion).

  14. Determination of partition and diffusion coefficients of formaldehyde in selected building materials and impact of relative humidity (journal)

    EPA Science Inventory

    The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, "green" gypsum wallboard, and "green" carpet) under three relative humidity (RH) conditions (20%, 50% and 70% RH). A dynamic dual-chamber test meth...

  15. Determination of partition and diffusion coefficient of formaldehyde in selected building materials and impact of relative humidity

    EPA Science Inventory

    The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, "green" gypsum wallboard, and "green" carpet) under three relative humidity (RH) conditions (20%, 50% and 70% RH). A dynamic dual-chamber test meth...

  16. Calculating diffusion and permeability coefficients with the oscillating forward-reverse method

    NASA Astrophysics Data System (ADS)

    Holland, Bryan W.; Gray, Chris G.; Tomberli, Bruno

    2012-09-01

    The forward-reverse or FR method is an efficient bidirectional work method for determining the potential of mean force w(z) and also supposedly gives in principle the position-dependent diffusion coefficient D(z). Results from a variation called the OFR (oscillating FR) method suggest inconsistencies in the D(z) values when calculated as prescribed by the FR method. A new steering protocol has thus been developed and applied to the OFR method for the accurate determination of D(z) and also provides greater convergence for w(z) in molecular dynamics simulations. The bulk diffusion coefficient for water was found to be (6.03±0.16)×10-5 cm2/s at 350 K with system size dependence within the statistical error bars. Using this steering protocol, D(z) and w(z) for water permeating a dipalmitoylphosphatidylcholine (DPPC) bilayer were determined. The potential of mean force is shown to have a barrier of peak height, wmax/(kBT)=8.4, with a width of about 10 Å on either side from the membrane center. The diffusion constant is shown to be highest in the core region of the membrane [peak value ˜(8.0±0.8)×10-5 cm2/s], lowest in the head-group region [minimum value ˜(2.0±0.3)×10-5 cm2/s], and to tend toward the bulk value as the water molecule leaves the membrane. The permeability coefficient P for H2O in DPPC was determined using the simulated D(z) and w(z) to give values of (0.129±0.075) cm/s at 323 K and (0.141±0.043) cm/s at 350 K. The results show more spatial detail than results presented in previous work while reducing the computational and user effort.

  17. Time-dependent diffusion coefficient as a probe of the permeability of the pore wall

    NASA Astrophysics Data System (ADS)

    Sen, Pabitra N.

    2003-11-01

    The time dependence of the mean-square displacement (or equivalently of the diffusion coefficient) in the presence of a permeable barrier can be used as a probe of the surface-to-volume ratio and permeability of a membrane. An exact, universal, short-time asymptotics in a pack of cells, assuming that the surfaces are locally smooth, shows that the effects of nonzero permeability appear as a correction to the diffusion coefficient that is linear in time, whereas the surface-to-volume ratio enters as a square root in time. With ? as the permeability of the membrane, we find, for the particles released inside the cells, DR,eff(t)=DR[1-(SR/VR){4?DR t/(9?? )-?t?DL (?DL +?DR )/(6DR)}]+⋯ . Here DR and DL are free (i.e., bulk) diffusion coefficients inside and outside of the cell, respectively, and SR/VR is the total internal surface divided by the total internal cell volume. The other terms linear in t that add to the right side of above equation are DR(SR/VR)[(1/6)?t-(1/12)DRt<(1/R1+1/R2)>R], where ? is a surface relaxation, which is generally negligible in biological samples, and <(1/R1+1/R2)>R is the average of the principal radii of curvatures over the interior surface. An equivalent expression for the particles starting outside the cell is obtained by swapping L?R. The NMR data on erthrocytes show that the effect of permeability can be significant within the time scales of measurement and hence ? is deducible from the data. The long-time behavior given previously [Proc. Natl. Acad. Sci. USA 92, 1229 (1994)] is augmented by giving a nonuniversal form that includes the rate of approach to this limit.

  18. Diffusion coefficients and dissociation constants of enhanced green fluorescent protein binding to free standing membranes

    PubMed Central

    Thomas, Franziska A.; Visco, Ilaria; Petrášek, Zden?k; Heinemann, Fabian; Schwille, Petra

    2015-01-01

    Recently, a new and versatile assay to determine the partitioning coefficient KP as a measure for the affinity of peripheral membrane proteins for lipid bilayers was presented in the research article entitled, “Introducing a fluorescence-based standard to quantify protein partitioning into membranes” [1]. Here, the well-characterized binding of hexahistidine-tag (His6) to NTA(Ni) was utilized. Complementarily, this data article reports the average diffusion coefficient D of His6-tagged enhanced green fluorescent protein (eGFP-His6) and the fluorescent lipid analog ATTO?647N?DOPE in giant unilamellar vesicles (GUVs) containing different amounts of NTA(Ni) lipids. In addition, dissociation constants Kd of the NTA(Ni)/eGFP-His6 system are reported. Further, a conversion between Kd and KP is provided. PMID:26587560

  19. Evaluation of the diffusion coefficient of fluorine during the electropolishing of niobium

    SciTech Connect

    Hui Tian, Charles E. Reece

    2010-08-01

    Future accelerators require unprecedented cavity performance, which is strongly influenced by interior surface nano-smoothness. Electropolishing (EP) is the technique of choice being developed for high–field SRF cavities. Previous study has shown that the mechanism of Nb electropolishing proceeds by formation and dissolution of a compact salt film under fluorine diffusion-limited mass transport control. We pursue an improved understanding of the microscopic conditions required for optimum surface finishing. The viscosity of the standard electrolyte has been measured using a commercial viscometer, and the diffusion coefficient of fluorine was derived at a variety of temperatures from 0ºC to 50ºC using an Nb rotating disk electrode. In addition, data indicate that electrode kinetics becomes competitive with the mass transfer current limitation and increases dramatically with temperature. These findings are expected to guide the optimization of EP process parameters for achieving controlled, reproducible and uniform nano-smooth surface finishing of SRF cavities.

  20. Diffraction gratings and diffusion coefficient determination of acrylamide and polyacrylamide in sol-gel glass

    NASA Astrophysics Data System (ADS)

    Blaya, S.; Murciano, A.; Acebal, P.; Carretero, L.; Ulibarrena, M.; Fimia, A.

    2004-06-01

    We describe the recording of holographic gratings in a photopolymerizable sol-gel glass based on acrylamide as monomer, triethanolamine as coinitiator, and yellowish eosin as photoinitiator. Although acrylic monomers have been introduced in silica glass by Cheben and Calvo [Appl. Phys. Lett. 78, 1490 (2001)], the well-known acrylamide based composition has not yet been produced by this method. Diffraction efficiencies close to 55% were obtained with an exposure of 8 mJ/cm2. The holographic gratings were not stable and we made use of this instability to determine the diffusion coefficients of acrylamide and polyacrylamide inside this glass.

  1. In Situ Raman Spectroscopic Study of the Diffusion Coefficients and Solubility:Indicates to Carbon Dioxide Injection into Hexadecane

    NASA Astrophysics Data System (ADS)

    Wu, Dan; Lu, Wanjun

    2015-04-01

    Injecting CO2 into lean-oil reservoirs is not only a way to geological storage but also enhanced oil recovery. In the secondary displacements of oil reservoir by CO2-injection, diffusion coefficients and solubility of CO2 are key parameters to calculate the volume of CO2 injected and the time to achieve the desired viscosity in the numerical simulation. Unfortunately, the experimental data on the CO2 diffusion coefficient and solubility in liquid hydrocarbons under high pressure conditions are scarce. Hexadecane has properties similar to the average properties of Brazilian heavy oil. Experimental data on the diffusion coefficients and solubility of CO2 in hexadecane were reviewed by Nieuwoudt and Rand (2002), Rincon and Trejo (2001) and Breman et al (1994), indicating that the data in the literature were limited at relatively low temperatures and/or low pressures. In this paper, the diffusion coefficients of carbon dioxide in hexadecane at different temperature and pressure were determined with in situ Raman spectroscopy. A model was established to describe relationship among diffusion coefficients, temperature, and pressure. The solubility of CO2 in hexadecane was obtained from 298.15 to 473.15 K and 10 to 45 MPa. The experimental results show that:(1) Solubility of CO2 decreases with increasing temperature.(2) Increasing pressure increases the CO2 solubility. in terms of the degree of influence,100K is similar with 10MPa.(3) Diffusion coefficients of CO2 increases with increasing temperature. (4) Increasing pressure decreases the CO2 diffusion coefficients, whereas the pressure effect on CO2 diffusion coefficients is very weak. Compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for solubility measurements eliminates possible uncertainty caused by sampling and ex situ analysis. (2) it is simple and efficient, and (3) high-pressure data can be obtained safely.

  2. Phospholipid Diffusion Coefficients of Cushioned Model Membranes determined via Z-Scan Fluorescence Correlation Spectroscopy

    PubMed Central

    Sterling, Sarah M.; Allgeyer, Edward S.; Fick, Jörg; Prudovsky, Igor; Mason, Michael D.; Neivandt, David J.

    2013-01-01

    Model cellular membranes enable the study of biological processes in a controlled environment and reduce the traditional challenges associated with live or fixed cell studies. However, model membrane systems based on the air/water or oil/solution interface do not allow for incorporation of transmembrane proteins, or for the study of protein transport mechanisms. Conversely, a phospholipid bilayer deposited via the Langmuir-Blodgett/Langmuir Schaefer method on a hydrogel layer is potentially an effective mimic of the cross-section of a biological membrane, and facilitates both protein incorporation and transport studies. Prior to application, however, such membranes must be fully characterized, particularly with respect to the phospholipid bilayer phase transition temperature. Here we present a detailed characterization of the phase transition temperature of the inner and outer leaflets of a chitosan supported model membrane system. Specifically, the lateral diffusion coefficient of each individual leaflet has been determined as a function of temperature. Measurements were performed utilizing z-scan fluorescence correlation spectroscopy (FCS), a technique that yields calibration-free diffusion information. Analysis via the method of Wawrezinieck and coworkers, revealed that phospholipid diffusion changes from raft-like to free diffusion as the temperature is increased; an insight into the dynamic behavior of hydrogel supported membranes not previously reported. PMID:23705855

  3. Scaling invariance of the diffusion coefficient in a family of two-dimensional Hamiltonian mappings

    NASA Astrophysics Data System (ADS)

    de Oliveira, Juliano A.; Dettmann, Carl P.; da Costa, Diogo R.; Leonel, Edson D.

    2013-06-01

    We consider a family of two-dimensional nonlinear area-preserving mappings that generalize the Chirikov standard map and model a variety of periodically forced systems. The action variable diffuses in increments whose phase is controlled by a negative power of the action and hence effectively uncorrelated for small actions, leading to a chaotic sea in phase space. For larger values of the action the phase space is mixed and contains a family of elliptic islands centered on periodic orbits and invariant Kolmogorov-Arnold-Moser (KAM) curves. The transport of particles along the phase space is considered by starting an ensemble of particles with a very low action and letting them evolve in the phase until they reach a certain height h. For chaotic orbits below the periodic islands, the survival probability for the particles to reach h is characterized by an exponential function, well modeled by the solution of the diffusion equation. On the other hand, when h reaches the position of periodic islands, the diffusion slows markedly. We show that the diffusion coefficient is scaling invariant with respect to the control parameter of the mapping when h reaches the position of the lowest KAM island.

  4. Retrieval of diffuse attenuation coefficient in the China seas from surface reflectance.

    PubMed

    Qiu, Zhongfeng; Wu, Tingting; Su, Yuanyuan

    2013-07-01

    Accurate estimation of the diffuse attenuation coefficient is important for our understanding the availability of light to underwater communities, which provide critical information for the China seas ecosystem. However, algorithm developments and validations of the diffuse attenuation coefficient in the China seas have been seldom performed before and therefore our knowledge on the quality of retrieval of the diffuse attenuate coefficient is poor. In this paper optical data at 306 sites collected in coastal waters of the China seas between July 2000 and February 2004 are used to evaluate three typical existing Kd(490) models. The in situ Kd(490) varied greatly among different sites from 0.029 m(-1) to 10.3 m(-1), with a mean of 0.92 ± 1.59 m(-1). Results show that the empirical model and the semi-analytical model significantly underestimate the Kd(490) value, with estimated mean values of 0.24 m(-1) and 0.5 m(-1), respectively. The combined model also shows significant differences when the in situ Kd(490) range from 0.2 m(-1) to 1 m(-1). Thus, the present study proposes that the three algorithms cannot be directly used to appropriately estimate Kd(490) in the turbid coastal waters of the China seas without a fine tuning for regional applications. In this paper, new Kd(490) algorithms are developed based on the semi-analytical retrieval of the absorption coefficient a(m(-1)) and the backscattering coefficient bb(m(-1)) from the reflectance at two wavelengths, 488 and 667 nm for the Moderate Resolution Imaging Spectroradiometer (MODIS) and 490 and 705 nm for the Medium Resolution Imaging Spectrometer (MERIS) applications, respectively. With the new approaches, the mean ratio and the relative percentage difference are 1.05 and 4.6%, respectively, based on an independent in situ data set. Furthermore, the estimates are reliable within a factor of 1.9 (95% confidence interval). Comparisons also show that the Kd(490) derived with the new algorithms are well correlated with the in situ measurements. Our results showed a good improvement in the estimation for Kd(490) using the new approaches, contrasting with existing empirical, semi-analytical and combined models. Therefore, we propose the new approaches for accurate retrieval of Kd(490) in the China seas. PMID:23842315

  5. Lateral diffusivity coefficients from the dynamics of a SF6 patch in a coastal environment

    NASA Astrophysics Data System (ADS)

    Kersalé, M.; Petrenko, A. A.; Doglioli, A. M.; Nencioli, F.; Bouffard, J.; Blain, S.; Diaz, F.; Labasque, T.; Quéguiner, B.; Dekeyser, I.

    2016-01-01

    The dispersion of a patch of the tracer sulfur hexafluoride (SF6) is used to assess the lateral diffusivity in the coastal waters of the western part of the Gulf of Lion (GoL), northwestern Mediterranean Sea, during the Latex10 experiment (September 2010). Immediately after the release, the spreading of the patch is associated with a strong decrease of the SF6 concentrations due to the gas exchange from the ocean to the atmosphere. This has been accurately quantified, evidencing the impact of the strong wind conditions during the first days of this campaign. Few days after the release, as the atmospheric loss of SF6 decreased, lateral diffusivity coefficient at spatial scales of 10 km has been computed using two approaches. First, the evolution of the patch with time was combined with a diffusion-strain model to obtain estimates of the strain rate (? = 2.5 10- 6 s- 1) and of the lateral diffusivity coefficient (Kh = 23.2 m2 s- 1). Second, a steady state model was applied, showing Kh values similar to the previous method after a period of adjustment between 2 and 4.5 days. This implies that after such period, our computation of Kh becomes insensitive to the inclusion of further straining of the patch. Analysis of sea surface temperature satellite imagery shows the presence of a strong front in the study area. The front clearly affected the dynamics within the region and thus the temporal evolution of the patch. Our results are consistent with previous studies in open ocean and demonstrate the success and feasibility of those methods also under small-scale, rapidly-evolving dynamics typical of coastal environments.

  6. Ab initio transport coefficients of Ar? ions in Ar for cold plasma jet modeling.

    PubMed

    Chicheportiche, A; Lepetit, B; Gadéa, F X; Benhenni, M; Yousfi, M; Kalus, R

    2014-06-01

    Collision cross sections and transport coefficients are calculated for Ar{+} ions, in the ground state {2}P_{3/2} and in the metastable state {2}P_{1/2}, colliding with their parent gas. Differential and integral collision cross sections are obtained using a numerical integration of the nuclear Schrödinger equation for several published interaction potentials. The Cohen-Schneider semi-empirical model is used for the inclusion of the spin-orbit interaction. The corresponding differential collision cross sections are then used in an optimized Monte Carlo code to calculate the ion transport coefficients for each initial ion state over a wide range of reduced electric field. Ion swarm data results are then compared with available experimental data for different proportions of ions in each state. This allows us to identify the most reliable interaction potential which reproduces ion transport coefficients falling within the experimental error bars. Such ion transport data will be used in electrohydrodynamic and chemical kinetic models of the low temperature plasma jet to quantify and to tune the active species production for a better use in biomedical applications. PMID:25019899

  7. New type of metal ion source: Surface diffusion Li{sup +} ion source

    SciTech Connect

    Medvedev, V.K.; Suchorski, Y.; Block, J.H.

    1995-03-01

    A surface diffusion metal ion source, a new type of metal ion source, is explored. In this device a field desorption process is used to achieve an almost monoenergetic continuous flux of Li{sup +} ions from a [111]-oriented W field emitter. Earlier difficulties with the continuous supply of adatoms, required to produce measurable desorption rates, were overcome by making use of solid state surface diffusion from the Li multilayer reservoir at the shank of the field emitter. The high density of the ion beam (an ion current of 10{sup {minus}12} A was achieved from a W trimer), the extremely narrow energy distribution (full width at half-maximum of 0.25 eV) and the stable geometric form of the emitter itself during the operation are advantages of the new ion source which may be important in different areas of nanotechnology. {copyright} {ital 1995} {ital American} {ital Vacuum} {ital Society}

  8. Measurements of low energy hydrogen ion effective sticking coefficients on titanium in the Wisconsin Levitated Octupole

    SciTech Connect

    Garner, H.; Post, R. S.

    1981-02-01

    The effective sticking coefficient for low energy (< 30 eV) hydrogen ions on titanium gettered aluminium walls has been measured in the Wisconsin Levitated Octupole. A value of greater than 0.75 was measured. The H/sub 2/ effective sticking coefficient for the same conditions is less than 0.01. Seventy-four percent of the wall area of the Octupole is gettered. The effects of recycling on plasma parameters is also discussed.

  9. Effect of elemental diffusion on temperature coefficient of piezoelectric properties in KNN-based lead-free composites

    E-print Network

    Hong, Soon Hyung

    candidate owing to their excellent piezoelectric properties and high Curie temperature (TC) [1­14]. HoweverLETTER Effect of elemental diffusion on temperature coefficient of piezoelectric properties in KNN of temperature in KNN- based ceramics. As seen in Fig. 1a, high temperature coefficient of piezoelectric

  10. 728 IEEE TRANSACTIONS ON PLASMA SCIENCE, VOL. 34, NO. 3, JUNE 2006 The Electron Diffusion Coefficient in Energy

    E-print Network

    Kaganovich, Igor

    Coefficient in Energy in Bounded Collisional Plasmas Lev D. Tsendin Abstract--The electron energies in typical, the momentum relaxation in collisions with neutrals is sig- nificantly faster than the energy relaxation due be de- scribed by a diffusion coefficient in energy . Both collisional and stochastic heating mechanisms

  11. Effective Diffusion Coefficient and Controlling Process of P Diffusion in Si Based on the Pair Diffusion Models of Vacancy and Interstitial Mechanisms

    NASA Astrophysics Data System (ADS)

    Yoshida, Masayuki; Morooka, Masami; Takahashi, Manabu; Tomokage, Hajime

    2000-05-01

    Based on the pair diffusion models of vacancy and interstitial (V and I) mechanisms, the V and I components of effective P diffusion coefficient, DP^+,Veff and DP^+,Ieff, and the controlling process of P diffusion in Si are obtained. Assuming that the I mechanism is dominant, not only the I- concentration, CI^-, but also its gradient, d CI^-/d ? , is effective on DP^+,Ieff at high CP^+. DP^+,Ieff is large at d CI^-/d ? <0 and small at d CI^-/d ? >0. P+ and I- are generated by the dissociation of P-I pair. When excess I- thus generated is removed, d CI^-/d ? <0 is obtained. d CI^-/d ? <0 is also obtained by the decrease in quasi self-interstitial formation energy. Several diffusion models simulate the P diffusion profile well under an inert atmosphere. Applying the controlling process to them, the reason why they simulate the P profile well is investigated. Because all of them simulate the P profile well, it is difficult to conclude which model is correct. It is suggested that it is possible to conclude which model is correct from the P profile under oxidation at CP^+s >1× 1020 cm-3 (s: surface).

  12. Comparison of [corrected] actin- and glass-supported phospholipid bilayer diffusion coefficients.

    PubMed

    Sterling, Sarah M; Dawes, Ryan; Allgeyer, Edward S; Ashworth, Sharon L; Neivandt, David J

    2015-04-21

    The formation of biomimetic lipid membranes has the potential to provide insights into cellular lipid membrane dynamics. The construction of such membranes necessitates not only the utilization of appropriate lipids, but also physiologically relevant substrate/support materials. The substrate materials employed have been shown to have demonstrable effects on the behavior of the overlying lipid membrane, and thus must be studied before use as a model cushion support. To our knowledge, we report the formation and investigation of a novel actin protein-supported lipid membrane. Specifically, inner leaflet lateral mobility of globular actin-supported DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine) bilayers, deposited via the Langmuir-Blodgett/Langmuir Schaefer methodology, was investigated by z-scan fluorescence correlation spectroscopy across a temperature range of 20-44°C. The actin substrate was found to decrease the diffusion coefficient when compared to an identical membrane supported on glass. The depression of the diffusion coefficient occurred across all measured temperatures. These results indicated that the actin substrate exerted a direct effect on the fluidity of the lipid membrane and highlighted the fact that the choice of substrate/support is critical in studies of model lipid membranes. PMID:25902434

  13. Microscopic calculations of local lipid membrane permittivities and diffusion coefficients for application to electroporation analyses.

    PubMed

    Joshi, R P; Sridhara, V; Schoenbach, K H

    2006-09-22

    Interaction of electric fields with biological systems has begun to receive considerable attention for applications that include field-assisted drug delivery, medical interventions, and genetic engineering. External fields induce the strongest effects at membranes with electroporation being a common feature. Membrane transport in this context of poration is often based on continuum approaches utilizing macroscopic parameters such as the permittivity, diffusion coefficients, and mobilities. In such modeling, field dependences, local inhomogeneities, and microscopic details are usually ignored. Here, a molecular dynamics (MD) scheme is used for a more rigorous and physically realistic evaluation of such parameters for potential application to electroporative transport model development. A suitable membrane structure containing a nanopore derived from MD analysis is used as the initial geometric configuration. Both static and frequency dependent diffusion coefficients have been evaluated. Permittivities are also calculated and shown to be dramatically non-uniform in the vicinity of membranes under high external fields. A positive feedback mechanism leading to enhanced membrane fields is discussed. PMID:16890913

  14. A comparison study of linear reconstruction techniques for diffuse optical tomographic imaging of absorption coefficient.

    PubMed

    Gaudette, R J; Brooks, D H; DiMarzio, C A; Kilmer, M E; Miller, E L; Gaudette, T; Boas, D A

    2000-04-01

    We compare, through simulations, the performance of four linear algorithms for diffuse optical tomographic reconstruction of the three-dimensional distribution of absorption coefficient within a highly scattering medium using the diffuse photon density wave approximation. The simulation geometry consisted of a coplanar array of sources and detectors at the boundary of a half-space medium. The forward solution matrix is both underdetermined, because we estimate many more absorption coefficient voxels than we have measurements, and ill-conditioned, due to the ill-posedness of the inverse problem. We compare two algebraic techniques, ART and SIRT, and two subspace techniques, the truncated SVD and CG algorithms. We compare three-dimensional reconstructions with two-dimensional reconstructions which assume all inhomogeneities are confined to a known horizontal slab, and we consider two 'object-based' error metrics in addition to mean square reconstruction error. We include a comparison using simulated data generated using a different FDFD method with the same inversion algorithms to indicate how our conclusions are affected in a somewhat more realistic scenario. Our results show that the subspace techniques are superior to the algebraic techniques in localization of inhomogeneities and estimation of their amplitude, that two-dimensional reconstructions are sensitive to underestimation of the object depth, and that an error measure based on a location parameter can be a useful complement to mean squared error. PMID:10795991

  15. Group Analysis of Variable Coefficient Diffusion--Convection Equations. III. Conservation Laws

    E-print Network

    N. M. Ivanova; R. O. Popovych; C. Sophocleous

    2007-10-16

    The notions of generating sets of conservation laws of systems of differential equations with respect to symmetry groups and equivalence groups are introduced and applied. This allows us to generalize essentially the procedure of finding potential symmetries for the systems with multidimensional spaces of conservation laws. A class of variable coefficient (1+1)-dimensional nonlinear diffusion-convection equations of general form $f(x)u_t=(g(x)A(u)u_x)_x+h(x)B(u)u_x$ is investigated. Using the most direct method, we carry out two classifications of local conservation laws up to equivalence relations generated by both usual and enhanced equivalence groups. Equivalence with respect to $\\hat G^{\\sim}$ and correct choice of gauge coefficients of equations play the major role for simple and clear formulation of the final results. The notion of contractions of conservation laws and one of characteristics of conservation laws are introduced and contractions of conservation laws of diffusion-convection equations are found.

  16. Effect of cation on diffusion coefficient of ionic liquids at onion-like carbon electrodes

    NASA Astrophysics Data System (ADS)

    Van Aken, Katherine L.; McDonough, John K.; Li, Song; Feng, Guang; Chathoth, Suresh M.; Mamontov, Eugene; Fulvio, Pasquale F.; Cummings, Peter T.; Dai, Sheng; Gogotsi, Yury

    2014-07-01

    While most supercapacitors are limited in their performance by the stability of the electrolyte, using neat ionic liquids (ILs) as the electrolyte can expand the voltage window and temperature range of operation. In this study, ILs with bis(trifluoromethylsulfonyl)imide (Tf2N) as the anion were investigated as the electrolyte in onion-like carbon-based electrochemical capacitors. To probe the influence of cations on the electrochemical performance of supercapacitors, three different cations were used: 1-ethyl-3-methylimidazolium, 1-hexyl-3-methylimidazolium and 1,6-bis(3-methylimidazolium-1-yl). A series of electrochemical characterization tests was performed using cyclic voltammetry (CV), galvanostatic cycling and electrochemical impedance spectroscopy (EIS). Diffusion coefficients were measured using EIS and correlated with quasielastic neutron scattering and molecular dynamics simulation. These three techniques were used in parallel to confirm a consistent trend between the three ILs. It was found that the IL with the smaller sized cation had a larger diffusion coefficient, leading to a higher capacitance at faster charge-discharge rates. Furthermore, the IL electrolyte performance was correlated with increasing temperature, which limited the voltage stability window and led to the formation of a solid electrolyte interphase on the carbon electrode surface, evident in both the CV and EIS experiments.

  17. Quantification of diffusion-weighted images (DWI) and apparent diffusion coefficient maps (ADC) in the detection of acute stroke

    NASA Astrophysics Data System (ADS)

    Tulipano, P. Karina; Millar, William S.; Imielinska, Celina; Liu, Xin; Rosiene, Joel; D'Ambrosio, Anthony L.

    2006-03-01

    Magnetic resonance (MR) imaging is an imaging modality that is used in the management and diagnosis of acute stroke. Common MR imaging techniques such as diffusion weighted imaging (DWI) and apparent diffusion coefficient maps (ADC) are used routinely in the diagnosis of acute infarcts. However, advances in radiology information systems and imaging protocols have led to an overload of image information that can be difficult to manage and time consuming. Automated techniques to assist in the identification of acute ischemic stroke can prove beneficial to 1) the physician by providing a mechanism for early detection and 2) the patient by providing effective stroke therapy at an early stage. We have processed DW images and ADC maps using a novel automated Relative Difference Map (RDM) method that was tailored to the identification and delineation of the stroke region. Results indicate that the technique can delineate regions of acute infarctions on DW images and ADC maps. A formal evaluation of the RDM algorithm was performed by comparing accuracy measurements between 1) expert generated ground truths with the RDM delineated DWI infarcts and 2) RDM delineated DWI infarcts with RDM delineated ADC infarcts. The accuracy measurements indicate that the RDM delineated DWI infarcts are comparable to the expert generated ground truths. The true positive volume fraction value (TPVF), between RDM delineated DWI and ADC infarcts, is nonzero for all cases with an acute infarct while the value for non-acute cases remains zero.

  18. In-situ estimate of submesoscale horizontal eddy diffusion coefficients across a front

    NASA Astrophysics Data System (ADS)

    Nencioli, Francesco; d'Ovidio, Francesco; Doglioli, Andrea; Petrenko, Anne

    2013-04-01

    Fronts, jets and eddies are ubiquitous features of the world oceans, and play a key role in regulating energy budget, heat transfer, horizontal and vertical transport, and biogeochemical processes. Although recent advances in computational power have favored the analysis of mesoscale and submesoscale dynamics from high-resolution numerical simulations, studies from in-situ observations are still relatively scarce. The small dimensions and short duration of such structures still pose major challenges for fine-scale dedicated field experiments. As a consequence, in-situ quantitative estimates of key physical parameters for high-resolution numerical models, such as horizontal eddy diffusion coefficients, are still lacking. The Latex10 campaign (September 1-24, 2010), within the LAgrangian Transport EXperiment (LATEX), adopted an adaptive sampling strategy that included satellite data, ship-based current measurements, and iterative Lagrangian drifter releases to successfully map coherent transport structures in the western Gulf of Lion. Comparisons with AVHRR imagery evidenced that the detected structures were associated with an intense frontal feature, originated by the convergence and subsequent stirring of colder coastal waters with warmer open-sea waters. We present a method for computing horizontal eddy diffusion coefficients by combining the stirring rates estimated from the Lagrangian drifter trajectories with the shapes of the surface temperature and salinity gradient (assumed to be at the equilibrium) from the ship thermosalinograph. The average value we obtained from various sections across the front is 2.5 m2s-1, with horizontal scales (width of the front) ranging between 0.5 and 2.5 km. This is in line with the values commonly used for high-resolution numerical simulations. Further field experiment will be required to extend the results to different ocean regions and regimes, and to thoroughly test the robustness of the equilibrium hypothesis. Remote sensed measurements of sea surface temperature and elevation could also be used to compute fine-scale horizontal eddy diffusion coefficients over larger areas and for different ocean regions. However, the coarse resolution of current sea surface topography observations, and their unreliability over coastal regions, represent important limitations for this type of application. The velocity fields provided by the SWOT mission will allow to retrieve accurate high-resolution stirring rates across the ocean. Combining these rates with remote-sensed SST gradients will make possible to extend our analysis and investigate patterns and variability of submesoscale horizontal eddy diffusion at the global scale.

  19. Radon (222Rn) in ground water of fractured rocks: a diffusion/ion exchange model.

    PubMed

    Wood, Warren W; Kraemer, Thomas F; Shapiro, Allen

    2004-01-01

    Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion-exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42 degrees 56'N, 71 degrees 43'W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model. PMID:15318778

  20. Radon (222Rn) in ground water of fractured rocks: A diffusion/ion exchange model

    USGS Publications Warehouse

    Wood, W.W.; Kraemer, T.F.; Shapiro, A.

    2004-01-01

    Ground waters from fractured igneous and high-grade sialic metamorphic rocks frequently have elevated activity of dissolved radon (222Rn). A chemically based model is proposed whereby radium (226Ra) from the decay of uranium (238U) diffuses through the primary porosity of the rock to the water-transmitting fracture where it is sorbed on weathering products. Sorption of 226Ra on the fracture surface maintains an activity gradient in the rock matrix, ensuring a continuous supply of 226Ra to fracture surfaces. As a result of the relatively long half-life of 226Ra (1601 years), significant activity can accumulate on fracture surfaces. The proximity of this sorbed 226Ra to the active ground water flow system allows its decay progeny 222Rn to enter directly into the water. Laboratory analyses of primary porosity and diffusion coefficients of the rock matrix, radon emanation, and ion exchange at fracture surfaces are consistent with the requirements of a diffusion/ion- exchange model. A dipole-brine injection/withdrawal experiment conducted between bedrock boreholes in the high-grade metamorphic and granite rocks at the Hubbard Brook Experimental Forest, Grafton County, New Hampshire, United States (42??56???N, 71??43???W) shows a large activity of 226Ra exchanged from fracture surfaces by a magnesium brine. The 226Ra activity removed by the exchange process is 34 times greater than that of 238U activity. These observations are consistent with the diffusion/ion-exchange model. Elutriate isotopic ratios of 223Ra/226Ra and 238U/226Ra are also consistent with the proposed chemically based diffusion/ion-exchange model.

  1. Measurement of the dimensionless extinction coefficient of soot within laminar diffusion flames.

    SciTech Connect

    Suo-Anttila, Jill Marie; Williams, Timothy C.; Shaddix, Christopher R.; Jensen, Kirk A.

    2005-01-01

    The dimensionless extinction coefficient (K{sub e}) of soot must be known to quantify laser extinction measurements of soot concentration and to predict optical attenuation through smoke clouds. Previous investigations have measured K{sub e} for post-flame soot emitted from laminar and turbulent diffusion flames and smoking laminar premixed flames. This paper presents the first measurements of soot K{sub e} from within laminar diffusion flames, using a small extractive probe to withdraw the soot from the flame. To measure K{sub e}, two laser sources (635 nm and 1310 nm) were coupled to a transmission cell, followed by gravimetric sampling. Coannular diffusion flames of methane, ethylene and nitrogen-diluted kerosene burning in air were studied, together with slot flames of methane and ethylene. K{sub e} was measured at the radial location of maximum soot volume fraction at several heights for each flame. Results for K{sub e} at both 635 nm and 1310 nm for ethylene and kerosene coannular flames were in the range of 9-10, consistent with the results from previous studies of post-flame soot. The ethylene slot flame and the methane flames have lower K{sub e} values, in some cases as low as 2.0. These lower values of K{sub e} are found to result from the contributions of (a) the condensation of PAH species during the sampling of soot, (b) the wavelength-dependent absorptivity of soot precursor particles, and, in the case of methane, (c) the negligible contribution of soot scattering to the extinction coefficient. RDG calculations of soot scattering, in combination with the measured K{sub e} values, imply that the soot refractive index is in the vicinity of 1.75-1.03i at 635 nm.

  2. Self-diffusion coefficients for water and organic solvents at high temperatures along the coexistence curve

    NASA Astrophysics Data System (ADS)

    Yoshida, Ken; Matubayasi, Nobuyuki; Nakahara, Masaru

    2008-12-01

    The self-diffusion coefficients D for water, benzene, and cyclohexane are determined by using the pulsed-field-gradient spin echo method in high-temperature conditions along the liquid branch of the coexistence curve: 30-350 °C (1.0-0.58 g cm-3), 30-250 °C (0.87-0.56 g cm-3), and 30-250 °C (0.77-0.48 g cm-3) for water, benzene, and cyclohexane, respectively. The temperature and density effects are separated and their origins are discussed by examining the diffusion data over a wide range of thermodynamic states. The temperature dependence of the self-diffusion coefficient for water is larger than that for organic solvents due to the large contribution of the attractive hydrogen-bonding interaction in water. The density dependence is larger for organic solvents than for water. The difference is explained in terms of the van der Waals picture that the structure of nonpolar organic solvents is determined by the packing effect due to the repulsion or exclusion volumes. The dynamic solvation shell scheme [K. Yoshida et al., J. Chem. Phys. 127, 174509 (2007)] is applied for the molecular interpretation of the translational dynamics with the aid of molecular dynamics simulation. In water at high temperatures, the velocity relaxation is not completed before the relaxation of the solvation shell (mobile-shell type) as a result of the breakdown of the hydrogen-bonding network. In contrast, the velocity relaxation of benzene is rather confined within the solvation shell (in-shell type).

  3. A non-perturbative estimate of the heavy quark momentum diffusion coefficient

    E-print Network

    A. Francis; O. Kaczmarek; M. Laine; T. Neuhaus; H. Ohno

    2015-08-19

    We estimate the momentum diffusion coefficient of a heavy quark within a pure SU(3) plasma at a temperature of about 1.5Tc. Large-scale Monte Carlo simulations on a series of lattices extending up to 192^3*48 permit us to carry out a continuum extrapolation of the so-called colour-electric imaginary-time correlator. The extrapolated correlator is analyzed with the help of theoretically motivated models for the corresponding spectral function. Evidence for a non-zero transport coefficient is found and, incorporating systematic uncertainties reflecting model assumptions, we obtain kappa = (1.8 - 3.4)T^3. This implies that the "drag coefficient", characterizing the time scale at which heavy quarks adjust to hydrodynamic flow, is (1.8 - 3.4) (Tc/T)^2 (M/1.5GeV) fm/c, where M is the heavy quark kinetic mass. The results apply to bottom and, with somewhat larger systematic uncertainties, to charm quarks.

  4. Diffusion-weighted imaging in the head and neck region: usefulness of apparent diffusion coefficient values for characterization of lesions

    PubMed Central

    ?erifo?lu, ?smail; Oz, ?brahim ?lker; Damar, Murat; Tokgöz, Özlem; Yazgan, Ömer; Erdem, Zuhal

    2015-01-01

    PURPOSE We aimed to evaluate the role of apparent diffusion coefficient (ADC) values calculated from diffusion-weighted imaging for head and neck lesion characterization in daily routine, in comparison with histopathological results. METHODS Ninety consecutive patients who underwent magnetic resonance imaging (MRI) at a university hospital for diagnosis of neck lesions were included in this prospective study. Diffusion-weighted echo-planar MRI was performed on a 1.5 T unit with b factor of 0 and 1000 s/mm2 and ADC maps were generated. ADC values were measured for benign and malignant whole lesions seen in daily practice. RESULTS The median ADC value of the malignant tumors and benign lesions were 0.72×10?3 mm2/s, (range, 0.39–1.51×10?3 mm2/s) and 1.17×10?3 mm2/s, (range, 0.52–2.38×10?3 mm2/s), respectively, with a significant difference between them (P < 0.001). A cutoff ADC value of 0.98×10?3 mm2/s was used to distinguish between benign and malignant lesions, yielding 85.3% sensitivity and 78.6% specificity. The median ADC value of lymphomas (0.44×10?3 mm2/s; range, 0.39–0.58×10?3 mm2/s) was significantly smaller (P < 0.001) than that of squamous cell carcinomas (median ADC value 0.72×10?3 mm2/s; range, 0.65–1.06×10?3 mm2/s). There was no significant difference between median ADC values of inflammatory (1.13×10?3 mm2/s; range, 0.85–2.38×10?3 mm2/s) and noninflammatory benign lesions (1.26×10?3 mm2/s; range, 0.52–2.33×10?3 mm2/s). CONCLUSION Diffusion-weighted imaging and the ADC values can be used to differentiate and characterize benign and malignant head and neck lesions. PMID:25910284

  5. Diffusion of a Highly-Charged Supramolecular Assembly: Direct Observation of Ion-Association in Water

    SciTech Connect

    University of California, Berkeley; Lawrence Berkeley National Laboratory; Raymond, Kenneth; Pluth, Michael D.; Tiedemann, Bryan E.F.; van Halbeek, Herman; Nunlist, Rudi; Raymond, Kenneth N.

    2007-10-22

    Understanding the solution behavior of supramolecular assemblies is essential for a full understanding of the formation and chemistry of synthetic host-guest systems. While the interaction between host and guest molecules is generally the focus of mechanistic studies of host-guest complexes, the interaction of the host-guest complex with other species in solution remains largely unknown, although in principle accessible by diffusion studies. Several NMR techniques are available to monitor diffusion and have recently been reviewed. Pulsed gradient spin-echo (PGSE) NMR methods have attracted increasing interest, since they allow diffusion coefficients to be measured with high accuracy; they have been successfully used with observation of {sup 7}Li and {sup 31}P nuclei as well as with {sup 1}H NMR. We report here the direct measurement of diffusion coefficients to observe ion-association interactions by counter cations with a highly-charged supramolecular assembly. Raymond and coworkers have described the design and chemistry of a class of metal-ligand supramolecular assemblies over the past decade. The [Ga{sub 4}L{sub 6}]{sup 12-} (L = 1,5-bis(2,3-dihydroxybenzamido)naphthalene) (1) (Figure 1) assembly has garnered the most attention, with the exploration of the dynamics and mechanism of guest exchange as well as the ability of 1 to achieve either stoichiometric or catalytic reactions inside its interior cavity. Recent studies have revealed the importance of counter cations in solution on the chemistry of 1. During the mechanistic study of the C-H bond activation of aldehydes by [Cp*Ir(PMe{sub 3})(olefin){sup +} {contained_in} 1]{sup 11-} a stepwise guest dissociation mechanism with an ion-paired intermediate was proposed. Similarly, in the mechanism for the hydrolysis of iminium cations generated from the 3-aza Cope rearrangement of enammonium cations in 1, the presence of an exterior ion association was part of the kinetic model. To further substantiate the indirect kinetic evidence for such ion-paired species, we sought to explore the solution behavior of 1 by studying the diffusion of 1 with varying alkali and tetraalkyl ammonium cations. For large molecules in solution, such as synthetic supramolecular assemblies, the diffusion behavior of host and guest molecules can provide valuable information on host-guest interaction. One characteristic feature of a stable host-guest complex is that the host and guest molecules diffuse at the same rate in solution; this has been observed in a number of supramolecular systems. In order to confirm that this system was suitable for study by diffusion NMR spectroscopy, a PGSE-DOSY spectrum was acquired of [NEt{sub 4} {contained_in} 1]{sup 11-} (Figure 2), which shows that the host and guest molecules diffuse at the same rate. Quantitative analysis of the data, from monitoring the integral of host and guest resonances as a function of applied gradient strength, gave identical diffusion coefficients, confirming that the host and guest molecules diffuse together.

  6. Modeling Diffusion Induced Stresses for Lithium-Ion Battery Materials

    NASA Astrophysics Data System (ADS)

    Chiu Huang, Cheng-Kai

    Advancing lithium-ion battery technology is of paramount importance for satisfying the energy storage needs in the U.S., especially for the application in the electric vehicle industry. To provide a better acceleration for electric vehicles, a fast and repeatable discharging rate is required. However, particle fractures and capacity loss have been reported under high current rate (C-rate) during charging/discharging and after a period of cycling. During charging and discharging, lithium ions extract from and intercalate into electrode materials accompanied with the volume change and phase transition between Li-rich phase and Li-poor phase. It is suggested that the diffusion-induced-stress is one of the main reasons causing capacity loss due to the mechanical degradation of electrode particles. Therefore, there is a fundamental need to provide a mechanistic understanding by considering the structure-mechanics-property interactions in lithium-ion battery materials. Among many cathode materials, the olivine-based lithium-iron-phosphate (LiFePO4) with an orthorhombic crystal structure is one of the promising cathode materials for the application in electric vehicles. In this research we first use a multiphysic approach to investigate the stress evolution, especially on the phase boundary during lithiation in single LiFePO4 particles. A diffusion-controlled finite element model accompanied with the experimentally observed phase boundary propagation is developed via a finite element package, ANSYS, in which lithium ion concentration-dependent anisotropic material properties and volume misfits are incorporated. The stress components on the phase boundary are used to explain the Mode I, Mode II, and Mode III fracture propensities in LiFePO4 particles. The elastic strain energy evolution is also discussed to explain why a layer-by-layer lithium insertion mechanism (i.e. first-order phase transformation) is energetically preferred. Another importation issue is how current rate (C-rate) during charging/discharging affects diffusion induced stresses inside electrode materials. For the experimental part we first conduct charging/discharging under different C-rates to observe the voltage responses for commercial LiFePO4 batteries. Then Time-of-Flight Secondary Ion Mass Spectrometry technique is applied to measure the lithium ion intensities in different C-rate charged/discharged samples. These experimental results could be used to support that a more significant voltage fluctuation under high C-rates is due to different lithium insertion mechanisms, rather than the amount of lithium ions intercalated into electrode materials. Thus the investigation of C-rate-dependent stress evolution is required for the development of a more durable lithium ion battery. In this dissertation, we extend the single particle finite element model to investigate the C-rate-dependent diffusion induced stresses in a multi-particle system. Concentration dependent anisotropic material properties, C-rate-dependent volume misfits and concentration dependent Li-ion diffusivity are incorporated in the model. The concentration gradients, diffusion induced stresses, and strain energies under different C-rates are discussed in this study. Particle fractures have been observed in many experimental results, in this study we further discuss the effect of the crack surface orientation on the lithium concentration profile and stress level in cathode materials. The results of this dissertation provide a better understanding of diffusion induced stresses in electrode materials and contribute to our fundamental knowledge of interplay between lithium intercalations, stress evolutions, particle fractures and the capacity fade in lithium-ion batteries.

  7. Temperature Activated Diffusion of Radicals through Ion Implanted Polymers.

    PubMed

    Wakelin, Edgar A; Davies, Michael J; Bilek, Marcela M M; McKenzie, David R

    2015-12-01

    Plasma immersion ion implantation (PIII) is a promising technique for immobilizing biomolecules on the surface of polymers. Radicals generated in a subsurface layer by PIII treatment diffuse throughout the substrate, forming covalent bonds to molecules when they reach the surface. Understanding and controlling the diffusion of radicals through this layer will enable efficient optimization of this technique. We develop a model based on site to site diffusion according to Fick's second law with temperature activation according to the Arrhenius relation. Using our model, the Arrhenius exponential prefactor (for barrierless diffusion), D0, and activation energy, EA, for a radical to diffuse from one position to another are found to be 3.11 × 10(-17) m(2) s(-1) and 0.31 eV, respectively. The model fits experimental data with a high degree of accuracy and allows for accurate prediction of radical diffusion to the surface. The model makes useful predictions for the lifetime over which the surface is sufficiently active to covalently immobilize biomolecules and it can be used to determine radical fluence during biomolecule incubation for a range of storage and incubation temperatures so facilitating selection of the most appropriate parameters. PMID:26562064

  8. Nanoscale Diblock Copolymer Micelles: Characterizations and Estimation of the Effective Diffusion Coefficients of Biomolecules Release through Cylindrical Diffusion Model

    PubMed Central

    Amjad, M. Wahab; Mohd Amin, Mohd Cairul I.; Mahali, Shalela M.; Katas, Haliza; Ismail, Ismanizan; Hassan, M. Naeem ul; Chuang, Victor T. Giam

    2014-01-01

    Biomolecules have been widely investigated as potential therapeutics for various diseases. However their use is limited due to rapid degradation and poor cellular uptake in vitro and in vivo. To address this issue, we synthesized a new nano-carrier system comprising of cholic acid-polyethylenimine (CA-PEI) copolymer micelles, via carbodiimide-mediated coupling for the efficient delivery of small interfering ribonucleic acid (siRNA) and bovine serum albumin (BSA) as model protein. The mean particle size of siRNA- or BSA-loaded CA-PEI micelles ranged from 100–150 nm, with zeta potentials of +3-+11 mV, respectively. Atomic force, transmission electron and field emission scanning electron microscopy demonstrated that the micelles exhibited excellent spherical morphology. No significant morphology or size changes were observed in the CA-PEI micelles after siRNA and BSA loading. CA-PEI micelles exhibited sustained release profile, the effective diffusion coefficients were successfully estimated using a mathematically-derived cylindrical diffusion model and the release data of siRNA and BSA closely fitted into this model. High siRNA and BSA binding and loading efficiencies (95% and 70%, respectively) were observed for CA-PEI micelles. Stability studies demonstrated that siRNA and BSA integrity was maintained after loading and release. The CA-PEI micelles were non cytotoxic to V79 and DLD-1 cells, as shown by alamarBlue and LIVE/DEAD cell viability assays. RT-PCR study revealed that siRNA-loaded CA-PEI micelles suppressed the mRNA for ABCB1 gene. These results revealed the promising potential of CA-PEI micelles as a stable, safe, and versatile nano-carrier for siRNA and the model protein delivery. PMID:25133390

  9. Helium diffusion coefficient measurements in R7T7 nuclear glass by 3He(d,?) 1H nuclear reaction analysis

    NASA Astrophysics Data System (ADS)

    Chamssedine, F.; Sauvage, T.; Peuget, S.; Fares, T.; Martin, G.

    2010-05-01

    The immobilization of fission products and minor actinides by vitrification is the reference process for industrial management of high-level radioactive wastes generated by spent fuel reprocessing. Radiation damage and radiogenic helium accumulation must be specifically studied to evaluate the effects of minor actinide alpha decay on the glass long-term behavior under repository conditions. A specific experimental study was conducted for a comprehensive evaluation of the behavior of helium and its diffusion mechanisms in borosilicate nuclear waste glass. Helium production was simulated by external implantation with 3He ions at a concentration (?1 at.%) 30 times higher than obtained after 10,000 years of storage. Helium diffusion coefficients as a function of temperature were extracted from the depth profiles after annealing. The 3He(d,?) 1H nuclear reaction analysis (NRA) technique was successfully adopted for low-temperature in situ measurements of depth profiles. Its high depth resolution revealed helium mobility at temperatures as low as 253 K and the presence of a trapped helium fraction. The diffusion coefficients of un-trapped helium atoms follow an Arrhenius law between 253 K and 323 K. An activation energy of 0.55 ± 0.03 eV was determined, which is consistent with a process controlled by diffusion in the glass free volume.

  10. Universality of Viscosity Dependence of Translational Diffusion Coefficients of Carbon Monoxide, Diphenylacetylene, and Diphenylcyclopropenone in Ionic Liquids under Various Conditions.

    PubMed

    Kimura, Y; Kida, Y; Matsushita, Y; Yasaka, Y; Ueno, M; Takahashi, K

    2015-06-25

    Translational diffusion coefficients of diphenylcyclopropenone (DPCP), diphenylacetylene (DPA), and carbon monoxide (CO) in 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([BMIm][NTf2]) and 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([EMIm][NTf2]) were determined by the transient grating (TG) spectroscopy under pressure from 0.1 to 200 MPa at 298 K and from 298 to 373 K under 0.1 MPa. Diffusion coefficients of these molecules at high temperatures in tributylmethylphosphonium bis(trifluoromethanesulfonyl)imide ([P4441][NTf2]), and tetraoctylphosphonium bis(trifluoromethanesulfonyl)imide ([P8888][NTf2]), and also in the mixtures of [BMIm][NTf2], N-methyl-N-propylpiperidinium bis(trifluoromethanesulfonyl)imide ([Pp13][NTf2]), and trihexyltetradecylphosphonium bis(trifluoromethanesulfonyl)imide ([P66614][NTf2]) with ethanol or chloroform have been determined. Diffusion coefficients except in ILs of phosphonium cations were well scaled by the power law of T/?, i.e., (T/?)(P), where T and ? are the absolute temperature and the viscosity, irrespective of the solvent species, pressure and temperature, and the compositions of mixtures. The values of the exponent P were smaller for the smaller size of the molecules. On the other hand, the diffusion coefficients in ILs of phosphonium cations with longer alkyl chains were larger than the values expected from the correlation obtained by other ILs and conventional liquids. The deviation becomes larger with increasing the number of carbon atoms of alkyl-chain of cation, and with decreasing the molecular size of diffusing molecules. The molecular size dependence of the diffusion coefficient was correlated by the ratio of the volume of the solute to that of the solvent as demonstrated by the preceding work (Kaintz et al., J. Phys. Chem. B 2013 , 117 , 11697 ). Diffusion coefficients have been well correlated with the power laws of both T/? and the relative volume of the solute to the solvent. PMID:26061826

  11. Proton Diffusion Coefficient in Electrospun Hybrid Membranes by Electrochemical Impedance Spectroscopy.

    PubMed

    Dos Santos, Leslie; Laberty-Robert, Christel; Maréchal, Manuel; Perrot, Hubert; Sel, Ozlem

    2015-09-15

    Electrochemical Impedance Spectroscopy (EIS) was, for the first time, used to estimate the global transverse proton diffusion coefficient, D(H+)(EHM), in electrospun hybrid conducting membranes (EHMs). In contrast to conventional impedance spectroscopy, EIS measurements were performed at room temperature with a liquid interface. In this configuration, the measure of the bulk proton transport is influenced by the kinetics of the transfer of proton at the solid/liquid interface. We demonstrated that the use of additives in the process of the membrane impacts the organization of the hydrophilic domains and also the proton transport. The D(H+)(EHM) is close to 1.10(-7) cm(2) s(-1) (± 0.1.10(-7) cm(2) s(-1)) for the EHMs without additive, whereas it is 4.10(-6) cm(2) s(-1) (± 0.4.10(-6) cm(2) s(-1)) for EHMs with additives. PMID:26322533

  12. Gamma convolution models for self-diffusion coefficient distributions in PGSE NMR

    NASA Astrophysics Data System (ADS)

    Röding, Magnus; Williamson, Nathan H.; Nydén, Magnus

    2015-12-01

    We introduce a closed-form signal attenuation model for pulsed-field gradient spin echo (PGSE) NMR based on self-diffusion coefficient distributions that are convolutions of n gamma distributions, n ? 1 . Gamma convolutions provide a general class of uni-modal distributions that includes the gamma distribution as a special case for n = 1 and the lognormal distribution among others as limit cases when n approaches infinity. We demonstrate the usefulness of the gamma convolution model by simulations and experimental data from samples of poly(vinyl alcohol) and polystyrene, showing that this model provides goodness of fit superior to both the gamma and lognormal distributions and comparable to the common inverse Laplace transform.

  13. Surface diffusion coefficient of Au atoms on single layer graphene grown on Cu

    SciTech Connect

    Ruffino, F. Cacciato, G.; Grimaldi, M. G.

    2014-02-28

    A 5?nm thick Au film was deposited on single layer graphene sheets grown on Cu. By thermal processes, the dewetting phenomenon of the Au film on the graphene was induced so to form Au nanoparticles. The mean radius, surface-to-surface distance, and surface density evolution of the nanoparticles on the graphene sheets as a function of the annealing temperature were quantified by scanning electron microscopy analyses. These quantitative data were analyzed within the classical mean-field nucleation theory so to obtain the temperature-dependent Au atoms surface diffusion coefficient on graphene: D{sub S}(T)=[(8.2±0.6)×10{sup ?8}]exp[?(0.31±0.02(eV)/(at) )/kT]?cm{sup 2}/s.

  14. ELECTRON-ION RECOMBINATION RATE COEFFICIENTS FOR C II FORMING C I

    SciTech Connect

    Ali, S.; Orban, I.; Mahmood, S.; Schuch, R.; Altun, Z.; Glans, P.

    2012-07-10

    We have determined absolute dielectronic recombination rate coefficients for C II, using the CRYRING heavy-ions storage ring. The resonances due to 2s-2p (n = 0) core excitations are detected in the center-of-mass energy range of 0-15 eV. The experimental results are compared with intermediate coupling AUTOSTRUCTURE calculations. Plasma rate coefficients are obtained from the DR spectrum by convoluting it with a Maxwell-Boltzmann energy distribution for temperatures in the range of 10{sup 3}-10{sup 6} K. The derived temperature-dependent plasma recombination rate coefficients are presented graphically and parameterized by using a fit formula for convenient use in plasma modeling codes. The experimental rate coefficients are also compared with the theoretical data available in literature. In the temperature range of 10{sup 3}-2 Multiplication-Sign 10{sup 4} K, our experimental results show that previous calculations severely underestimate the plasma rate coefficients and also our AUTOSTRUCTURE calculation does not reproduce the experimental plasma rate coefficients well. Above 2 Multiplication-Sign 10{sup 4} K, the agreement between the experimental and theoretical rate coefficients is much better, and the deviations are smaller than the estimated uncertainties.

  15. A uniqueness result for the identification of a time-dependent diffusion coefficient

    NASA Astrophysics Data System (ADS)

    Fraguela, A.; Infante, J. A.; Ramos, A. M.; Rey, J. M.

    2013-12-01

    This paper deals with the problem of determining the time-dependent thermal diffusivity coefficient of a medium, when the evolution of the temperature in a part of it is known. Such situations arise in the context of food technology, when thermal processes at high pressures are used for extending the shelf life of the food, in order to preserve its nutritional and organoleptic properties (Infante et al 2009 On the Modelling and Simulation of High Pressure Processes and Inactivation of Enzymes in Food Engineering pp 2203-29 and Otero et al 2007 J. Food Eng. 78 1463-70). The phenomenon is modeled by the heat equation involving a term which depends on the source temperature and pressure increase, and appropriate initial and boundary conditions. We study the inverse problem of determining time-dependent thermal diffusivities k, when some temperature measurements at the border and inside the medium are known. We prove the uniqueness of the inverse problem solution under suitable a priori assumptions on regularity, size and growth of k.

  16. Small effect of water on upper-mantle rheology based on silicon self-diffusion coefficients.

    PubMed

    Fei, Hongzhan; Wiedenbeck, Michael; Yamazaki, Daisuke; Katsura, Tomoo

    2013-06-13

    Water has been thought to affect the dynamical processes in the Earth's interior to a great extent. In particular, experimental deformation results suggest that even only a few tens of parts per million of water by weight enhances the creep rates in olivine by orders of magnitude. However, those deformation studies have limitations, such as considering only a limited range of water concentrations and very high stresses, which might affect the results. Rock deformation can also be understood as an effect of silicon self-diffusion, because the creep rates of minerals at temperatures as high as those in the Earth's interior are limited by self-diffusion of the slowest species. Here we experimentally determine the silicon self-diffusion coefficient DSi in forsterite at 8?GPa and 1,600?K to 1,800?K as a function of water content CH2O from less than 1 to about 800 parts per million of water by weight, yielding the relationship, DSi???(CH2O)(1/3). This exponent is strikingly lower than that obtained by deformation experiments (1.2; ref. 7). The high nominal creep rates in the deformation studies under wet conditions may be caused by excess grain boundary water. We conclude that the effect of water on upper-mantle rheology is very small. Hence, the smooth motion of the Earth's tectonic plates cannot be caused by mineral hydration in the asthenosphere. Also, water cannot cause the viscosity minimum zone in the upper mantle. And finally, the dominant mechanism responsible for hotspot immobility cannot be water content differences between their source and surrounding regions. PMID:23765497

  17. Diffusion coefficient of cyclic GMP in salamander rod outer segments estimated with two fluorescent probes.

    PubMed Central

    Olson, A; Pugh, E N

    1993-01-01

    Experiments have demonstrated that single photoisomerizations in amphibian and primate rods can cause the suppression of 3-5% of the dark circulating current at the response peak (Baylor, D. A., T. D. Lamb, and K. W. Yau. 1979. J. Physiol. (Lond.). 288:613-634; Baylor, D. A., B. J. Nunn, and J. L. Schnapf. 1984. J. Physiol. (Lond.). 357:575-607). These results indicate that the change in [cGMP] effected by a single isomerization must spread longitudinally over at least the corresponding fractional length of the outer segment. The effective longitudinal diffusion coefficient, Dx, of cGMP is thus an important determinant of rod sensitivity. We report here measurements of the effective longitudinal diffusion coefficients, Dx, of two fluorescently labeled molecules: 5/6-carboxyfluorescein and 8-(fluoresceinyl)thioguanosine 3',5'-cyclic monophosphate, introduced into detached outer segments via whole-cell patch electrodes. For these compounds, the average time for equilibration of the entire outer segment with the patch pipette was approximately 6 min. Fluorescence images of rods were analyzed with a one-dimensional diffusion model that included limitations on transfer between the electrode and outer segment and the effects of intracellular binding of the dyes. The analyses yielded estimates of Dx of 1.9 and 1.0 microns 2.s-1 for the two dyes. It is shown that these results place an upper limit on Dx for cGMP of 11 microns2.s-1. The actual value of Dx for cGMP in the rod will depend on the degree of intracellular binding of cGMP. Estimates of the effective buffering power for cGMP in the rod at rest range from two to six (Lamb and Pugh, 1992; Cote and Brunnock, 1993). When combined with these estimates, our results predict that for cGMP itself, Dx falls within the range of 1.4-5.5 microns 2.s-1. Images FIGURE 5 FIGURE 6 PMID:8241412

  18. A new approach to evaluating the effects of pharmacologic vitreolysis on vitreous diffusion coefficients using dynamic light scattering

    NASA Astrophysics Data System (ADS)

    Ansari, Rafat R.; Suh, Kwang I.; Sebag, J.

    2006-02-01

    PURPOSE: Pharmacologic vitreolysis is a new approach to improve vitreo-retinal surgery. Ultimately, the development of drugs to liquefy and detach vitreous from retina should prevent disease by mitigating the contribution of vitreous to retinopathy and eliminate the need for surgery. However, the mechanism of action of pharmacologic vitreolysis remains unclear. The technique of Dynamic light scattering (DLS) was used to evaluate the effects of microplasmin by following the diffusion coefficients of spherical polystyrene nano-particles injected with microplasmin into the vitreous. METHODS: Diffusion coefficients in dissected (n=9) porcine eyes were measured in vitro. DLS was performed on all specimens at 37°C as often as every 10 minutes for up to 6 hours following injections of human recombinant microplasmin at doses ranging from 0.125 mg to 0.8 mg, with 20 nm diameter tracer nanospheres. RESULTS: DLS findings in untreated porcine vitreous were similar to the previously described findings in bovine and human vitreous, demonstrating a fast (early) component, resulting from the flexible hyaluronan molecules, and a slow (late) component, resulting form the stiff collagen molecules. Microplasmin increased porcine vitreous diffusion coefficients. A new approach was developed to use DLS measurements of vitreous diffusion coefficients to evaluate the effects of microplasmin in intact eyes. CONCLUSIONS: Pharmacologic vitreolysis with human recombinant microplasmin increases vitreous diffusion coefficients in vitro. The results of these studies indicate that this new approach using DLS to measure vitreous diffusion coefficients can be used to study the effects of pharmacologic vitreolysis using microplasmin and other agents in intact eyes and ultimately in vivo.

  19. Preferential interaction coefficient for nucleic acids and other cylindrical poly-ions

    E-print Network

    E. Trizac; G. Tellez

    2007-04-04

    The thermodynamics of nucleic acid processes is heavily affected by the electric double-layer of micro-ions around the polyions. We focus here on the Coulombic contribution to the salt-polyelectrolyte preferential interaction (Donnan) coefficient and we report extremely accurate analytical expressions valid in the range of low salt concentration (when polyion radius is smaller than the Debye length). The analysis is performed at Poisson-Boltzmann level, in cylindrical geometry, with emphasis on highly charged poly-ions (beyond ``counter-ion condensation''). The results hold for any electrolyte of the form $z_-$:$z_+$. We also obtain a remarkably accurate expression for the electric potential in the vicinity of the poly-ion.

  20. Basic principles for the development of a common standardised method for determining the radon diffusion coefficient in waterproofing materials.

    PubMed

    Jiránek, Martin; Rovenská, Kate?ina

    2012-04-01

    Paper presents the principles for unified test methods for determining the radon diffusion coefficient in waterproof materials in order to increase the accuracy, repeatability and reproducibility of the results. We consider this very important, because an assessment of the radon diffusion coefficient is required by several national technical standards when waterproofing acts as a radon-proof membrane. The requirements for key parameters for one test method performed under non-stationary conditions and for two methods performed under stationary conditions are described in this paper. PMID:22245288

  1. Spatially resolved absolute diffuse reflectance measurements for noninvasive determination of the optical scattering and absorption coefficients of biological tissue

    NASA Astrophysics Data System (ADS)

    Kienle, Alwin; Lilge, Lothar; Patterson, Michael S.; Hibst, Raimund; Steiner, Rudolf; Wilson, Brian C.

    1996-05-01

    The absorption and transport scattering coefficients of biological tissues determine the radial dependence of the diffuse reflectance that is due to a point source. A system is described for making remote measurements of spatially resolved absolute diffuse reflectance and hence noninvasive, noncontact estimates of the tissue optical properties. The system incorporated a laser source and a CCD camera. Deflection of the incident beam into the camera allowed characterization of the source for absolute reflectance measurements. It is shown that an often used solution of the diffusion equation cannot be applied for these measurements. Instead, a neural network, trained on the results of Monte Carlo simulations, was used to estimate the absorption and scattering coefficients from the reflectance data. Tests on tissue-simulating phantoms with transport scattering coefficients between 0.5 and 2.0 mm-1 and absorption coefficients between 0.002 and 0.1 mm -1 showed the rms errors of this technique to be 2.6% for the transport scattering coefficient and 14% for the absorption coefficients. The optical properties of bovine muscle, adipose, and liver tissue, as well as chicken muscle (breast), were also measured ex vivo at 633 and 751 nm. For muscle tissue it was found that the Monte Carlo simulation did not agree with experimental measurements of reflectance at distances less than 2 mm from the incident beam. Carlo, neural network.

  2. Role of diffusion-weighted magnetic resonance imaging and apparent diffusion coefficient values in the detection of gastric carcinoma

    PubMed Central

    Liang, Jianxiao; Lv, Hailian; Liu, Qingwei; Li, Hongfu; Wang, Jiangquan; Cui, Engang

    2015-01-01

    Objective: The study evaluated the applicability of diffusion-weighted magnetic resonance imaging (DW-MRI) and apparent diffusion coefficient (ADC) values in the diagnosis and staging of gastric carcinoma (GC). Methods: From December, 2013 to December, 2014, 35 GC patients were selected from the Department of Oncology. Carcinomatous gastric tissues were collected as the case group, and normal gastric tissues were collected as the control group. The DW-MRI examination was performed on a 3.0-T GE Signa Excite MRI scanner. The ADC values of carcinomatous and normal gastric tissues were measured. A statistical meta-analysis was further performed. Results: DW-MRI identified 75.0% (3/4) patients with T1, 75.0% (6/8) patients with T2, 86.4% (19/22) patients with T3, and 100.0% (1/1) patient with T4, showing an accuracy for T staging of 82.9% (29/35); identified 92.9% (13/14) patients of N0, 58.3% (7/12) patents of N1, 62.5% (5/8) patents of N2, and 100.0% (1/1) patients of N3, showing an accuracy for N staging of 74.3% (26/35). The average ADC value in the case group was apparently lower than the control group (P < 0.001); in the poorly differentiated group was lower than the moderately and well differentiated groups (F = 111.1, P < 0.001). Pairwise comparison of the average ADC value between the poorly, moderately and well differentiated groups showed statistical significance (all P < 0.05). Meta-analysis further confirmed a higher average ADC value in the case group than the control group (SMD = -4.136, 95% CI = -5.344~-2.928, P < 0.001). Conclusion: DW-MRI is proved to be an attractive, noninvasive, quantitative and useful technique in the diagnosis and staging of GC. PMID:26629058

  3. Early Changes in Apparent Diffusion Coefficient From Diffusion-Weighted MR Imaging During Radiotherapy for Prostate Cancer

    SciTech Connect

    Park, Sung Yoon; Kim, Chan Kyo; Park, Byung Kwan; Park, Won; Park, Hee Chul; Han, Deok Hyun; Kim, Bohyun

    2012-06-01

    Purpose: To investigate the feasibility of diffusion-weighted MRI (DWI) as an early and reproducible change indicator in patients receiving radiotherapy for prostate cancer (PC). Methods and Materials: Eight consecutive patients with biopsy-proven PC underwent DWI at 3T. All patients who received external-beam radiotherapy had four serial MR scans, as follows: before therapy (PreTx); after 1 week of therapy (PostT1); after 3 weeks of therapy (PostT2); and 1 month after the completion of therapy (PostT3). At each time, the apparent diffusion coefficient (ADC) was measured in tumors and normal tissues. For reproducibility of the ADC measurement, five patients also had two separate pretreatment DWI scans at an interval of <2 weeks. Serum prostate-specific antigen (PSA) levels were evaluated at the same time as MR scans. Results: Thirteen tumors (peripheral zone = 10; transition zone = 3) were found. The mean ADC values for the tumors from PreTx to PostT3 were 0.86, 1.03, 1.15, and 1.26 Multiplication-Sign 10{sup -3} mm{sup 2}/s in sequence, respectively. Compared with PreTx, PostT1 (p = 0.005), PostT2 (p = 0.003), and PostT3 (p < 0.001) showed a significant increase in ADC values. The mean ADC values of the benign tissues from PreTx to PostT3 were 1.60, 1.58, 1.47, and 1.46 Multiplication-Sign 10{sup -3} mm{sup 2}/s in sequence, respectively. Reproducibility of ADC measurements was confirmed with a mean difference in ADC of -0.04 in peripheral zone and -0.017 in transition zone between two separate pretreatment MR scans. The mean PSA levels from PreTx to PostT3 were 9.05, 9.18, 9.25, and 4.11 ng/mL in sequence, respectively. Conclusions: DWI, as a reproducible biomarker, has the potential to evaluate the early therapeutic changes of PC to radiotherapy.

  4. Heavy quark diffusion in the pre-equilibrium stage of heavy ion collisions

    NASA Astrophysics Data System (ADS)

    Das, Santosh K.; Ruggieri, Marco; Mazumder, Surasree; Greco, Vincenzo; Alam, Jan-e.

    2015-09-01

    The drag and diffusion coefficients of heavy quarks (HQs) have been evaluated in the pre-equilibrium phase of the evolving fireball produced in heavy ion collisions at relativistic heavy ion collider and Large Hadron Collider energies. KLN and classical Yang-Mills spectra have been used for describing the momentum distributions of the gluons produced just after the collisions but before they thermalize. The interaction of the HQs with these gluons has been treated within the framework of perturbative quantum chromodynamics. We have observed that the HQs are dragged almost equally by the kinetically equilibrated and out-of-equilibrium gluonic systems. We have also noticed that the HQ diffusion in the pre-equilibrium gluonic phase is as fast as in the kinetically equilibrated gluons. Moreover, the diffusion is faster in the pre-equilibrium phase than in the chemically equilibrated quark-gluon plasma. These findings may have significant impact on the analysis of experimental results on the elliptic flow and the high momentum suppression of the open charm and beauty hadrons.

  5. Electron-Ion Recombination Rate Coefficient Measurements in a Flowing Afterglow Plasma

    NASA Technical Reports Server (NTRS)

    Gougousi, Theodosia; Golde, Michael F.; Johnsen, Rainer

    1996-01-01

    The flowing-afterglow technique in conjunction with computer modeling of the flowing plasma has been used to determine accurate dissociative-recombination rate coefficients alpha for the ions O2(+), HCO(+), CH5(+), C2H5(+), H3O(+), CO2(+), HCO2(+), HN2O(+), and N2O(+) at 295 K. We find that the simple form of data analysis that was employed in earlier experiments was adequate and we largely confirm earlier results. In the case of HCO(+) ions, published coefficients range from 1.1 X 10(exp -7) to 2.8 x 10(exp -7) cu cm/S, while our measurements give a value of 1.9 x 10(exp -7) cu cm/S.

  6. Kramers' Diffusion Theory Applied to Gating Kinetics of Voltage-Dependent Ion Channels

    E-print Network

    Bezanilla, Francisco

    Kramers' Diffusion Theory Applied to Gating Kinetics of Voltage-Dependent Ion Channels Daniel Sigg in describing ion channel gating current kinetics. Diffusion theory can be expected to be particularly relevant, University of Washington, Seattle, Washington 98195 USA ABSTRACT Kramers' diffusion theory of reaction rates

  7. Diffusion Coefficient Calculations With Low Order Legendre Polynomial and Chebyshev Polynomial Approximation for the Transport Equation in Spherical Geometry

    SciTech Connect

    Yasa, F.; Anli, F.; Guengoer, S.

    2007-04-23

    We present analytical calculations of spherically symmetric radioactive transfer and neutron transport using a hypothesis of P1 and T1 low order polynomial approximation for diffusion coefficient D. Transport equation in spherical geometry is considered as the pseudo slab equation. The validity of polynomial expansionion in transport theory is investigated through a comparison with classic diffusion theory. It is found that for causes when the fluctuation of the scattering cross section dominates, the quantitative difference between the polynomial approximation and diffusion results was physically acceptable in general.

  8. Apparent diffusion coefficient measurement covering complete tumor area better predicts rectal cancer response to neoadjuvant chemoradiotherapy

    PubMed Central

    Blaži?, Ivana; Maksimovi?, Ružica; Gaji?, Milan; Šaranovi?, ?or?ije

    2015-01-01

    Aim To determine the impact of two apparent diffusion coefficient (ADC) measurement techniques on diffusion-weighted magnetic resonance images (DW MRI) on the assessment of rectal cancer response to neoadjuvant chemoradiotherapy (CRT). Methods ADC values were measured prospectively with two different techniques – the first, which measures ADCs in the most cellular tumor parts, and the second, which measures the entire tumor area, in 58 patients with locally advanced rectal cancer on pre-CRT and post-CRT image sets. Areas under the receiver operating characteristic curves (AUCs) and parameters of diagnostic accuracy were calculated for pre- and post-CRT ADC values and numeric and percent ADC change for each technique to determine their performance in tumor response evaluation using histopathological tumor-regression grade as the reference standard. Results The second technique yielded higher AUCs (0.935 vs 0.704, P?

  9. Diffusion length damage coefficient and annealing studies in proton-irradiated InP

    NASA Technical Reports Server (NTRS)

    Hakimzadeh, Roshanak; Vargas-Aburto, Carlos; Bailey, Sheila G.; Williams, Wendell

    1993-01-01

    We report on the measurement of the diffusion length damage coefficient (K(sub L)) and the annealing characteristics of the minority carrier diffusion length (L(sub n)) in Czochralski-grown zinc-doped indium phosphide (InP), with a carrier concentration of 1 x 10(exp l8) cm(exp -3). In measuring K(sub L) irradiations were made with 0.5 MeV protons with fluences ranging from 1 x 10(exp 11) to 3 x 10(exp 13) cm(exp -2). Pre- and post-irradiation electron-beam induced current (EBIC) measurements allowed for the extraction of L(sub n) from which K(sub L) was determined. In studying the annealing characteristics of L(sub n) irradiations were made with 2 MeV protons with fluence of 5 x 10(exp 13) cm(exp -2). Post-irradiation studies of L(sub n) with time at room temperature, and with minority carrier photoinjection and forward-bias injection were carried out. The results showed that recovery under Air Mass Zero (AMO) photoinjection was complete. L(sub n) was also found to recover under forward-bias injection, where recovery was found to depend on the value of the injection current. However, no recovery of L(sub n) after proton irradiation was observed with time at room temperature, in contrast to the behavior of 1 MeV electron-irradiated InP solar cells reported previously.

  10. A feasibility study on monitoring the evolution of apparent diffusion coefficient decrease during thermal ablation

    PubMed Central

    Plata, Juan C.; Holbrook, Andrew B.; Marx, Michael; Salgaonkar, Vasant; Jones, Peter; Pascal-Tenorio, Aurea; Bouley, Donna; Diederich, Chris; Sommer, Graham; Pauly, Kim Butts

    2015-01-01

    Purpose: Evaluate whether a decrease in apparent diffusion coefficient (ADC), associated with loss of tissue viability (LOTV), can be observed during the course of thermal ablation of the prostate. Methods: Thermal ablation was performed in a healthy in vivo canine prostate model (N = 2, ages: 5 yr healthy, mixed breed, weights: 13–14 kg) using a transurethral high-intensity ultrasound catheter and was monitored using a strategy that interleaves diffusion weighted images and gradient-echo images. The two sequences were used to measure ADC and changes in temperature during the treatment. Changes in temperature were used to compute expected changes in ADC. The difference between expected and measured ADC, ADCDIFF, was analyzed in regions ranging from moderate hyperthermia to heat fixation. A receiver operator characteristic (ROC) curve analysis was used to select a threshold of detection of LOTV. Time of threshold activation, tLOTV, was compared with time to reach CEM43 = 240, tDOSE. Results: The observed relationship between temperature and ADC in vivo (2.2%/?°C, 1.94%–2.47%/?°C 95% confidence interval) was not significantly different than the previously reported value of 2.4%/?°C in phantom. ADCDIFF changes after correction for temperature showed a mean decrease of 25% in ADC 60 min post-treatment in regions where sufficient thermal dose (CEM43 > 240) was achieved. Following our ROC analysis, a threshold of 2.25% decrease in ADCDIFF for three consecutive time points was chosen as an indicator of LOTV. The ADCDIFF was found to decrease quickly (1–2 min) after reaching CEM43 = 240 in regions associated with heat fixation and more slowly (10–20 min) in regions that received slower heating. Conclusions: Simultaneous monitoring of ADC and temperature during treatment might allow for a more complete tissue viability assessment of ablative thermal treatments in the prostate. ADCDIFF decreases during the course of treatment may be interpreted as loss of tissue viability. PMID:26328964

  11. Fusion product measurements of the local ion thermal diffusivity in the PLT tokamak

    SciTech Connect

    Heidbrink, W.W.; Lovberg, J.; Strachan, J.D.; Bell, R.E.

    1986-03-01

    Measurement of the gradient of the d-d fusion rate profile in an ohmic PLT plasma is used to deduce the gradient of the ion temperature and, thus, the local ion thermal diffusivity through an energy balance analysis. The inferred ion diffusivity is consistent with neoclassical theory.

  12. Unraveling the behavior of the individual ionic activity coefficients on the basis of the balance of ion-ion and ion-water interactions

    E-print Network

    Mónika Valiskó; Dezs? Boda

    2014-09-15

    We investigate the individual activity coefficients of pure 1:1 and 2:1 electrolytes using our theory that is based on the competition of ion-ion (II) and ion-water (IW) interactions (Vincze et al., J. Chem. Phys. 133, 154507, 2010). The II term is computed from Grand Canonical Monte Carlo simulations on the basis of the implicit solvent model of electrolytes using hard sphere ions with Pauling radii. The IW term is computed on the basis of Born's treatment of solvation using experimental hydration free energies. The two terms are coupled through the concentration-dependent dielectric constant of the electrolyte. With this approach we are able to reproduce the nonmonotonic concentration dependence of the mean activity coefficient of pure electrolytes qualitatively without using adjustable parameters. In this paper, we show that the theory can provide valuable insight into the behavior of individual activity coefficients too. We compare our theoretical predictions against experimental data measured by electrochemical cells containing ion-specific electrodes. As in the case of the mean activity coefficients, we find good agreement for 2:1 electrolytes, while the accuracy of our model is worse for 1:1 systems. This deviation in accuracy is explained by the fact that the two competing terms (II and IW) are much larger in the 2:1 case so errors in the two separate terms have less effects. The difference of the excess chemical potentials of cations and anions (the ratio of activity coefficients) is determined by asymmetries in the properties of the two ions: charge, radius, and hydration free energies.

  13. Temporal development of diffuse ion events upstream of the Earth's bow shock: The October 31, 1977, event

    SciTech Connect

    Skadron, G.; Lee, M.A.

    1983-12-01

    We examine the origin of the intensity-time profile characteristic of diffuse ion events upstream of the earth's bow shock. This profile is believed to result from a rotation of the interplanetary magnetic field which produces a systematic variation in the connection time of field lines with the bow shock. A plateau in the ion intensity is formed if the connection time exceeds the time needed to reach equilibrium between the shock acceleration and ion loss processes. This scenario is tested using the October 31, 1977, upstream diffuse ion event for which simultaneous magnetic field and ion intensity data have been published. We analyze this event using a two-dimensional Gleeson-Axford equation to describe the shock acceleration process and a model bow shock whose nose serves as a uniform source of ion injected into the acceleration process. Intensity-time profiles are calculated for 30-keV and 120-keV protons for a range of diffusion coefficients, K/sub parallel/ and K/sub perpendicular/ using connection times based upon the shock geometry and the magnetic field data. It is found that the calculated and observed profiles are in good general agreement during the growth phase but diverge during the decay. The best overall fit is achieved with diffusion coefficients, K/sub parallel/(30 keV) approx.4 x 10/sup 17/ cm/sup 2/ s/sup -1/, K/sub parallel/)120 keV)approx.1.2 x 10/sup 18/ cm/sup 2/ s/sup -1/, and K/sub perpendicular/(120 keV)approx.10/sup 16/ cm/sup 2/ s/sup -1/. These values also produce cross-field anisotropics at 0430 UT which are in satisfactory agreement with the observed anistropies.

  14. Accurate Diffusion Coefficients of Organosoluble Reference Dyes in Organic Media Measured by Dual-Focus Fluorescence Correlation Spectroscopy.

    PubMed

    Goossens, Karel; Prior, Mira; Pacheco, Victor; Willbold, Dieter; Müllen, Klaus; Enderlein, Jörg; Hofkens, Johan; Gregor, Ingo

    2015-07-28

    Dual-focus fluorescence correlation spectroscopy (2fFCS) is a versatile method to determine accurate diffusion coefficients of fluorescent species in an absolute, reference-free manner. Whereas (either classical or dual-focus) FCS has been employed primarily in the life sciences and thus in aqueous environments, it is increasingly being used in materials chemistry, as well. These measurements are often performed in nonaqueous media such as organic solvents. However, the diffusion coefficients of reference dyes in organic solvents are not readily available. For this reason we determined the translational diffusion coefficients of several commercially available organosoluble fluorescent dyes by means of 2fFCS. The selected dyes and organic solvents span the visible spectrum and a broad range of refractive indices, respectively. The diffusion coefficients can be used as absolute reference values for the calibration of experimental FCS setups, allowing quantitative measurements to be performed. We show that reliable information about the hydrodynamic dimensions of the fluorescent species (including noncommercial compounds) within organic media can be extracted from the 2fFCS data. PMID:26144863

  15. Estimation of CO2 diffusion coefficient at 0-10 cm depth in undisturbed and tilled soils

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Diffusion coefficients (D) of CO2 at 0 – 10 cm layers in undisturbed and tilled soil conditions were estimated using Penman, Millington-Quirk, Ridgwell et al. (1999), Troeh et al., and Moldrup et al. models. Soil bulk density and volumetric soil water content ('v) at 0 – 10 cm were measured on April...

  16. Characterization of the fluorescence correlation spectroscopy (FCS) standard Rhodamine 6G and calibration of its diffusion coefficient in aqueous solutions

    SciTech Connect

    Majer, G.; Melchior, J. P.

    2014-03-07

    Precise diffusion measurements of rhodamine 6G (Rh6G) dissolved in D{sub 2}O at concentrations between 50 and 200 ?M were carried out in the temperature range from 280 to 320 K using pulsed field gradient nuclear magnetic resonance (PFG-NMR). The obtained diffusion coefficients can be used as a calibration reference in fluorescence correlation spectroscopy (FCS). Besides measuring the diffusivity of Rh6G, the diffusion coefficient of the solvent in the same system could be determined in parallel by PFG-NMR as the resonances of water and Rh6G are well separated in the {sup 1}H NMR spectrum. To analyze the differences due to the isotope effect of the solvent (D{sub 2}O vs. H{sub 2}O), the correlation time ?{sub D} of Rh6G was measured by FCS in both D{sub 2}O and H{sub 2}O. The obtained isotopic correction factor, ?{sub D}(D{sub 2}O)/?{sub D}(H{sub 2}O) = 1.24, reflects the isotope effect of the solvent´s self-diffusion coefficients as determined previously by PFG-NMR.

  17. In situ estimation of the effective chemical diffusion coefficient of a rock matrix in a fractured aquifer

    USGS Publications Warehouse

    Gebrekristos, R.A.; Shapiro, A.M.; Usher, B.H.

    2008-01-01

    An in situ method of estimating the effective diffusion coefficient for a chemical constituent that diffuses into the primary porosity of a rock is developed by abruptly changing the concentration of the dissolved constituent in a borehole in contact with the rock matrix and monitoring the time-varying concentration. The experiment was conducted in a borehole completed in mudstone on the campus of the University of the Free State in Bloemfontein, South Africa. Numerous tracer tests were conducted at this site, which left a residual concentration of sodium chloride in boreholes that diffused into the rock matrix over a period of years. Fresh water was introduced into a borehole in contact with the mudstone, and the time-varying increase of chloride was observed by monitoring the electrical conductivity (EC) at various depths in the borehole. Estimates of the effective diffusion coefficient were obtained by interpreting measurements of EC over 34 d. The effective diffusion coefficient at a depth of 36 m was approximately 7.8??10-6 m2/d, but was sensitive to the assumed matrix porosity. The formation factor and mass flux for the mudstone were also estimated from the experiment. ?? Springer-Verlag 2007.

  18. Glioma grading using apparent diffusion coefficient map: application of histogram analysis based on automatic segmentation.

    PubMed

    Lee, Jeongwon; Choi, Seung Hong; Kim, Ji-Hoon; Sohn, Chul-Ho; Lee, Sooyeul; Jeong, Jaeseung

    2014-09-01

    The accurate diagnosis of glioma subtypes is critical for appropriate treatment, but conventional histopathologic diagnosis often exhibits significant intra-observer variability and sampling error. The aim of this study was to investigate whether histogram analysis using an automatically segmented region of interest (ROI), excluding cystic or necrotic portions, could improve the differentiation between low-grade and high-grade gliomas. Thirty-two patients (nine low-grade and 23 high-grade gliomas) were included in this retrospective investigation. The outer boundaries of the entire tumors were manually drawn in each section of the contrast-enhanced T1 -weighted MR images. We excluded cystic or necrotic portions from the entire tumor volume. The histogram analyses were performed within the ROI on normalized apparent diffusion coefficient (ADC) maps. To evaluate the contribution of the proposed method to glioma grading, we compared the area under the receiver operating characteristic (ROC) curves. We found that an ROI excluding cystic or necrotic portions was more useful for glioma grading than was an entire tumor ROI. In the case of the fifth percentile values of the normalized ADC histogram, the area under the ROC curve for the tumor ROIs excluding cystic or necrotic portions was significantly higher than that for the entire tumor ROIs (p?

  19. Isotopic mass-dependence of metal cation diffusion coefficients in liquid water

    SciTech Connect

    Bourg, I.C.; Richter, F.M.; Christensen, J.N.; Sposito, G.

    2009-01-11

    Isotope distributions in natural systems can be highly sensitive to the mass (m) dependence of solute diffusion coefficients (D) in liquid water. Isotope geochemistry studies routinely have assumed that this mass dependence either is negligible (as predicted by hydrodynamic theories) or follows a kinetic-theory-like inverse square root relationship (D {proportional_to} m{sup -0.5}). However, our recent experimental results and molecular dynamics (MD) simulations showed that the mass dependence of D is intermediate between hydrodynamic and kinetic theory predictions (D {proportional_to} m{sup -{beta}} with 0 {<=} {beta} < 0.2 for Li{sup +}, Cl{sup -}, Mg{sup 2+}, and the noble gases). In this paper, we present new MD simulations and experimental results for Na{sup +}, K{sup +}, Cs{sup +}, and Ca{sup 2+} that confirm the generality of the inverse power-law relation D {proportional_to} m{sup -{beta}}. Our new findings allow us to develop a general description of the influence of solute valence and radius on the mass dependence of D for monatomic solutes in liquid water. This mass dependence decreases with solute radius and with the magnitude of solute valence. Molecular-scale analysis of our MD simulation results reveals that these trends derive from the exponent {beta} being smallest for those solutes whose motions are most strongly coupled to solvent hydrodynamic modes.

  20. Electron state density and electron diffusion coefficient in energy space in nonideal nonequilibrium plasmas

    SciTech Connect

    Bobrov, A. A.; Bronin, S. Ya.; Zelener, B. B. Zelener, B. V.; Manykin, E. A.

    2008-07-15

    We suggest a model for a hydrogenic low-temperature nonequilibrium nonideal plasma that allows the kinetic parameters of the plasma to be calculated by the method of molecular dynamics by taking into account the interparticle interaction. The charges interact according to Coulomb's law; for unlike charges, the interaction is assumed to be equal to a constant at a distance smaller than several Bohr radii. For a system of particles, we solve the classical equations of motion under periodic boundary conditions. The initial conditions are specified in such a way that the electrons have a positive total energy. We consider the temperatures 1-50 K and densities n = 10{sup 9}-10{sup 10} cm{sup -3} produced in an experiment through laser cooling and resonant excitation. We calculate the electron state density as a function of the plasma coupling parameter and the electron diffusion coefficient in energy space for highly excited (Rydberg) electron states close to the boundary of the discrete and continuum spectra.

  1. Parameterization of the Age-Dependent Whole Brain Apparent Diffusion Coefficient Histogram

    PubMed Central

    Klose, Uwe; Batra, Marion; Nägele, Thomas

    2015-01-01

    Purpose. The distribution of apparent diffusion coefficient (ADC) values in the brain can be used to characterize age effects and pathological changes of the brain tissue. The aim of this study was the parameterization of the whole brain ADC histogram by an advanced model with influence of age considered. Methods. Whole brain ADC histograms were calculated for all data and for seven age groups between 10 and 80 years. Modeling of the histograms was performed for two parts of the histogram separately: the brain tissue part was modeled by two Gaussian curves, while the remaining part was fitted by the sum of a Gaussian curve, a biexponential decay, and a straight line. Results. A consistent fitting of the histograms of all age groups was possible with the proposed model. Conclusions. This study confirms the strong dependence of the whole brain ADC histograms on the age of the examined subjects. The proposed model can be used to characterize changes of the whole brain ADC histogram in certain diseases under consideration of age effects. PMID:26609526

  2. The mimetic finite difference method for elliptic and parabolic problems with a staggered discretization of diffusion coefficient

    NASA Astrophysics Data System (ADS)

    Lipnikov, Konstantin; Manzini, Gianmarco; Moulton, J. David; Shashkov, Mikhail

    2016-01-01

    Numerical schemes for nonlinear parabolic equations based on the harmonic averaging of cell-centered diffusion coefficients break down when some of these coefficients go to zero or their ratio grows. To tackle this problem, we propose new mimetic finite difference schemes that use a staggered discretization of the diffusion coefficient. The primary mimetic operator approximates div (k ?); the derived (dual) mimetic operator approximates - ? (?). The new mimetic schemes preserve symmetry and positive-definiteness of the continuum problem which allows us to use algebraic solvers with optimal complexity. We perform detailed numerical analysis of the new schemes for linear elliptic problems and a specially designed linear parabolic problem that has solution dynamics typical for nonlinear problems. We show that the new schemes are competitive with the state-of-the-art schemes for steady-state problems but provide much more accurate solution dynamics for the transient problem.

  3. Molecular dynamics simulations of lithium silicate/vanadium pentoxide interfacial lithium ion diffusion in thin film lithium ion-conducting devices

    NASA Astrophysics Data System (ADS)

    Li, Weiqun

    The lithium ion diffusion behavior and mechanism in the glassy electrolyte and the electrolyte/cathode interface during the initial stage of lithium ion diffusing from electrolyte into cathode were investigated using Molecular Dynamics simulation technique. Lithium aluminosilicate glass electrolytes with different R (ratio of the concentration of Al to Li) were simulated. The structural features of the simulated glasses are analyzed using Radial Distribution Function (RDF) and Pair Distribution Function (PDF). The diffusion coefficient and activation energy of lithium ion diffusion in simulated lithium aluminosilicate glasses were calculated and the values are consistent with those in experimental glasses. The behavior of lithium ion diffusion from the glassy electrolyte into a polycrystalline layered intercalation cathode has been studied. The solid electrolyte was a model lithium silicate glass while the cathode was a nanocrystalline vanadia with amorphous V2O5 intergranular films (IGF) between the V2O5 crystals. Two different orientations between the V2O5 crystal planes are presented for lithium ion intercalation via the amorphous vanadia IGF. A series of polycrystalline vanadia cathodes with 1.3, 1.9, 2.9 and 4.4 nm thickness IGFs were simulated to examine the effects of the IGF thickness on lithium ion transport in the polycrystalline vanadia cathodes. The simulated results showed that the lithium ions diffused from the glassy electrolyte into the IGF of the polycrystalline vanadia cathode and then part of those lithium ions diffused into the crystalline V2O5 from the IGF. The simulated results also showed an ordering of the vanadium ion structure in the IGF near the IGF/V2 O5 interface. The ordering structure still existed with glass former silica additive in IGF. Additionally, 2.9 run is suggested to be the optimal thickness of the IGF, which is neither too thick to decrease the capacity of the cathode nor too thin to impede the transport of lithium from glassy electrolyte into the cathode. Parallel molecular dynamic simulation technique was also used for a larger electrolyte/cathode interface system, which include more atoms and more complicated microstructures. Simulation results from larger electrolyte/cathode interface system prove that there is no size effect on simulation of smaller electrolyte/cathode interface system from statistical point of view.

  4. Diffusion in heterogeneous media: An iterative scheme for finding approximate solutions to fractional differential equations with time-dependent coefficients

    NASA Astrophysics Data System (ADS)

    Bologna, Mauro; Svenkeson, Adam; West, Bruce J.; Grigolini, Paolo

    2015-07-01

    Diffusion processes in heterogeneous media, and biological systems in particular, are riddled with the difficult theoretical issue of whether the true origin of anomalous behavior is renewal or memory, or a special combination of the two. Accounting for the possible mixture of renewal and memory sources of subdiffusion is challenging from a computational point of view as well. This problem is exacerbated by the limited number of techniques available for solving fractional diffusion equations with time-dependent coefficients. We propose an iterative scheme for solving fractional differential equations with time-dependent coefficients that is based on a parametric expansion in the fractional index. We demonstrate how this method can be used to predict the long-time behavior of nonautonomous fractional differential equations by studying the anomalous diffusion process arising from a mixture of renewal and memory sources.

  5. Cyclic voltammetric technique for the determination of the critical micelle concentration of surfactants, self-diffusion coefficient of micelles, and partition coefficient of an electrochemical probe

    SciTech Connect

    Mandal, A.B.; Nair, B.U. )

    1991-10-31

    Critical micelle concentrations (cmc) of cetyltrimethylammonium bromide (CTAB) and cetylpyridinium chloride (CPC) surfactants in aqueous solution have been determined by using the cyclic voltammetric technique. (Co(en){sub 3})(ClO{sub 4}){sub 3} has been used as the redox-active electrochemical probe. The cmc values so obtained for the surfactants were found to be in good agreement with the literature values. The partition coefficient, K, of the electrochemical probe between water and surfactants in nonmicellar and micellar states was estimated using the peak current, i{sub p} and half-wave potential, E{sub 1/2} values. The self-diffusion coefficient, D{sub m}, interaction parameter, k{sub f}, and hydrodynamic radius of the micelles were also estimated. The results suggest that the probe is sensitive to the nature of surfactant as well as surfactant concentration.

  6. Ab initio screening of lithium diffusion rates in transition metal oxide cathodes for lithium ion batteries

    E-print Network

    Moore, Charles J. (Charles Jacob)

    2012-01-01

    A screening metric for diffusion limitations in lithium ion battery cathodes is derived using transition state theory and common materials properties. The metric relies on net activation barrier for lithium diffusion. ...

  7. Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP)

    NASA Astrophysics Data System (ADS)

    Snyder, David A.; Chantova, Mihaela; Chaudhry, Saadia

    2015-06-01

    NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase.

  8. Analysis of ligand-protein exchange by Clustering of Ligand Diffusion Coefficient Pairs (CoLD-CoP).

    PubMed

    Snyder, David A; Chantova, Mihaela; Chaudhry, Saadia

    2015-06-01

    NMR spectroscopy is a powerful tool in describing protein structures and protein activity for pharmaceutical and biochemical development. This study describes a method to determine weak binding ligands in biological systems by using hierarchic diffusion coefficient clustering of multidimensional data obtained with a 400 MHz Bruker NMR. Comparison of DOSY spectrums of ligands of the chemical library in the presence and absence of target proteins show translational diffusion rates for small molecules upon interaction with macromolecules. For weak binders such as compounds found in fragment libraries, changes in diffusion rates upon macromolecular binding are on the order of the precision of DOSY diffusion measurements, and identifying such subtle shifts in diffusion requires careful statistical analysis. The "CoLD-CoP" (Clustering of Ligand Diffusion Coefficient Pairs) method presented here uses SAHN clustering to identify protein-binders in a chemical library or even a not fully characterized metabolite mixture. We will show how DOSY NMR and the "CoLD-CoP" method complement each other in identifying the most suitable candidates for lysozyme and wheat germ acid phosphatase. PMID:25909645

  9. Behavior of rate coefficients for ion-ion mutual neutralization, 300-550 K

    SciTech Connect

    Miller, Thomas M.; Shuman, Nicholas S.; Viggiano, A. A.

    2012-05-28

    Rate coefficients k{sub MN} have been measured for a number of anion neutralization reactions with Ar{sup +} and Kr{sup +} over the temperature range 300-550 K. For the first time, the data set includes anions of radicals and other short-lived species. In the present paper, we review these results and make note of correlations with reduced mass, electron binding energy of the anion (equivalent to the electron affinity of the corresponding neutral), and temperature, and compare with expectations from absorbing sphere models. An intriguing result is that the data for diatomic anions neutralized by Ar{sup +} and Kr{sup +} have k{sub MN} values close to 3 x 10{sup -8} cm{sup 3} s{sup -1} at 300 K, a figure which is lower than those for all of the polyatomic anions at 300 K except for SF{sub 5}{sup -}+ Kr{sup +}. For the polyatomic anions studied here, neutralized by Ar{sup +} and Kr{sup +}, the reduced mass dependence agrees with theory, on average, but we find a stronger temperature dependence of T{sup -0.9} than expected from the theoretical E{sup -0.5} energy dependence of the rate coefficient at thermal energies. The k{sub MN} show a weak dependence on the electron binding energy of the anion for the polyatomic species studied.

  10. Unraveling the behavior of the individual ionic activity coefficients on the basis of the balance of ion-ion and ion-water interactions.

    PubMed

    Valiskó, Mónika; Boda, Dezs?

    2015-01-29

    We investigate the individual activity coefficients of pure 1:1 and 2:1 electrolytes using our theory that is based on the competition of ion-ion (II) and ion-water (IW) interactions (Vincze et al. J. Chem. Phys. 2010, 133, 154507). The II term is computed from grand canonical Monte Carlo simulations on the basis of the implicit solvent model of electrolytes using hard sphere ions with Pauling radii. The IW term is computed on the basis of Born's treatment of solvation using experimental hydration free energies. The two terms are coupled through the concentration-dependent dielectric constant of the electrolyte. We show that the theory can provide valuable insight into the nonmonotonic concentration dependence of individual activity coefficients. We compare our theoretical predictions against experimental data measured by electrochemical cells containing ion-specific electrodes. We find good agreement for 2:1 electrolytes, while the accuracy is worse for 1:1 systems. This deviation in accuracy is explained by the fact that the two competing terms (II and IW) are much larger in the 2:1 case, resulting in smaller relative errors. The difference of the excess chemical potentials of cations and anions is determined by asymmetries in the properties of the two ions: charge, radius, and hydration free energies. PMID:25549274

  11. Low temperature diffusion coefficients in the Fe-Ni and FeNiP systems: Application to meteorite cooling rates

    NASA Technical Reports Server (NTRS)

    Dean, D. C.; Goldstein, J. I.

    1984-01-01

    The interdiffusion coefficient of FeNi in fcc taenite (gamma) of Fe-Ni and Fe-Ni-0.2 P alloys was measured as a function of temperature between 600 and 900 C. This temperature range is directly applicable to the nucleation and growth of the Widmanstatten pattern in iron meteorites and metal regions of stony and stony-iron meteorites. Diffusion couples were made from FeNi or FeNiP alloys which ensured that the couples were in the taenite phase at the diffusion temperature. The presence or absence of grain boundary diffusion was determined by measuring the Ni profile normal to the existing grain boundaries with the AEM. Ignoring any variation of interdiffusion coefficient with composition, the measured data was plotted versus the reciprocal of the diffusion temperature. The FeNi data generally follow the extrapolated Goldstein, et al. (1965) data from high temperatures. The FeNiP data indicates that small additions of P (0.2 wt%) cause a 3 to 10 fold increase in the FeNi interdifussion coefficient increasing with decreasing temperature. This increase is about the same as that predicted by Narayan and Goldstein (1983) at the Widmanstatten growth temperature.

  12. Garnet/high-silica rhyolite trace element partition coefficients measured by ion microprobe

    USGS Publications Warehouse

    Sisson, T.W.; Bacon, C.R.

    1992-01-01

    Garnet/liquid trace element partition coefficients have been measured in situ by ion microprobe in a rhyolite from Monache Mountain, California. Partition coefficients are reported for La, Ce, Nd, Sm, Dy, Er, Yb, Sc, Ti, V, Cr, Sr, Y, and Zr. The in situ analyses avoid the problem of contamination of the garnet phase by trace element-rich accessory minerals encountered in traditional bulk phenocryst/matrix partitioning studies. The partitioning pattern for the rare earth elements (REEs, excluding Eu) is smooth and rises steeply from the light to the heavy REEs with no sharp kinks or changes in slope, unlike patterns for garnet /silicic liquid REE partitioning determined by bulk methods. This difference suggests that the previous determinations by bulk methods are in error, having suffered from contamination of the phenocryst separates. ?? 1992.

  13. Sensitivity of the interpretation of the experimental ion thermal diffusivity to the determination of the ion conductive heat flux

    SciTech Connect

    Stacey, W. M.

    2014-04-15

    A moments equation formalism for the interpretation of the experimental ion thermal diffusivity from experimental data is used to determine the radial ion thermal conduction flux that must be used to interpret the measured data. It is shown that the total ion energy flux must be corrected for thermal and rotational energy convection, for the work done by the flowing plasma against the pressure and viscosity, and for ion orbit loss of particles and energy, and expressions are presented for these corrections. Each of these factors is shown to have a significant effect on the interpreted ion thermal diffusivity in a representative DIII-D [J. Luxon, Nucl. Fusion 42, 614 (2002)] discharge.

  14. A method for estimating the diffuse attenuation coefficient (KdPAR)from paired temperature sensors

    USGS Publications Warehouse

    Read, Jordan S.; Rose, Kevin C.; Winslow, Luke A.; Read, Emily Kara

    2015-01-01

    A new method for estimating the diffuse attenuation coefficient for photosynthetically active radiation (KdPAR) from paired temperature sensors was derived. We show that during cases where the attenuation of penetrating shortwave solar radiation is the dominant source of temperature changes, time series measurements of water temperatures at multiple depths (z1 and z2) are related to one another by a linear scaling factor (a). KdPAR can then be estimated by the simple equation KdPAR ln(a)/(z2/z1). A suggested workflow is presented that outlines procedures for calculating KdPAR according to this paired temperature sensor (PTS) method. This method is best suited for conditions when radiative temperature gains are large relative to physical noise. These conditions occur frequently on water bodies with low wind and/or high KdPARs but can be used for other types of lakes during time periods of low wind and/or where spatially redundant measurements of temperatures are available. The optimal vertical placement of temperature sensors according to a priori knowledge of KdPAR is also described. This information can be used to inform the design of future sensor deployments using the PTS method or for campaigns where characterizing sub-daily changes in temperatures is important. The PTS method provides a novel method to characterize light attenuation in aquatic ecosystems without expensive radiometric equipment or the user subjectivity inherent in Secchi depth measurements. This method also can enable the estimation of KdPAR at higher frequencies than many manual monitoring programs allow.

  15. Nd3+ ion diffusion during sintering of Nd:YAG transparent ceramics

    SciTech Connect

    Hollingsworth, J P; Kuntz, J D; Soules, T F

    2008-10-24

    Using an electron microprobe, we measured and characterized the Nd{sup 3+} ion diffusion across a boundary between Nd doped and undoped ceramic yttrium aluminum garnet (YAG) for different temperature ramps and hold times and temperatures. The results show significant Nd ion diffusion on the order of micrometers to tens of micrometers depending on the time and temperature of sintering. The data fit well a model including bulk diffusion, grain boundary diffusion and grain growth. Grain boundary diffusion dominates and grain growth limits grain boundary diffusion by reducing the total cross sectional area of grain boundaries.

  16. Gas exchange dependency on diffusion coefficient: direct /sup 222/Rn and /sup 3/He comparisons in a small lake

    SciTech Connect

    Torgersen, T.; Mathieu, G.; Hesslein, R.H.; Broecker, W.S.

    1982-01-20

    A direct field comparison was conducted to determine the dependency of gas exchange coefficient (k/sub x/) on the diffusion coefficient (D/sub x/). The study also sought to confirm the enhanced vertical exchange properties of limnocorrals and similar enclosures. Gas exchange coefficients for /sup 222/Rn and /sup 3/He were determined in a small northern Ontario lake, using a /sup 226/Ra and /sup 3/H spike to gain the necessary precision. The results indicate that the gas exchange coefficient is functionally dependent on the diffusion coefficient raised to the 1.22/sub -35//sup + > 12/ power (k/sub x/ = f(D/sub x//sup 1.22)), clearly supporting the stagnant film model of gas exchange. Limnocorrals were found to have gas exchange rates up to 1.7 times higher than the whole lake in spite of the observation of more calm surface conditions in the corral than in the open lake. 33 references, 6 figures, 8 tables.

  17. An evaluation of energy-independent heavy ion transport coefficient approximations

    NASA Technical Reports Server (NTRS)

    Townsend, L. W.; Wilson, J. W.

    1988-01-01

    Utilizing a one-dimensional transport theory for heavy ion propagation, evaluations of typical energy-dependent transport coefficient approximations are made by comparing theoretical depth-dose predictions to published experimental values for incident 670 MeV/nucleon Ne-20 beams in water. Results are presented for cases where the input nuclear absorption cross sections, or input fragmentation parameters, or both, are fixed. The lack of fragment charge and mass concentration resulting from the use of Silberberg-Tsao fragmentation parameters continues to be the main source of disagreement between theory and experiment.

  18. Relationships of radon diffusion coefficient with saturated hydraulic conductivity, fines content and moisture saturation of radon/infiltration barriers for the UMTRA Project

    SciTech Connect

    Li, P.Y.; Chen, P.K.

    1994-01-24

    The release of {sup 222}Radon to the atmosphere is controlled by the rate of its gas transport through earthen materials. Of the many soil-related parameters, radon diffusion coefficient is the key parameter that characterizes this transport. We compared the radon diffusion coefficients measured at the laboratories for the UMTRA Project with simple empirical correlations developed by others. The empirical correlations predict the radon diffusion coefficient based on the fraction of moisture saturation and porosity. One of the more recent correlations agrees reasonably well with the measurements. In addition, by using a series of correlation curves, we studied the empirical relationships of the. radon diffusion coefficient with the saturated hydraulic conductivity, the fines content, and the moisture saturation in soil. The results reveal that a reliable determination of the long-term moisture and porosity is essential in the design of an adequate radon barrier with respect to the radon diffusion coefficient.

  19. The effect on the radon diffusion coefficient of long-term exposure of waterproof membranes to various degradation agents.

    PubMed

    Navrátilová Rovenská, Katerina

    2014-07-01

    Waterproofing, usually made of bitumen or polymers with various additives, is used to protect buildings mainly against dampness, but also against radon transported from the soil beneath the building. The radon diffusion coefficient is a material property which is considered to be strongly influenced by the inner structure (chemical composition, crystallinity) of a measured sample. We have used this parameter together with measurements of mechanical properties (hardness, tensile strength, elongation at break, etc.) and FTIR spectroscopy has been used in order to describe the changes in material properties induced by long-term degradation. This paper summarizes the results of radon diffusion coefficient measurements of waterproof materials exposed to radon, soil bacteria, high temperature and combinations of these factors. We have discovered changes as high as 83 % have been discovered compared to virgin samples. PMID:24748486

  20. Evaluation of Fourier transform coefficients for the diagnosis of rheumatoid arthritis from diffuse optical tomography images

    NASA Astrophysics Data System (ADS)

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

    2013-03-01

    We apply the Fourier Transform to absorption and scattering coefficient images of proximal interphalangeal (PIP) joints and evaluate the performance of these coefficients as classifiers using receiver operator characteristic (ROC) curve analysis. We find 25 features that yield a Youden index over 0.7, 3 features that yield a Youden index over 0.8, and 1 feature that yields a Youden index over 0.9 (90.0% sensitivity and 100% specificity). In general, scattering coefficient images yield better one-dimensional classifiers compared to absorption coefficient images. Using features derived from scattering coefficient images we obtain an average Youden index of 0.58 +/- 0.16, and an average Youden index of 0.45 +/- 0.15 when using features from absorption coefficient images.

  1. Radon diffusion coefficient measurement in waterproofings--a review of methods and an analysis of differences in results.

    PubMed

    Rovenská, Kate?ina; Jiránek, Martin

    2012-04-01

    This paper summarizes information about 16 measuring methods for determining the radon diffusion coefficient of waterproofing materials. We have found that the differences in results for identical membranes, which can be as high as two orders of magnitude, can mainly be attributed to insufficient duration of the tests, insufficient radon concentration to which the samples are exposed, and the use of steady state calculation procedures for data measured under non-steady state conditions. PMID:22285061

  2. Nonlinear Diffusions and Stable-Like Processes with Coefficients Depending on the Median or VaR

    SciTech Connect

    Kolokoltsov, Vassili N.

    2013-08-01

    The paper is devoted to the well-posedness for nonlinear McKean-Vlasov type diffusions with coefficients depending on the median or, more generally, on the {alpha}-quantile of the underlying distribution. The median is not a continuous function on the space of probability measures equipped with the weak convergence. This is one reason why well-posedness of the SDE considered in the paper does not follow by standard arguments.

  3. Atomistic insights into Li-ion diffusion in amorphous silicon , Afif Gouissem a

    E-print Network

    Sharma, Pradeep

    a realistic evaluation of Li-ion diffusion pathways in amorphous Si. Diffusive pathways are not a priori set Sharma a,b,c, a Department of Mechanical Engineering, University of Houston, Houston, TX 77004, USA b-ions in the crystalline silicon anode is one of the key mechanisms that controls the deformation during lithiation

  4. Anomalous diffusion and ion heating in the presence of electrostatic hydrogen cyclotron instabilities

    SciTech Connect

    Okuda, H.; Cheng, C.Z.; Lee, W.W.

    1980-11-01

    One- and two-dimensional simulations have been carried out to study electrostatic ion cyclotron instabilities for a hydrogen plasma in a strong magnetic field. It is found that strong ion heating and anomalous cross-field diffusion comparable to Bohm diffusion take place associated with the instability. Implications of the instability to the recent observations in fusion devices and space plasmas are discussed.

  5. Self-diffusion Coefficient and Structure of Binary n-Alkane Mixtures at the Liquid-Vapor Interfaces.

    PubMed

    Chilukoti, Hari Krishna; Kikugawa, Gota; Ohara, Taku

    2015-10-15

    The self-diffusion coefficient and molecular-scale structure of several binary n-alkane liquid mixtures in the liquid-vapor interface regions have been examined using molecular dynamics simulations. It was observed that in hexane-tetracosane mixture hexane molecules are accumulated in the liquid-vapor interface region and the accumulation intensity decreases with increase in a molar fraction of hexane in the examined range. Molecular alignment and configuration in the interface region of the liquid mixture change with a molar fraction of hexane. The self-diffusion coefficient in the direction parallel to the interface of both tetracosane and hexane in their binary mixture increases in the interface region. It was found that the self-diffusion coefficient of both tetracosane and hexane in their binary mixture is considerably higher in the vapor side of the interface region as the molar fraction of hexane goes lower, which is mostly due to the increase in local free volume caused by the local structure of the liquid in the interface region. PMID:26406156

  6. A new family of implicit fourth order compact schemes for unsteady convection-diffusion equation with variable convection coefficient

    E-print Network

    Shuvam Sen

    2012-01-16

    In this paper, a new family of implicit compact finite difference schemes for computation of unsteady convection-diffusion equation with variable convection coefficient is proposed. The schemes are fourth order accurate in space and second or lower order accurate in time depending on the choice of weighted time average parameter. The proposed schemes, where transport variable and its first derivatives are carried as the unknowns, combine virtues of compact discretization and Pad\\'{e} scheme for spatial derivative. These schemes which are based on five point stencil with constant coefficients, named as \\emph{(5,5) Constant Coefficient 4th Order Compact} [(5,5)CC-4OC], give rise to a diagonally dominant system of equations and shows higher accuracy and better phase and amplitude error characteristics than some of the standard methods. These schemes are capable of using a grid aspect ratio other than unity and are unconditionally stable. They efficiently capture both transient and steady solutions of linear and nonlinear convection-diffusion equations with Dirichlet as well as Neumann boundary condition. The proposed schemes can be easily implemented and are applied to problems governed by incompressible Navier-Stokes equations apart from linear convection-diffusion equation. Results obtained are in excellent agreement with analytical and available numerical results in all cases, establishing efficiency and accuracy of the proposed scheme.

  7. Divergence of the Long Wavelength Collective Diffusion Coefficient in Quasi-one and Quasi-two Dimensional Colloid Suspensions

    NASA Astrophysics Data System (ADS)

    Lin, Binhua; Cui, Bianxiao; Xu, Xinliang; Zangi, Ronen; Diamant, Haim; Rice, Stuart A.

    2015-03-01

    We report the results of experimental studies of the short time-long wavelength behavior of collective particle displacements in q1D and q2D colloid suspensions. Our results are reported via the q->0 behavior of the hydrodynamic function H (q) that relates the effective collective diffusion coefficient, De (q) , with the static structure factor S (q) and the self-diffusion coefficient of isolated particles Do: H (q) De (q) S (q) /Do. We find an apparent divergence of H (q) as q->0 with the form H(q)q-(1.7 < ?<1.9), for both q1D and q2D colloid suspensions. Given that S (q) does not diverge as we infer that De (q) does. This behavior is qualitatively different from that of the three-dimensional H (q) and De (q) as q->0, and the divergence is of a different functional form from that predicted for the diffusion coefficient in one component 1D and 2D fluids not subject to boundary conditions that define the dimensionality of the system. The research was supported by the NSF MRSEC at the U of Chicago (NSF/DMR-MRSEC 0820054), NSF/CHE 0822838 (ChemMatCARS), and Israel Science Foundation (Grant No. 8/10).

  8. Soret, thermodiffusion, and mean diffusion coefficients of the ternary mixture n-dodecane+isobutylbenzene+1,2,3,4-tetrahydronaphthalene

    NASA Astrophysics Data System (ADS)

    Gebhardt, M.; Köhler, W.

    2015-10-01

    We have investigated thermodiffusion in ternary mixtures of dodecane (nC12), isobutylbenzene (IBB), and 1,2,3,4-tetrahydronaphthalene (THN) by means of two-color optical beam deflection over the entire ternary composition space. The Soret and the thermodiffusion coefficients ST , i ' ( c 1 , c 2 ) and DT , i ' ( c 1 , c 2 ) , respectively, have been determined for all three components i and fitted by smooth approximating polynomials in the independent concentrations c1 (nC12) and c2 (THN). Both the Soret and the thermodiffusion coefficient are negative for nC12 and positive for THN over all compositions. In case of IBB, they change sign, being negative for THN-rich and positive for nC12-rich mixtures. Both the positive and negative signs and the sign change are in agreement with qualitative predictions based on the recently introduced thermophobicity concept [S. Hartmann et al., Phys. Rev. Lett. 109, 065901 (2012); J. Chem. Phys. 141, 134503 (2014)]. For isothermal diffusion, a mean diffusion coefficient D ¯ but neither the diffusion matrix nor its eigenvalues could be determined.

  9. Improved Algorithms for Accurate Retrieval of UV - Visible Diffuse Attenuation Coefficients in Optically Complex, Inshore Waters

    NASA Technical Reports Server (NTRS)

    Cao, Fang; Fichot, Cedric G.; Hooker, Stanford B.; Miller, William L.

    2014-01-01

    Photochemical processes driven by high-energy ultraviolet radiation (UVR) in inshore, estuarine, and coastal waters play an important role in global bio geochemical cycles and biological systems. A key to modeling photochemical processes in these optically complex waters is an accurate description of the vertical distribution of UVR in the water column which can be obtained using the diffuse attenuation coefficients of down welling irradiance (Kd()). The Sea UV Sea UVc algorithms (Fichot et al., 2008) can accurately retrieve Kd ( 320, 340, 380,412, 443 and 490 nm) in oceanic and coastal waters using multispectral remote sensing reflectances (Rrs(), Sea WiFS bands). However, SeaUVSeaUVc algorithms are currently not optimized for use in optically complex, inshore waters, where they tend to severely underestimate Kd(). Here, a new training data set of optical properties collected in optically complex, inshore waters was used to re-parameterize the published SeaUVSeaUVc algorithms, resulting in improved Kd() retrievals for turbid, estuarine waters. Although the updated SeaUVSeaUVc algorithms perform best in optically complex waters, the published SeaUVSeaUVc models still perform well in most coastal and oceanic waters. Therefore, we propose a composite set of SeaUVSeaUVc algorithms, optimized for Kd() retrieval in almost all marine systems, ranging from oceanic to inshore waters. The composite algorithm set can retrieve Kd from ocean color with good accuracy across this wide range of water types (e.g., within 13 mean relative error for Kd(340)). A validation step using three independent, in situ data sets indicates that the composite SeaUVSeaUVc can generate accurate Kd values from 320 490 nm using satellite imagery on a global scale. Taking advantage of the inherent benefits of our statistical methods, we pooled the validation data with the training set, obtaining an optimized composite model for estimating Kd() in UV wavelengths for almost all marine waters. This optimized composite set of SeaUVSeaUVc algorithms will provide the optical community with improved ability to quantify the role of solar UV radiation in photochemical and photobiological processes in the ocean.

  10. The temperature-dependent diffusion coefficient of helium in zirconium carbide studied with first-principles calculations

    SciTech Connect

    Yang, Xiao-Yong; Lu, Yong; Zhang, Ping

    2015-04-28

    The temperature-dependent diffusion coefficient of interstitial helium in zirconium carbide (ZrC) matrix is calculated based on the transition state theory. The microscopic parameters in the activation energy and prefactor are obtained from first-principles total energy and phonon frequency calculations including the all atoms. The obtained activation energy is 0.78?eV, consistent with experimental value. Besides, we evaluated the influence of C and Zr vacancies as the perturbation on helium diffusion, and found the C vacancy seems to confine the mobility of helium and the Zr vacancy promotes helium diffusion in some extent. These results provide a good reference to understand the behavior of helium in ZrC matrix.

  11. Use of NMR Imaging to Determine the Diffusion Coefficient of Water in Bio-based Hydrogels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The diffusion of liquid in a hydrogel material is a fundamental property which must be controlled in order to create effective delivery systems for the agricultural and pharmaceutical industries. NMR spectroscopy has been used to determine the diffusion of water and deuterium oxide in a bio-based h...

  12. Strong Pitch-Angle Diffusion of Ring Current Ions in Geomagnetic Storm-Associated Conditions

    NASA Technical Reports Server (NTRS)

    Khazanov, G. V.; Gamayunov, K. V.; Gallagher, D. L.; Spann, J. F.

    2005-01-01

    Do electromagnetic ion cyclotron (EMIC) waves cause strong pitch-angle diffusion of RC ions? This question is the primary motivation of this paper and has been affirmatively answered from the theoretical point of view. The materials that are presented in the Results section show clear evidence that strong pitch-angle diffusion takes place in the inner magnetosphere indicating an important role for the wave-particle interaction mechanism in the formation of RC ions and EMIC waves.

  13. Evaluation of diffusion coefficients by means of an approximate steady-state condition in sedimentation velocity distributions.

    PubMed

    Scott, David J; Harding, Stephen E; Winzor, Donald J

    2015-12-01

    This investigation examined the feasibility of manipulating the rotor speed in sedimentation velocity experiments to spontaneously generate an approximate steady-state condition where the extent of diffusional spreading is matched exactly by the boundary sharpening arising from negative s-c dependence. Simulated sedimentation velocity distributions based on the sedimentation characteristics for a purified mucin preparation were used to illustrate a simple procedure for determining the diffusion coefficient from such steady-state distributions in situations where the concentration dependence of the sedimentation coefficient, s = s(0)/(1 + Kc), was quantified in terms of the limiting sedimentation coefficient as c ? 0 (s(0)) and the concentration coefficient (K). Those simulations established that spontaneous generation of the approximate steady state could well be a feature of sedimentation velocity distributions for many unstructured polymer systems because the requirement that Kco?(2)s(0)/D be between 46 and 183 cm(-2) is not unduly restrictive. Although spontaneous generation of the approximate steady state is also a theoretical prediction for structured macromolecular solutes exhibiting linear concentration dependence of the sedimentation coefficient, s = s(0)(1 - kc), the required value of k is far too large for any practical advantage to be taken of this approach with globular proteins. PMID:26321223

  14. Solute diffusion in liquid metals

    NASA Technical Reports Server (NTRS)

    Bhat, B. N.

    1973-01-01

    A gas model of diffusion in liquid metals is presented. In this model, ions of liquid metals are assumed to behave like the molecules in a dense gas. Diffusion coefficient of solute is discussed with reference to its mass, ionic size, and pair potential. The model is applied to the case of solute diffusion in liquid silver. An attempt was made to predict diffusion coefficients of solutes with reasonable accuracy.

  15. On parameter estimation in a diffusion process with piecewise constant coefficients

    E-print Network

    . It is used in pharmaceutical research to estimate the rate by which certain drugs travel through thin with piecewise constant coefficients modelling the penetration process of drugs through thin membranes. Its

  16. Measuring the ratio of aqueous diffusion coefficients between [sup 6]Li[sup +]Cl[sup [minus

    SciTech Connect

    Fritz, S.J. )

    1992-10-01

    Osmotic equilibrium is a singular occurrence in the evolution of an osmotic cell because at this event the net solution flux is zero such that [minus]J[sub w] [center dot] [bar V][sub w] = J[sub s] [center dot] [bar V][sub s]. At this juncture, the diffusion coefficient of the solute through the membrane ([omega]) equals the solute flux (J[sub s]) divided by the osmotic pressure ([delta]II). Because the solute permeability coefficient ([omega]) is related to the Fickian diffusion coefficient (D) through the gas constant, temperature, and the membrane's thickness and tortuosity, the ratio of [omega] values for individual isotopic species equals the ratio of D values for the same isotopic components. A 0.9450 molal LiCl solution was placed within sealed dialysis tubing and osmoted against a kilogram of deionized water at 22C. Osmotic equilibrium occurred at 164 [plus minus] 10 min. The ratio of [omega][sub [sup 6]Li[sup +]Cl[sup [minus

  17. Inclusion compounds between ?-, ?- and ?-cyclodextrins: iron II lactate: a theoretical and experimental study using diffusion coefficients and molecular mechanics

    NASA Astrophysics Data System (ADS)

    Leite, Rosiley A.; Lino, Antonio C. S.; Takahata, Yuji

    2003-01-01

    The inclusion compounds between iron II lactate and three different cyclodextrins (CDs) were studied by means of experimental and theoretical data. The importance of iron II in the human metabolism effort the necessity of a minimum concentration to the human life. Malnutrition is one great problem in social politics of many countries on the world. The possibility to the development of novel medicines with the iron II species stable look for an increase on the efficiency for this kind of aid. Kinetics measurements confirm the possibility to stop the oxidation reaction. It was the first indication of efficient molecular encapsulation. Diffusion coefficient measurements were carried out by Taylor-Aris diffusion technique. The decrease of diffusion coefficients measured for iron II lactate when alone and forming the inclusion complexes was obtained for all hosts molecules used. Molecular Mechanics calculations were performed to elucidate the perfect arrange of iron II lactate inside CDs cavity. No great differences were obtained to the binding energy for the different hosts. Using the software HyperChem6.03v MM+, AMBER94 and OPLS Forced Fields for iron atom in two chemical environments (a) vacuum and (b) with addition of 250 water molecules (MM+). The solvent treatment was decisive to the order of stability. This order was ?-CD>?-CD>?-CD, the same order of solubility in water. The results contained in this work confirm the possibility to protect iron II lactate against oxidation.

  18. Physically separated references for diffusion coefficient-formula weight (D-FW) analysis of diffusion-ordered NMR spectroscopy (DOSY) in water.

    PubMed

    Li, Weibin; Kagan, Gerald; Yang, Huan; Cai, Chen; Hopson, Russell; Sweigart, Dwight A; Williard, Paul G

    2010-06-18

    Development and application of physically separated references for aqueous (1)H DOSY diffusion coefficient-formula weight (D-FW) correlation analysis is reported. Commercially available biological buffers (Tris and HEPES) and a water-soluble alcohol (tert-butanol) were used as physically separated references for a Ru and a Mn complex in D(2)O. This extension of DOSY D-FW analysis expands its applicability to a wide variety of water-soluble molecules or metal complexes, with particular application to green chemistry. PMID:20481557

  19. Experimental Study of Diffusion Coefficients of Water through the Collagen: Apatite Porosity in Human Trabecular Bone Tissue

    PubMed Central

    Bini, Fabiano; Marinozzi, Andrea

    2014-01-01

    We firstly measured the swelling of single trabeculae from human femur heads during water imbibition. Since the swelling is caused by water diffusing from external surfaces to the core of the sample, by measuring the sample swelling over time, we obtained direct information about the transport of fluids through the intimate constituents of bone, where the mineralization process takes place. We developed an apparatus to measure the free expansion of the tissue during the imbibition. In particular, we measured the swelling along three natural axes (length L, width W, and thickness T) of plate-like trabeculae. For this aim, we developed a 3D analytical model of the water uptake by the sample that was performed according to Fickian transport mechanism. The results were then utilized to predict the swelling over time along the three sample directions (L, W, T) and the apparent diffusion coefficients DT, DW, and DL. PMID:24967405

  20. Measurement of convective cell spectra and the resultant calculated vortex diffusion coefficient

    SciTech Connect

    Ehrhardt, A. B.; Post, R. S.

    1980-10-01

    The presence of convective cells in a purely poloidal field Levitated Octupole has been associated with diffusion that scales as D/sub v/ (T* proportional to T/n) /sup 1/2/, independent of B, where T* is an effective temperature, T* proportional to T. The electric field spectrum of the convective cells can be used to estimate the magnitude of T* and D/sub v/. The results are in reasonable agreement with previous measurements of cross-field transport, and agree qualitatively with theoretical models of vortex diffusion.

  1. Pulsed field gradient spin-echo NMR measurement of water diffusion coefficient in thickening and gelling agents: guar galactomannan solutions and pectin gels.

    PubMed

    Brosio, E; D'Ubaldo, A; Verzegnassi, B

    1994-06-01

    The Pulsed Field Gradient Spin-Echo (PFG-SE) method was used to study the diffusional properties of water in guar galactomannan solutions and in highly methyl-esterified (HDE) pectin solutions and gels. The diffusion coefficient of water in the non-gelling galactomannan system was the same than that of pure water and independent on polymer concentration, despite of a strong increase in viscosity. In the two-component gelling system, pectin-sucrose, the diffusion coefficient of water was lower than in the pure state, and decreasing as a function of the concentration of both constituents. A normalized diffusion coefficient, Dgel/Dsuc, was defined to discriminate the effect of the gelation process on water diffusion, and it showed a clear dependence on the extent of network formation. Unrestricted diffusion was evidenced in all cases. PMID:8061574

  2. Combined energy and pitch angle diffusion of pickup ions at Comet Halley

    NASA Technical Reports Server (NTRS)

    Ye, Gang; Cravens, T. E.

    1991-01-01

    It is well known that cometary pickup ions, e.g., H2O(+), OH(+), O(+), CO(+), H(+), initially form a ring-beam distribution in the solar wind reference frame, which is highly unstable to the growth of MHD waves (such as ion-cyclotron waves). The low-frequency magnetic fluctuations (or waves), which were observed upstream of Comet Halley, cannot only pitch-angle-scatter the pickup ions so that the distribution becomes at least partially isotropized, but also stochastically accelerate the ions, resulting in the energetic ion populations observed in the vicinity of Comet Halley. Here, numerical solutions of the quasi-linear diffusion equation were used to investigate the cometary ion pickup process at Comet Halley. Both pitch angle and energy diffusion are taken into account. Many quasi-linear models of cometary pickup ions exist which involve one type of diffusion or the other but not both types at once. It is found that the pitch angle scattering occurs faster than the energy diffusion, as expected. Moreover, the results demonstrate that the distribution of accelerated energetic ions is more isotropic than that of ions which have just been picked up. In fact, the ion distribution function on the initial pickup shell is quite anisotropic, even close to the Comet-Halley bow shock.

  3. Measurement of the positron diffusion constants in polycrystalline molybdenum by the observation of positronium negative ions

    NASA Astrophysics Data System (ADS)

    Suzuki, Takuji; Iida, Simpei; Yamashita, Takashi; Nagashima, Yasuyuki

    2015-06-01

    We have measured the positron diffusion constants in polycrystalline molybdenum by the observation of positronium negative ions (Ps-). The Ps- ions emitted from the sample surface coated with Na were accelerated. The ?-rays from the accelerated Ps- ions were Doppler- shifted and thus the signals of self-annihilation of the Ps- ions were isolated from those of self-annihilation of para-positronium (p-Ps) or pair-annihilation of positrons in the bulk. Clear and reliable values of the diffusion constants have been obtained.

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

    PubMed

    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. PMID:25833591

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

    NASA Astrophysics Data System (ADS)

    Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

    2015-03-01

    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.

  6. Comparison of Apparent Diffusion Coefficient and Intravoxel Incoherent Motion for Differentiating among Glioblastoma, Metastasis, and Lymphoma Focusing on Diffusion-Related Parameter

    PubMed Central

    Shim, Woo Hyun; Kim, Ho Sung; Choi, Choong-Gon; Kim, Sang Joon

    2015-01-01

    Background and Purpose Brain tumor cellularity has been assessed by using apparent diffusion coefficient (ADC). However, the ADC value might be influenced by both perfusion and true molecular diffusion, and the perfusion effect on ADC can limit the reliability of ADC in the characterization of tumor cellularity, especially, in hypervascular brain tumors. In contrast, the IVIM technique estimates parameter values for diffusion and perfusion effects separately. The purpose of our study was to compare ADC and IVIM for differentiating among glioblastoma, metastatic tumor, and primary CNS lymphoma (PCNSL) focusing on diffusion-related parameter. Materials and Methods We retrospectively reviewed the data of 128 patients with pathologically confirmed glioblastoma (n = 55), metastasis (n = 31), and PCNSL (n = 42) prior to any treatment. Two neuroradiologists independently calculated the maximum IVIM-f (fmax) and minimum IVIM-D (Dmin) by using 16 different b-values with a bi-exponential fitting of diffusion signal decay, minimum ADC (ADCmin) by using 0 and 1000 b-values with a mono-exponential fitting and maximum normalized cerebral blood volume (nCBVmax). The differences in fmax, Dmin, nCBVmax, and ADCmin among the three tumor pathologies were determined by one-way ANOVA with multiple comparisons. The fmax and Dmin were correlated to the corresponding nCBV and ADC using partial correlation analysis, respectively. Results Using a mono-exponential fitting of diffusion signal decay, the mean ADCmin was significantly lower in PCNSL than in glioblastoma and metastasis. However, using a bi-exponential fitting, the mean Dmin did not significantly differ in the three groups. The mean fmax significantly increased in the glioblastomas (reader 1, 0.103; reader 2, 0.109) and the metastasis (reader 1, 0.105; reader 2, 0.107), compared to the primary CNS lymphomas (reader 1, 0.025; reader 2, 0.023) (P < .001 for each). The correlation between fmax and the corresponding nCBV was highest in glioblastoma group, and the correlation between Dmin and the corresponding ADC was highest in primary CNS lymphomas group. Conclusion Unlike ADC value derived from a mono-exponential fitting of diffusion signal, diffusion-related parametric value derived from a bi-exponential fitting with separation of perfusion effect doesn’t differ among glioblastoma, metastasis, and PCNSL. PMID:26225937

  7. Effects of ion dynamics on kinetic structures of the diffusion region during magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Chen, L. J.; Shuster, J. R.; Bessho, N.; Li, G.; Torbert, R. B.; Daughton, W. S.

    2014-12-01

    Based on results from Particle-in-cell (PIC) simulations, we report how ion dynamics influencethe Hall electric field and electron velocity distributions in the diffusion region of magnetic reconnection.The Hall electric field is due to charge imbalance in the diffusion region. At early times, within a few ion cyclotron oscillations from the peak reconnection,electron orbit dynamics dominate, and the Hall electric field layer assumes the width of the electron current layer.As the pre-existing current sheet ions are accelerated and jetted away, inflowing ions form an ion phase space hole structure.The ion hole structure is self-consistently supported by the Hall electric field. The ion meandering orbit width increasesover the course of about 10 ion cyclotron oscillations from several to approximately 40 electron skin depths (two ion skin depths,where the skin depth is based on the initial current sheet density), and theHall electric field layer widens in the same manner to become much broader than the electron diffusion region.The electron velocity distributions upstream of the electron diffusion region and within the regionof counter streaming ions become fragmented as the ion hole establishes itself.The fragmentation is carried into the electron diffusion region, and through the electron outflow jet, leading to a multitude of arcs in the electron distributions at the end of the jet. The broadening of the Hall electric field layer resolves a longstanding discrepancy concerning whether the narrowest width of the layer is of the electron [Chen et al., 2008] or ion [Mozer et al., 2002] scale. The fragmentation of the electron distributions may be due to an electron-ion instability, and is underinvestigation.

  8. Matrix diffusion coefficients in volcanic rocks at the Nevada test site: influence of matrix porosity, matrix permeability, and fracture coating minerals.

    PubMed

    Reimus, Paul W; Callahan, Timothy J; Ware, S Doug; Haga, Marc J; Counce, Dale A

    2007-08-15

    Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ((3)HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient (D(m)/D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of (D(m)/D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log(D(m)/D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log(D(m)/D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments. PMID:17350718

  9. Matrix diffusion coefficients in volcanic rocks at the Nevada test site: Influence of matrix porosity, matrix permeability, and fracture coating minerals

    NASA Astrophysics Data System (ADS)

    Reimus, Paul W.; Callahan, Timothy J.; Ware, S. Doug; Haga, Marc J.; Counce, Dale A.

    2007-08-01

    Diffusion cell experiments were conducted to measure nonsorbing solute matrix diffusion coefficients in forty-seven different volcanic rock matrix samples from eight different locations (with multiple depth intervals represented at several locations) at the Nevada Test Site. The solutes used in the experiments included bromide, iodide, pentafluorobenzoate (PFBA), and tritiated water ( 3HHO). The porosity and saturated permeability of most of the diffusion cell samples were measured to evaluate the correlation of these two variables with tracer matrix diffusion coefficients divided by the free-water diffusion coefficient ( Dm/ D*). To investigate the influence of fracture coating minerals on matrix diffusion, ten of the diffusion cells represented paired samples from the same depth interval in which one sample contained a fracture surface with mineral coatings and the other sample consisted of only pure matrix. The log of ( Dm/ D*) was found to be positively correlated with both the matrix porosity and the log of matrix permeability. A multiple linear regression analysis indicated that both parameters contributed significantly to the regression at the 95% confidence level. However, the log of the matrix diffusion coefficient was more highly-correlated with the log of matrix permeability than with matrix porosity, which suggests that matrix diffusion coefficients, like matrix permeabilities, have a greater dependence on the interconnectedness of matrix porosity than on the matrix porosity itself. The regression equation for the volcanic rocks was found to provide satisfactory predictions of log( Dm/ D*) for other types of rocks with similar ranges of matrix porosity and permeability as the volcanic rocks, but it did a poorer job predicting log( Dm/ D*) for rocks with lower porosities and/or permeabilities. The presence of mineral coatings on fracture walls did not appear to have a significant effect on matrix diffusion in the ten paired diffusion cell experiments.

  10. Long-Cycle-Life Na-Ion Anodes Based on Amorphous Titania Nanotubes-Interfaces and Diffusion.

    PubMed

    Prutsch, Denise; Wilkening, Martin; Hanzu, Ilie

    2015-11-25

    Amorphous self-assembled titania nanotube layers are fabricated by anodization in ethylene glycol based baths. The nanotubes having diameters between 70-130 nm and lengths between 4.5-17 ?m are assembled in Na-ion test cells. Their sodium insertion properties and electrochemical behavior with respect to sodium insertion is studied by galvanostatic cycling with potential limitation and cyclic voltammetry. It is found that these materials are very resilient to cycling, some being able to withstand more than 300 cycles without significant loss of capacity. The mechanism of electrochemical storage of Na(+) in the investigated titania nanotubes is found to present significant particularities and differences from a classical insertion reaction. It appears that the interfacial region between titania and the liquid electrolyte is hosting the majority of Na(+) ions and that this interfacial layer has a pseudocapacitive behavior. Also, for the first time, the chemical diffusion coefficients of Na(+) into the amorphous titania nanotubes is determined at various electrode potentials. The low values of diffusion coefficients, ranging between 4 × 10(-20) to 1 × 10(-21) cm(2)/s, support the interfacial Na(+) storage mechanism. PMID:26517737

  11. Quantitative full-colour transmitted light microscopy and dyes for concentration mapping and measurement of diffusion coefficients in microfluidic architectures.

    PubMed

    Werts, Martinus H V; Raimbault, Vincent; Texier-Picard, Rozenn; Poizat, Rémi; Français, Olivier; Griscom, Laurent; Navarro, Julien R G

    2012-02-21

    A simple and versatile methodology has been developed for the simultaneous measurement of multiple concentration profiles of colourants in transparent microfluidic systems, using a conventional transmitted light microscope, a digital colour (RGB) camera and numerical image processing combined with multicomponent analysis. Rigorous application of the Beer-Lambert law would require monochromatic probe conditions, but in spite of the broad spectral bandwidths of the three colour channels of the camera, a linear relation between the measured optical density and dye concentration is established under certain conditions. An optimised collection of dye solutions for the quantitative optical microscopic characterisation of microfluidic devices is proposed. Using the methodology for optical concentration measurement we then implement and validate a simplified and robust method for the microfluidic measurement of diffusion coefficients using an H-filter architecture. It consists of measuring the ratio of the concentrations of the two output channels of the H-filter. It enables facile determination of the diffusion coefficient, even for non-fluorescent molecules and nanoparticles, and is compatible with non-optical detection of the analyte. PMID:22228225

  12. Ternary Isothermal Diffusion Coefficients of NaCl-MgCl2-H2O at 25 C. 7. Seawater Composition

    SciTech Connect

    Miller, D G; Lee, C M; Rard, J A

    2007-02-12

    The four diffusion coefficients D{sub ij} of the ternary system NaCl-MgCl{sub 2}-H{sub 2}O at the simplified seawater composition 0.48877 mol {center_dot} dm{sup -3} NaCl and 0.05110 mol {center_dot} dm{sup -3} MgCl{sub 2} have been remeasured at 25 C. The diffusion coefficients were obtained using both Gouy and Rayleigh interferometry with the highly precise Gosting diffusiometer. The results, which should be identical in principle, are essentially the same within or very close to their combined 'realistic' errors. This system has a cross-term D{sub 12} that is larger than the D{sub 22} main-term, where subscript 1 denotes NaCl and 2 denotes MgCl{sub 2}. The results are compared with earlier, less-precise measurements. Recommended values for this system are (D{sub 11}){sub V} = 1.432 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, (D{sub 12}){sub V} = 0.750 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, (D{sub 21}){sub V} = 0.0185 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, and (D{sub 22}){sub V} = 0.728 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}.

  13. Optimal estimates of the diffusion coefficient of a single Brownian trajectory

    E-print Network

    Denis Boyer; David S. Dean; Carlos Mejía-Monasterio; Gleb Oshanin

    2012-03-22

    Modern developments in microscopy and image processing are revolutionizing areas of physics, chemistry and biology as nanoscale objects can be tracked with unprecedented accuracy. The goal of single particle tracking is to determine the interaction between the particle and its environment. The price paid for having a direct visualization of a single particle is a consequent lack of statistics. Here we address the optimal way of extracting diffusion constants from single trajectories for pure Brownian motion. It is shown that the maximum likelihood estimator is much more efficient than the commonly used least squares estimate. Furthermore we investigate the effect of disorder on the distribution of estimated diffusion constants and show that it increases the probability of observing estimates much smaller than the true (average) value.

  14. Dynamics of supercooled water in nanotubes: Cage correlation function and diffusion coefficient

    NASA Astrophysics Data System (ADS)

    Khademi, Mahdi; Kalia, Rajiv K.; Sahimi, Muhammad

    2015-09-01

    Dynamics of low-temperature water in nanostructured materials is important to a variety of phenomena, ranging from transport in cement and asphaltene, to conformational dynamics of proteins in "crowded" cellular environments, survival of microorganisms at very low temperatures, and diffusion in nanogeoscience. Using silicon-carbide nanotubes as a prototype of nanostructured materials, extensive molecular dynamics simulations were carried out to study the cage correlation function C (t ) and self-diffusivity D of supercooled water in the nanotubes. C (t ) , which measures changes in the atomic surroundings inside the nanotube, follows the Kohlrausch-Williams-Watts law, C (t ) ˜exp[-(t/? ) ?] , where ? is a relaxation time and ? is a topological exponent. For the temperature range 220 Kdiffusivity manifests a transition around 230 K, very close to 228 K, the temperature at which a fragile-to-strong dynamic crossover is supposed to happen. Thus the results indicate that water does not freeze in the nanotube over the studied temperature range, and that the Stokes-Einstein relation breaks down.

  15. Dynamics of supercooled water in nanotubes: Cage correlation function and diffusion coefficient.

    PubMed

    Khademi, Mahdi; Kalia, Rajiv K; Sahimi, Muhammad

    2015-09-01

    Dynamics of low-temperature water in nanostructured materials is important to a variety of phenomena, ranging from transport in cement and asphaltene, to conformational dynamics of proteins in "crowded" cellular environments, survival of microorganisms at very low temperatures, and diffusion in nanogeoscience. Using silicon-carbide nanotubes as a prototype of nanostructured materials, extensive molecular dynamics simulations were carried out to study the cage correlation function C(t) and self-diffusivity D of supercooled water in the nanotubes. C(t), which measures changes in the atomic surroundings inside the nanotube, follows the Kohlrausch-Williams-Watts law, C(t)?exp[-(t/?)^{?}], where ? is a relaxation time and ? is a topological exponent. For the temperature range 220Kdiffusivity manifests a transition around 230 K, very close to 228 K, the temperature at which a fragile-to-strong dynamic crossover is supposed to happen. Thus the results indicate that water does not freeze in the nanotube over the studied temperature range, and that the Stokes-Einstein relation breaks down. PMID:26465407

  16. Negative Ion Drift Velocity and Longitudinal Diffusion in Mixtures of Carbon Disulfide and Methane

    NASA Technical Reports Server (NTRS)

    Dion, Michael P.; Son, S.; Hunter, S. D.; deNolfo, G. A.

    2011-01-01

    Negative ion drift velocity and longitudinal diffusion has been measured for gas mixtures of carbon disulfide (CS2) and methane (CH4)' Measurements were made as a function of total pressure, CS2 partial pressure and electric field. Constant mobility and thermal-limit longitudinal diffusion is observed for all gas mixtures tested. Gas gain for some of the mixtures is also included.

  17. Effect of fluorine on the diffusion of boron in ion implanted Si Daniel F. Downeya)

    E-print Network

    Florida, University of

    Effect of fluorine on the diffusion of boron in ion implanted Si Daniel F. Downeya) and Judy W to investigate the effects of the fluorine in BF2 implants on transient enhanced diffusion TED . By using the chemical effect of the fluorine on the TED of the B in the regrown Si to be studied independent

  18. Comparison of apparent diffusion coefficient maps to T2-weighted images for target delineation in cervix cancer brachytherapy

    PubMed Central

    Esthappan, Jacqueline; Ma, Daniel J.; Narra, Vamsidhar R.; Raptis, Constantine A.

    2011-01-01

    Purpose T2-weighted (T2W) magnetic resonance imaging (MRI) has been used for target delineation in cervix cancer brachytherapy. The objective of this study was to examine the feasibility of using diffusion-weighted magnetic resonance imaging (DWI) for target delineation as compared against T2W imaging. Material and methods Fifteen cervix cancer patients, implanted with tandem and ovoid applicators, underwent T2W turbo-spin echo imaging and DWI with a maximum diffusion factor of 800 sec/mm2 on a 1.5-T MR scanner. Apparent diffusion coefficient (ADC) maps were derived from the DWI. The gross tumor volume was manually delineated on the T2W and ADC datasets for each patient. The agreement between T2W- and ADC-delineated volumes was assessed using the Dice similarity coefficient (DSC). An algorithm was developed to compare the edge contrast of the delineated volumes on T2W images and ADC maps by calculating the percentage difference in the intensity values of selected regions of pixels inside versus outside the target contour. Results ADC-delineated volumes were generally smaller than T2W-delineated volumes, yielding a low DSC of 0.54 ± 0.22. ADC maps were found to display superior definition of the target volume edge relative to T2W images, yielding a statistically significant difference between the mean edge contrast on ADC (12.7 ± 7.7%) versus that on T2W images (4.6 ± 3.2%; p = 0.0010). Conclusions These results suggest that incorporating the use of DWI for cervix cancer brachytherapy may yield gross tumor volumes that are different from those based on T2W images alone. PMID:23346128

  19. Molecular dynamics simulation of diffusion coefficients and structural properties of some alkylbenzenes in supercritical carbon dioxide at infinite dilution

    SciTech Connect

    Wang, Jinyang; Zhong, Haimin; Qiu, Wenda; Chen, Liuping; Feng, Huajie

    2014-03-14

    The binary infinite dilute diffusion coefficients, D{sub 12}{sup ?}, of some alkylbenzenes (Ph-C{sub n}, from Ph-H to Ph-C{sub 12}) from 313 K to 333 K at 15 MPa in supercritical carbon dioxide (scCO{sub 2}) have been studied by molecular dynamics (MD) simulation. The MD values agree well with the experimental ones, which indicate MD simulation technique is a powerful way to predict and obtain diffusion coefficients of solutes in supercritical fluids. Besides, the local structures of Ph-C{sub n}/CO{sub 2} fluids are further investigated by calculating radial distribution functions and coordination numbers. It qualitatively convinces that the first solvation shell of Ph-C{sub n} in scCO{sub 2} is significantly influenced by the structure of Ph-C{sub n} solute. Meanwhile, the mean end-to-end distance, the mean radius of gyration and dihedral angle distribution are calculated to gain an insight into the structural properties of Ph-C{sub n} in scCO{sub 2}. The abnormal trends of radial distribution functions and coordination numbers can be reasonably explained in term of molecular flexibility. Moreover, the computed results of dihedral angle clarify that flexibility of long-chain Ph-C{sub n} is the result of internal rotation of C-C single bond (?{sub c-c}) in alkyl chain. It is interesting that compared with n-alkane, because of the existence of benzene ring, the flexibility of alkyl chain in Ph-C{sub n} with same carbon atom number is significantly reduced, as a result, the carbon chain dependence of diffusion behaviors for long-chain n-alkane (n ? 5) and long-chain Ph-C{sub n} (n ? 4) in scCO{sub 2} are different.

  20. A Novel Method for Measuring the Diffusion, Partition and Convective Mass Transfer Coefficients of Formaldehyde and VOC in Building Materials

    PubMed Central

    Xiong, Jianyin; Huang, Shaodan; Zhang, Yinping

    2012-01-01

    The diffusion coefficient (Dm) and material/air partition coefficient (K) are two key parameters characterizing the formaldehyde and volatile organic compounds (VOC) sorption behavior in building materials. By virtue of the sorption process in airtight chamber, this paper proposes a novel method to measure the two key parameters, as well as the convective mass transfer coefficient (hm). Compared to traditional methods, it has the following merits: (1) the K, Dm and hm can be simultaneously obtained, thus is convenient to use; (2) it is time-saving, just one sorption process in airtight chamber is required; (3) the determination of hm is based on the formaldehyde and VOC concentration data in the test chamber rather than the generally used empirical correlations obtained from the heat and mass transfer analogy, thus is more accurate and can be regarded as a significant improvement. The present method is applied to measure the three parameters by treating the experimental data in the literature, and good results are obtained, which validates the effectiveness of the method. Our new method also provides a potential pathway for measuring hm of semi-volatile organic compounds (SVOC) by using that of VOC. PMID:23145156

  1. Isospin diffusion in heavy-ion collisions and the neutron skin thickness of lead

    SciTech Connect

    Steiner, Andrew W.; Li Baoan

    2005-10-01

    The correlation between the thickness of the neutron skin in {sup 208}Pb and the degree of isospin diffusion in heavy-ion collisions is examined. The same equation of state is used to compute the degree of isospin diffusion in an isospin-dependent transport model and the neutron skin thickness in the Hartree-Fock approximation. We find that skin thicknesses less than 0.15 fm are excluded by the isospin diffusion data.

  2. Determination of diffusion coefficients of carbon dioxide in water between 268 and 473 K in a high-pressure capillary optical cell with in situ Raman spectroscopic measurements

    USGS Publications Warehouse

    Lu, Wanjun; Guo, Huirong; Chou, I.-Ming; Burruss, R.C.; Li, Lanlan

    2013-01-01

    Accurate values of diffusion coefficients for carbon dioxide in water and brine at reservoir conditions are essential to our understanding of transport behavior of carbon dioxide in subsurface pore space. However, the experimental data are limited to conditions at low temperatures and pressures. In this study, diffusive transfer of carbon dioxide in water at pressures up to 45 MPa and temperatures from 268 to 473 K was observed within an optical capillary cell via time-dependent Raman spectroscopy. Diffusion coefficients were estimated by the least-squares method for the measured variations in carbon dioxide concentration in the cell at various sample positions and time. At the constant pressure of 20 MPa, the measured diffusion coefficients of carbon dioxide in water increase with increasing temperature from 268 to 473 K. The relationship between diffusion coefficient of carbon dioxide in water [D(CO2) in m2/s] and temperature (T in K) was derived with Speedy–Angell power-law approach as: D(CO2)=D0[T/Ts-1]m where D0 = 13.942 × 10?9 m2/s, Ts = 227.0 K, and m = 1.7094. At constant temperature, diffusion coefficients of carbon dioxide in water decrease with pressure increase. However, this pressure effect is rather small (within a few percent).

  3. Assessment of apparent diffusion coefficient values as predictor of aggressiveness in peripheral zone prostate cancer: comparison with Gleason score.

    PubMed

    Anwar, Shayan Sirat Maheen; Anwar Khan, Zahid; Shoaib Hamid, Rana; Haroon, Fahd; Sayani, Raza; Beg, Madiha; Khattak, Yasir Jamil

    2014-01-01

    Purpose. To determine association between apparent diffusion coefficient value on diffusion-weighted imaging and Gleason score in patients with prostate cancer. Methods. This retrospective case series was conducted at Radiology Department of Aga Khan University between June 2009 and June 2011. 28 patients with biopsy-proven prostate cancer were included who underwent ultrasound guided sextant prostate biopsy and MRI. MRI images were analyzed on diagnostic console and regions of interest were drawn. Data were entered and analyzed on SPSS 20.0. ADC values were compared with Gleason score using one-way ANOVA test. Results. In 28 patients, 168 quadrants were biopsied and 106 quadrants were positive for malignancy. 89 lesions with proven malignancy showed diffusion restriction. The mean ADC value for disease with a Gleason score of 6 was 935?mm(2)/s (SD = 248.4?mm(2)/s); Gleason score of 7 was 837?mm(2)/s (SD = 208.5?mm(2)/s); Gleason score of 8 was 614?mm(2)/s (SD = 108?mm(2)/s); and Gleason score of 9 was 571?mm(2)/s (SD = 82?mm(2)/s). Inverse relationship was observed between Gleason score and mean ADC values. Conclusion. DWI and specifically quantitative ADC values may help differentiate between low-risk (Gleason score, 6), intermediate-risk (Gleason score, 7), and high-risk (Gleason score 8 and 9) prostate cancers, indirectly determining the aggressiveness of the disease. PMID:24967293

  4. Simultaneous identification of diffusion and absorption coefficients in a quasilinear elliptic problem

    NASA Astrophysics Data System (ADS)

    Egger, Herbert; Pietschmann, Jan-Frederik; Schlottbom, Matthias

    2014-03-01

    In this work, we consider the identifiability of two coefficients a(u) and c(x) in a quasilinear elliptic partial differential equation from the observation of the Dirichlet-to-Neumann map. We use a linearization procedure due to Isakov (1993 Arch. Ration. Mech. Anal. 124 1-12) and special singular solutions to first determine a(0) and c(x) for x ? ?. Based on this partial result, we are then able to determine a(u) for u \\in {R} by an adjoint approach.

  5. Surface diffusion activation energy determination using ion beam microtexturing

    NASA Technical Reports Server (NTRS)

    Rossnagel, S. M.; Robinson, R. S.

    1982-01-01

    The activation energy for impurity atom (adatom) surface diffusion can be determined from the temperature dependence of the spacing of sputter cones. These cones are formed on the surface during sputtering while simultaneously adding impurities. The impurities form clusters by means of surface diffusion, and these clusters in turn initiate cone formation. Values are given for the surface diffusion activation energies for various materials on polycrystalline Cu, Al, Pb, Au, and Ni. The values for different impurity species on each of these substrates are approximately independent of impurity species within the experimental uncertainty, suggesting the absence of strong chemical bonding effects on the diffusion.

  6. Assessment of treatment response by total tumor volume and global apparent diffusion coefficient using diffusion-weighted MRI in patients with metastatic bone disease: a feasibility study.

    PubMed

    Blackledge, Matthew D; Collins, David J; Tunariu, Nina; Orton, Matthew R; Padhani, Anwar R; Leach, Martin O; Koh, Dow-Mu

    2014-01-01

    We describe our semi-automatic segmentation of whole-body diffusion-weighted MRI (WBDWI) using a Markov random field (MRF) model to derive tumor total diffusion volume (tDV) and associated global apparent diffusion coefficient (gADC); and demonstrate the feasibility of using these indices for assessing tumor burden and response to treatment in patients with bone metastases. WBDWI was performed on eleven patients diagnosed with bone metastases from breast and prostate cancers before and after anti-cancer therapies. Semi-automatic segmentation incorporating a MRF model was performed in all patients below the C4 vertebra by an experienced radiologist with over eight years of clinical experience in body DWI. Changes in tDV and gADC distributions were compared with overall response determined by all imaging, tumor markers and clinical findings at serial follow up. The segmentation technique was possible in all patients although erroneous volumes of interest were generated in one patient because of poor fat suppression in the pelvis, requiring manual correction. Responding patients showed a larger increase in gADC (median change = +0.18, range = -0.07 to +0.78 × 10(-3) mm2/s) after treatment compared to non-responding patients (median change = -0.02, range = -0.10 to +0.05 × 10(-3) mm2/s, p = 0.05, Mann-Whitney test), whereas non-responding patients showed a significantly larger increase in tDV (median change = +26%, range = +3 to +284%) compared to responding patients (median change = -50%, range = -85 to +27%, p = 0.02, Mann-Whitney test). Semi-automatic segmentation of WBDWI is feasible for metastatic bone disease in this pilot cohort of 11 patients, and could be used to quantify tumor total diffusion volume and median global ADC for assessing response to treatment. PMID:24710083

  7. Assessment of Treatment Response by Total Tumor Volume and Global Apparent Diffusion Coefficient Using Diffusion-Weighted MRI in Patients with Metastatic Bone Disease: A Feasibility Study

    PubMed Central

    Blackledge, Matthew D.; Collins, David J.; Tunariu, Nina; Orton, Matthew R.; Padhani, Anwar R.; Leach, Martin O.; Koh, Dow-Mu

    2014-01-01

    We describe our semi-automatic segmentation of whole-body diffusion-weighted MRI (WBDWI) using a Markov random field (MRF) model to derive tumor total diffusion volume (tDV) and associated global apparent diffusion coefficient (gADC); and demonstrate the feasibility of using these indices for assessing tumor burden and response to treatment in patients with bone metastases. WBDWI was performed on eleven patients diagnosed with bone metastases from breast and prostate cancers before and after anti-cancer therapies. Semi-automatic segmentation incorporating a MRF model was performed in all patients below the C4 vertebra by an experienced radiologist with over eight years of clinical experience in body DWI. Changes in tDV and gADC distributions were compared with overall response determined by all imaging, tumor markers and clinical findings at serial follow up. The segmentation technique was possible in all patients although erroneous volumes of interest were generated in one patient because of poor fat suppression in the pelvis, requiring manual correction. Responding patients showed a larger increase in gADC (median change?=?+0.18, range?=??0.07 to +0.78×10?3 mm2/s) after treatment compared to non-responding patients (median change?=??0.02, range?=??0.10 to +0.05×10?3 mm2/s, p?=?0.05, Mann-Whitney test), whereas non-responding patients showed a significantly larger increase in tDV (median change?=?+26%, range?=?+3 to +284%) compared to responding patients (median change?=??50%, range?=??85 to +27%, p?=?0.02, Mann-Whitney test). Semi-automatic segmentation of WBDWI is feasible for metastatic bone disease in this pilot cohort of 11 patients, and could be used to quantify tumor total diffusion volume and median global ADC for assessing response to treatment. PMID:24710083

  8. Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models

    E-print Network

    Subramanian, Venkat

    Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models or approximation for the solid phase. One of the major difficulties in simulating Li-ion battery models is the need typically solve electrolyte con- centration, electrolyte potential, solid-state potential, and solid-state

  9. Erbium diffusion in silicon dioxide

    SciTech Connect

    Lu Yingwei; Julsgaard, B.; Petersen, M. Christian; Jensen, R. V. Skougaard; Pedersen, T. Garm; Pedersen, K.; Larsen, A. Nylandsted

    2010-10-04

    Erbium diffusion in silicon dioxide layers prepared by magnetron sputtering, chemical vapor deposition, and thermal growth has been investigated by secondary ion mass spectrometry, and diffusion coefficients have been extracted from simulations based on Fick's second law of diffusion. Erbium diffusion in magnetron sputtered silicon dioxide from buried erbium distributions has in particular been studied, and in this case a simple Arrhenius law can describe the diffusivity with an activation energy of 5.3{+-}0.1 eV. Within a factor of two, the erbium diffusion coefficients at a given temperature are identical for all investigated matrices.

  10. The use of MR-detectable reporter molecules and ions to evaluate diffusion in normal and ischemic brain.

    PubMed

    Ackerman, Joseph J H; Neil, Jeffrey J

    2010-08-01

    As a result of the technical challenges associated with distinguishing the MR signals arising from intracellular and extracellular water, a variety of endogenous and exogenous MR-detectable molecules and ions have been employed as compartment-specific reporters of water motion. Although these reporter molecules and ions do not have the same apparent diffusion coefficients (ADCs) as water, their ADCs are assumed to be directly related to the ADC of the water in which they are solvated. This approach has been used to probe motion in the intra- and extracellular space of cultured cells and intact tissue. Despite potential interpretative challenges with the use of reporter molecules or ions and the wide variety used, the following conclusions are consistent considering all studies: (i) the apparent free diffusive motion in the intracellular space is approximately one-half of that in dilute aqueous solution; (ii) ADCs for intracellular and extracellular water are similar; (iii) the intracellular ADC decreases in association with brain injury. These findings provide support for the hypothesis that the overall brain water ADC decrease that accompanies brain injury is driven primarily by a decrease in the ADC of intracellular water. We review the studies supporting these conclusions, and interpret them in the context of explaining the decrease in overall brain water ADC that accompanies brain injury. PMID:20669147

  11. Li Ion Diffusion Mechanisms in Bulk Monoclinic Li2CO3 Crystals from Density Functional Studies

    SciTech Connect

    Iddir, Hakim; Curtiss, Larry A.

    2010-12-09

    Density functional studies of Li+ ion diffusion mechanisms in bulk monoclinic lithium carbonate Li2CO3 crystals are performed to identify the stable Li+ interstitial positions and migration barriers. The migration barrier for Li+ diffusion between the planes defined by Li2CO3 units along the open channels [010] is found to be very small at 0.28 eV, while a higher migration barrier of 0.60 eV was found for the diffusion across the planes. These results show that diffusion of Li+ in Li2CO3 is favorable along the [010] channels. The implications for Li+ ion transport in solid electrolyte interphases (SEI) in Li ion batteries are discussed.

  12. Ion chamber absorbed dose calibration coefficients, N{sub D,w}, measured at ADCLs: Distribution analysis and stability

    SciTech Connect

    Muir, B. R.

    2015-04-15

    Purpose: To analyze absorbed dose calibration coefficients, N{sub D,w}, measured at accredited dosimetry calibration laboratories (ADCLs) for client ionization chambers to study (i) variability among N{sub D,w} coefficients for chambers of the same type calibrated at each ADCL to investigate ion chamber volume fluctuations and chamber manufacturing tolerances; (ii) equivalency of ion chamber calibration coefficients measured at different ADCLs by intercomparing N{sub D,w} coefficients for chambers of the same type; and (iii) the long-term stability of N{sub D,w} coefficients for different chamber types by investigating repeated chamber calibrations. Methods: Large samples of N{sub D,w} coefficients for several chamber types measured over the time period between 1998 and 2014 were obtained from the three ADCLs operating in the United States. These are analyzed using various graphical and numerical statistical tests for the four chamber types with the largest samples of calibration coefficients to investigate (i) and (ii) above. Ratios of calibration coefficients for the same chamber, typically obtained two years apart, are calculated to investigate (iii) above and chambers with standard deviations of old/new ratios less than 0.3% meet stability requirements for accurate reference dosimetry recommended in dosimetry protocols. Results: It is found that N{sub D,w} coefficients for a given chamber type compared among different ADCLs may arise from differing probability distributions potentially due to slight differences in calibration procedures and/or the transfer of the primary standard. However, average N{sub D,w} coefficients from different ADCLs for given chamber types are very close with percent differences generally less than 0.2% for Farmer-type chambers and are well within reported uncertainties. Conclusions: The close agreement among calibrations performed at different ADCLs reaffirms the Calibration Laboratory Accreditation Subcommittee process of ensuring ADCL conformance with National Institute of Standards and Technology standards. This study shows that N{sub D,w} coefficients measured at different ADCLs are statistically equivalent, especially considering reasonable uncertainties. This analysis of N{sub D,w} coefficients also allows identification of chamber types that can be considered stable enough for accurate reference dosimetry.

  13. Na and Li ion diffusion in modified ASTM C 1260 test by Magnetic Resonance Imaging (MRI)

    SciTech Connect

    Feng, X. Balcom, B.J.; Thomas, M.D.A.; Bremner, T.W.

    2008-12-15

    In the current study, MRI was applied to investigate lithium and sodium ion diffusion in cement paste and mortars containing inert sand and borosilicate glass. Paste and mortars were treated by complying with ASTM C 1260. Lithium and sodium distribution profiles were collected at different ages after different treatments. Results revealed that sodium ions had a greater diffusion rate than lithium ions, suggesting that Na reaches the aggregate particle surface before Li. Results also showed that Na and Li ions had a competitive diffusion process in mortars; soaking in a solution with higher [Li] favored Li diffusion but hindered Na diffusion. In mortars containing glass, a substantial amount of Li was consumed by the formation of ASR products. When [Li] in soaking solution was reduced to 0.37 N, a distinctive Na distribution profile was observed, indicating the free-state Na ions were continuously transformed to solid reaction products by ASR. Hence, in the modified ASTM C 1260 test, [Li] in the storage solution should be controlled at 0.74 N, in order to completely prevent the consumption of Na ions and thus stop ASR.

  14. Kinetics Tuning of Li-Ion Diffusion in Layered Li(NixMnyCoz)O2.

    PubMed

    Wei, Yi; Zheng, Jiaxin; Cui, Suihan; Song, Xiaohe; Su, Yantao; Deng, Wenjun; Wu, Zhongzhen; Wang, Xinwei; Wang, Weidong; Rao, Mumin; Lin, Yuan; Wang, Chongmin; Amine, Khalil; Pan, Feng

    2015-07-01

    Using ab initio calculations combined with experiments, we clarified how the kinetics of Li-ion diffusion can be tuned in LiNixMnyCozO2 (NMC, x + y + z = 1) materials. It is found that Li-ions tend to choose oxygen dumbbell hopping (ODH) at the early stage of charging (delithiation), and tetrahedral site hopping (TSH) begins to dominate when more than 1/3 Li-ions are extracted. In both ODH and TSH, the Li-ions surrounded by nickel (especially with low valence state) are more likely to diffuse with low activation energy and form an advantageous path. The Li slab space, which also contributes to the effective diffusion barriers, is found to be closely associated with the delithiation process (Ni oxidation) and the contents of Ni, Co, and Mn. PMID:26098282

  15. The dependence of the surface diffusion coefficients of gold atoms on the potential: its influence on reconstruction of metal lattices

    NASA Astrophysics Data System (ADS)

    Doña, J. M.; González-Velasco, J.

    1992-08-01

    By using a method based on the time dependence of the surface roughness factor of electrodispersed gold electrodes it was possible to estimate values of the surface diffusion coefficients (Ds) of gold atoms in contact with an 1M HClO4 electrolytic solution at room temperature and as a function of the potential. The exponential growth of Ds with E at potentials positive with respect to the zero charge potential (Ez), is interpreted as a consequence of the increase in the surface mobility of gold atoms, associated with their growing interactions with species in the electrolyte (water molecules), and the consequent decrease of their interactions with bulk gold atoms, i.e. with the loss in metallic character inherent in the use of individual orbitais in the formation of covalent bonds with hydroxyls arising from water molecules.

  16. Dialectical multispectral classification of diffusion-weighted magnetic resonance images as an alternative to apparent diffusion coefficients maps to perform anatomical analysis.

    PubMed

    Santos, W P; Assis, F M; Souza, R E; Santos Filho, P B; Lima Neto, F B

    2009-09-01

    Multispectral image analysis is a relatively promising field of research with applications in several areas, such as medical imaging and satellite monitoring. A considerable number of current methods of analysis are based on parametric statistics. Alternatively, some methods in computational intelligence are inspired by biology and other sciences. Here we claim that philosophy can be also considered as a source of inspiration. This work proposes the objective dialectical method (ODM): a method for classification based on the philosophy of praxis. ODM is instrumental in assembling evolvable mathematical tools to analyze multispectral images. In the case study described in this paper, multispectral images are composed of diffusion-weighted (DW) magnetic resonance (MR) images. The results are compared to ground-truth images produced by polynomial networks using a morphological similarity index. The classification results are used to improve the usual analysis of the apparent diffusion coefficient map. Such results proved that gray and white matter can be distinguished in DW-MR multispectral analysis and, consequently, DW-MR images can also be used to furnish anatomical information. PMID:19446434

  17. A speckle-photometry method of measurement of thermal diffusion coefficient of porous anodic alumina structures intended for optical sensing

    NASA Astrophysics Data System (ADS)

    Mukhurov, N.; Maschenko, A.; Khilo, N.; Ropot, P.

    2011-05-01

    A highly ordered structure and a relatively simple method of obtaining porous anodic alumina (PAA) have been attracting the attention of researchers to the potentialities of using such material in various fields of science and technology. The PAA- technology is oriented to mass production, does not require the use of expensive modern lithography and evaporation equipment. The technology makes it possible to produce PAA layers in a wide thickness range (0.1 - 800 ?m) and with a spatially ordered system of pores whose diameter and periodicity can be changed within the range from tens to hundreds of nanometers. By filling nanopores with conductive, semiconductive and dielectric materials or their combinations, possibilities arise of making micro-sensors based on various physical, chemical and biological effects. For numerous applications, there is a promising development direction associated with modification of PAA structures with nano-diamonds. To control the modification process and for subsequent use of films in energyabsorbing sensor systems, a real-time measurement is required of their thermal and physical parameters, and, in particular, the coefficient of thermal diffusion (CTD). In this report an optical method for determining CTD is developed which is based on an analysis of the spatialtemporal dynamics of the speckle field. The proposed method for measuring the coefficient of thermal diffusion is based on the measurement of an average speed of the speckle-field movement along the specimen surface. Due to statistical nature of speckles, their movement must be also described statistically. Our approach consists in the use of correlation functions describing the degree of change in a speckle-image of some element of the surface in the process of heating or cooling. The proposed method is fully optical, fast, non-invasive and can be customized for specific applications. Optical measurement of CTD has been carried out for PAA structures both modified and not modified with nano-diamonds. High resolution allows one to measure spatial inhomogeneities of thermophysical properties of PAA- films.

  18. Calculation of the convective heat transfer coefficient and thermal diffusivity of cucumbers using numerical simulation and the inverse method.

    PubMed

    da Silva, Wilton Pereira; E Silva, Cleide M D P S

    2014-09-01

    Cooling of fruits and vegetables, immediately after the harvest, has been a widely used method for maximizing post-harvest life. In this paper, an optimization algorithm and a numerical solution are used to determine simultaneously the convective heat transfer coefficient, hH, and the thermal diffusivity, ?, for an individual solid with cylindrical shape, using experimental data obtained during its cooling. To this end, the one-dimensional diffusion equation in cylindrical coordinates is discretized and numerically solved through the finite volume method, with a fully implicit formulation. This solution is coupled to an optimizer based on the inverse method, in which the chi-square referring to the fit of the numerical simulation to the experimental data is used as objective function. The optimizer coupled to the numerical solution was applied to experimental data relative to the cooling of a cucumber. The obtained results for ? and hH were coherent with the values available in the literature. With the results obtained in the optimization process, the cooling kinetics of cucumbers was described in details. PMID:25190830

  19. Ions in water: Role of attractive interactions in size dependent diffusivity maximum

    NASA Astrophysics Data System (ADS)

    Borah, Bhaskar J.; Yashonath, S.

    2010-09-01

    A molecular dynamics study of model ions in water is reported. The van der Waals diameter of both the cations and anions is varied. We have carried out two sets of simulations—with and without dispersion interaction—between the ion and water. Self-diffusivity of the ions exhibits an anomalous maximum as a function of the van der Waals diameter for both these sets. This existence of a maximum in self-diffusivity when there is no dispersion interaction between the ion and the water is attributed to the attractive term from electrostatic interactions. Detailed analysis of this effect shows that the solvent shell is more strongly defined in the presence of dispersion interactions. A smaller ion exhibits biexponential decay while a single exponential decay is seen for the ion with maximum diffusivity in the self-part of the intermediate scattering function. The solvent structure around the ion appears to determine much of the dynamics of the ion. Interesting trends are seen in the activation energies and these can be understood in terms of the levitation effect.

  20. The Role of Apparent Diffusion Coefficient Quantification in Differentiating Benign and Malignant Renal Masses by 3 Tesla Magnetic Resonance Imaging

    PubMed Central

    Göya, Cemil; Hamidi, Cihad; Bozkurt, Ya?ar; Yavuz, Alpaslan; Kuday, Suzan; Gümü?, Hatice; Türkçü, Gül; Hattapo?lu, Salih; Bilici, Aslan

    2015-01-01

    Background: Diffusion-weighted magnetic resonance imaging (DWI) is a widely-accepted diagnostic modality whose efficacy has been investigated by numerous past studies in the differentiation of malignant lesions from benign entities. Aims: The aim of this study was to evaluate the efficiency of diffusion-weighted magnetic resonance imaging in the characterization of renal lesions. Study Design: Diagnostic accuracy study. Methods: A total of 137 patients with renal lesions were included in this study. The median apparent diffusion coefficient (ADC) values as well as the b 800 and b 1600 signal intensities of normal kidneys, solid components of mixed renal masses, and total cystic lesions were evaluated. Results: There were significant differences between the ADC values of lesions and normal renal parenchyma, and between the ADC values of benign and malignant renal lesions on DWIs at b values of 800 and 1600 s/mm2 (p<0.001 and p<0.001, respectively). There were significant differences between the ADC values of Bosniak Category 1 and 2 cysts and the ADC values of Bosniak Category 1 and 3 cysts on DWIs at b values of 800 s/mm2 (p<0.001) and 1600 s/mm2 (p<0.001). A cutoff value of 1.902 × 10?3 mm2/s for the ADC with a b value of 800 s/mm2 provided 88% sensitivity and 96% specificity for differentiation between benign and malignant renal lesions. A cutoff value of 1.623 × 10?3 mm2/s for the ADC with a b value of 1600 s/mm2 provided 79% sensitivity and 96% specificity (p<0.001) for the differentiation between benign and malignant renal lesions. Conclusion: Accurate assessment of renal masses is important for determining the necessity for surgical intervention. DWI provides additional value by differentiating benign from malignant renal tumors and can be added to routine kidney MRI protocols. PMID:26185715

  1. Particle Diffusion in Dust Grains

    NASA Astrophysics Data System (ADS)

    Pavlu, Jiri; Richterova, Ivana; Nemecek, Zdenek; Safrankova, Jana; Pechal, Radim

    Energetic ions/neutrals interacting with dust grains are implanted into dust grains and, consequently, the density gradient induces their diffusion back towards the grain surface. The diffusion coefficient strongly depends on temperature, thus, neutrals can be transported over large distances or across boundaries. In our laboratory experiment, measurements of the diffusion coefficient of the particles implanted into the dust grain are carried out in an electrodynamic quadrupole trap. The experimental setup is not capable of an assessment of the dust grain temperature, however, the temperature can be modified via a change of the ambient radiation. We present measurements of diffusion coefficients and discuss several implications for the space dust.

  2. First-principles binary diffusion coefficients for H, H{sub 2}, and four normal alkanes + N{sub 2}

    SciTech Connect

    Jasper, Ahren W. Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.

    2014-09-28

    Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N{sub 2}. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N{sub 2} and H{sub 2} + N{sub 2} and with recent experimental results for C{sub n}H{sub 2n+2} + N{sub 2}, n = 2–4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R{sup ?12} repulsive interactions. The effect of anisotropy is found to be negligible for H + N{sub 2} and H{sub 2} + N{sub 2} (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N{sub 2} by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R{sup ?12} interaction is a significant source of error at all temperatures for the weakly interacting systems H + N{sub 2} and H{sub 2} + N{sub 2}, with errors as large as 40%. For the normal alkanes in N{sub 2}, which feature stronger interactions, the 12/6 Lennard–Jones approximation is found to be accurate, particularly at temperatures above ?700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard–Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N{sub 2}. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. A straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N{sub 2} is presented and is estimated to have a 2-sigma error bar of only 0.7%.

  3. Ion diffusion at the bonding interface of undoped YAG/Yb:YAG composite ceramics

    NASA Astrophysics Data System (ADS)

    Fujioka, Kana; Sugiyama, Akira; Fujimoto, Yasushi; Kawanaka, Junji; Miyanaga, Noriaki

    2015-08-01

    Cation diffusion across a boundary between ytterbium (Yb)-doped and undoped yttrium aluminum garnet (YAG) ceramics was examined by electron microprobe analysis (EPMA). Polished Yb:YAG and undoped YAG ceramics were bonded by surface treatment with argon fast atom beam, and then heat-treated at 1400 or 1600 °C for 50 h or at 1400 °C for 10 h under vacuum. We obtained EPMA mapping images of the bonded samples that clearly showed the bulk and grain-boundary diffusion of Y and Yb ions. The number density profiles showed that the total diffusion distances of Yb and Y ions were almost equal and approximately 2 and 15 ?m at 1400 and 1600 °C, respectively, and the dependence of diffusion distance on heating time was weak. The diffusion curves were well modeled by Harrison type B kinetics including bulk and grain-boundary diffusion. In addition, it was found that Si ions added to the samples as a sintering aid might be segregated at the grain boundary by heat treatment, and diffused only along grain boundaries.

  4. Calculation of the fractional interstitial component of boron diffusion and segregation coefficient of boron in Si0.8Ge0.2

    NASA Astrophysics Data System (ADS)

    Fang, Tilden T.; Fang, Wingra T. C.; Griffin, Peter B.; Plummer, James D.

    1996-02-01

    Investigation of boron diffusion in strained silicon germanium buried layers reveals a fractional interstitial component of boron diffusion (fBI) in Se0.8Ge0.2 approximately equal to the fBI value in silicon. In conjunction with computer-simulated boron profiles, the results yield an absolute lower-bound of fBI in Si0.8Ge0.2 of ˜0.8. In addition, the experimental methodology provides a unique vehicle for measuring the segregation coefficient; oxidation-enhanced diffusion is used instead of an extended, inert anneal to rapidly diffuse the dopant to equilibrium levels across the interface, allowing the segregation coefficient to be measured more quickly.

  5. Diffusion or bounce back in relativistic heavy-ion collisions?

    E-print Network

    Georg Wolschin; Minoru Biyajima; Takuya Mizoguchi

    2008-03-12

    The time evolution of pseudorapidity distributions of produced charged hadrons in d+Au collisions at sqrt(s_NN) = 200 GeV is investigated. Results of a nonequilibrium-statistical Relativistic Diffusion Model with three sources are compared with a macroscopic "bounce back" model that does not allow for statistical equilibration at large times, but instead leads to motion reversal. When compared to the data, the results of the diffusion approach are more precise, thus emphasizing that the system is observed to be on its way to thermal equilibrium.

  6. Contribution to the benchmark for ternary mixtures: Measurement of diffusion and Soret coefficients in 1,2,3,4-tetrahydronaphthalene, isobutylbenzene, and dodecane onboard the ISS.

    PubMed

    Khlybov, Oleg A; Ryzhkov, Ilya I; Lyubimova, Tatyana P

    2015-04-01

    The paper is devoted to processing the data of DCMIX 1 space experiment. In this experiment, the Optical digital interferometry was used to measure the diffusion and Soret coefficients in the ternary mixture of 1,2,3,4-tetrahydronaphthalene, isobutylbenzene and n-dodecane at mass fractions of 0.8/0.1/0.1 and at 25°C. The raw interferometric images were processed to obtain the temporal and spatial evolution of refractive indices for two laser beams of different wavelengths. The method for extracting the diffusion and thermal diffusion coefficients originally developed for optical beam deflection was extended to optical digital interferometry allowing for the spatial variation of refractive index along the diffusion path. The method was validated and applied to processing the data for Soret and diffusion steps in 5 experimental runs. The obtained results for the Soret coefficients and one of the eigenvalues of diffusion matrix showed acceptable agreement within each step. The second eigenvalue was not determined with sufficient accuracy. PMID:25916235

  7. Counterion diffusivity measurements support ion atmosphere relaxation control of electron transfer rates in a semi-solid ruthenium complex molten salt

    NASA Astrophysics Data System (ADS)

    Wang, Wei; Lee, Dongil; Leone, Anthony M.; Murray, Royce W.

    2005-12-01

    Molten salts of ruthenium complexes [Ru(bpy(CO 2MePEG 350) 2) 3] [X] 2 have been prepared in which the counterion X is either perchlorate ion or mixtures of perchlorate and iodide ions in mole ratios of either 8:2 or 7:3. Cyclic voltammetry in dilute, fluid solutions and in undiluted, semi-solid films of the iodide-containing molten salt shows two well-resolved iodide oxidation peaks and an anodic Ru(II/III) wave. The average diffusion coefficients of the counterions were obtained by ionic conductivity impedance measurements, while that of iodide (as a surrogate for perchlorate ion transport) was measured directly using iodide voltammetry. Agreement between the conductivity-based and Faradaic counterion transport data provides a quantitative validation of previous use of ionic conductivity data in study of the ion atmosphere relaxation model for electron transfer rate control in semi-solid redox hybrid polyether melts. A second purpose of this report is examination of the ion atmosphere relaxation model with the Ru complex melts. In this model, electron transfer rate constants are controlled by post-electron transfer relaxation of counterion distribution around the donor-acceptor pair - else back-transfer occurs. The electron transfer rate constants as a result reflect counterion diffusion rates, not their intrinsic values. The Ru(III/II) electron transfer rate constants in the [Ru(bpy(CO 2MePEG 350) 2) 3][X] 2 melts indeed vary linearly with counterion diffusion coefficients in a manner consistent with ion atmosphere relaxation electron transfer rate control.

  8. Specific Ions Modulate Diffusion Dynamics of Hydration Water on Lipid Membrane Surfaces

    PubMed Central

    2015-01-01

    Effects of specific ions on the local translational diffusion of water near large hydrophilic lipid vesicle surfaces were measured by Overhauser dynamic nuclear polarization (ODNP). ODNP relies on an unpaired electron spin-containing probe located at molecular or surface sites to report on the dynamics of water protons within ?10 Å from the spin probe, which give rise to spectral densities for electron–proton cross-relaxation processes in the 10 GHz regime. This pushes nuclear magnetic resonance relaxometry to more than an order of magnitude higher frequencies than conventionally feasible, permitting the measurement of water moving with picosecond to subnanosecond correlation times. Diffusion of water within ?10 Å of, i.e., up to ?3 water layers around the spin probes located on hydrophilic lipid vesicle surfaces is ?5 times retarded compared to the bulk water translational diffusion. This directly reflects on the activation barrier for surface water diffusion, i.e., how tightly water is bound to the hydrophilic surface and surrounding waters. We find this value to be modulated by the presence of specific ions in solution, with its order following the known Hofmeister series. While a molecular description of how ions affect the hydration structure at the hydrophilic surface remains to be answered, the finding that Hofmeister ions directly modulate the surface water diffusivity implies that the strength of the hydrogen bond network of surface hydration water is directly modulated on hydrophilic surfaces. PMID:24456096

  9. Collisional stochastic ripple diffusion of alpha particles and beam ions on TFTR

    SciTech Connect

    Redi, M.H.; Zarnstorff, M.C,; White, R.B.; Budny, R.V.; Schivell, J.F.; Scott, S.D.; Zweben, S.J.

    1994-09-01

    Predictions for ripple loss of fast ions from TFTR are investigated with a guiding center including both collisional and ripple effects. Discrepancies between measurements and calculations of plasma beta at low current and large major radius are resolved when both effects are included for neutral beam ions. A synergistic enhancement of fast ion diffusion is found for toroidal field ripple with collisions. S = 5.4 for neutral beam ions and S = 1.4--2.4 for alpha particles. A 20--30% reduction in alpha particle heating is predicted for R = 2.6 m DT plasmas on TFTR due to first orbit and collisional stochastic ripple diffusion, although these losses will be reduced if q{sub a} and R are smaller, as for most planned DT experiments.

  10. Using the apparent diffusion coefficient to identifying MGMT promoter methylation status early in glioblastoma: importance of analytical method

    SciTech Connect

    Rundle-Thiele, Dayle; Day, Bryan; Stringer, Brett; Fay, Michael; Martin, Jennifer; Jeffree, Rosalind L; Thomas, Paul; Bell, Christopher; Salvado, Olivier; Gal, Yaniv; Coulthard, Alan; Crozier, Stuart; Rose, Stephen

    2015-06-15

    Accurate knowledge of O{sup 6}-methylguanine methyltransferase (MGMT) gene promoter subtype in patients with glioblastoma (GBM) is important for treatment. However, this test is not always available. Pre-operative diffusion MRI (dMRI) can be used to probe tumour biology using the apparent diffusion coefficient (ADC); however, its ability to act as a surrogate to predict MGMT status has shown mixed results. We investigated whether this was due to variations in the method used to analyse ADC. We undertook a retrospective study of 32 patients with GBM who had MGMT status measured. Matching pre-operative MRI data were used to calculate the ADC within contrast enhancing regions of tumour. The relationship between ADC and MGMT was examined using two published ADC methods. A strong trend between a measure of ‘minimum ADC’ and methylation status was seen. An elevated minimum ADC was more likely in the methylated compared to the unmethylated MGMT group (U = 56, P = 0.0561). In contrast, utilising a two-mixture model histogram approach, a significant reduction in mean measure of the ‘low ADC’ component within the histogram was associated with an MGMT promoter methylation subtype (P < 0.0246). This study shows that within the same patient cohort, the method selected to analyse ADC measures has a significant bearing on the use of that metric as a surrogate marker of MGMT status. Thus for dMRI data to be clinically useful, consistent methods of data analysis need to be established prior to establishing any relationship with genetic or epigenetic profiling.

  11. First-principles study of lithium ion diffusion in crystalline ?-Li3PS4 for solid state electrolytes

    NASA Astrophysics Data System (ADS)

    Lim, Myung-Soo; Jhi, Seung-Hoon

    2013-03-01

    The safety and stability are major issues to resolve in developing high-capacity lithium secondary batteries, particularly for application to electric vehicles. Solid-state lithium-ion electrolytes have been studied as a substitute of liquid electrolytes in order to enhance the stability and increase the energy density. However, low ion-mobility and poor material integrity are limiting the use of the solid electrolytes. We study the lithium-ion diffusion in crystalline ? - Li 3 PS 4 usingfirst - principlesmethodsandthe nudged elastic band method. Considering diffusion paths through both interstitials and vacancy exchanges, we calculate the migration energies of lithium ions. Our results suggest that lithium ion diffusion is likely to occur through the zigzag-shaped paths along the b-direction that comprises of two lithium ion sites with fractional occupancy factors. We discuss the implication of our calculations for understanding the lithium ion diffusion in solid electrolytes.

  12. Stochastic diffusion of ions due to a finite set of lower hybrid waves.

    PubMed

    Tozawa, Lucio M; Ziebell, Luiz F

    2002-11-01

    In this paper we generalize the discussion on stochastic diffusion of energetic ions by lower hybrid waves by considering a case where a set of waves with similar frequencies is present in the system. In the particular case of a finite number of coherent waves, we show that the threshold for stochastic diffusion is reduced in comparison with the threshold in the one-wave case, and that the ensuing particle diffusion in velocity space occurs in periodic bursts along the time evolution. In the more general case of a set of waves with random phases, we have obtained even more efficient long-term diffusion in velocity space, for the same number of waves, although the initial diffusion rate can be smaller than in the case of coherent waves. PMID:12513609

  13. Li-ion diffusion in Li4Ti5O12 and LiTi2O4 battery materials detected by muon spin spectroscopy

    NASA Astrophysics Data System (ADS)

    Sugiyama, Jun; Nozaki, Hiroshi; Umegaki, Izumi; Mukai, Kazuhiko; Miwa, Kazutoshi; Shiraki, Susumu; Hitosugi, Taro; Suter, Andreas; Prokscha, Thomas; Salman, Zaher; Lord, James S.; Mânsson, Martin

    2015-07-01

    Lithium diffusion in spinel Li4Ti5O12 and LiTi2O4 compounds for future battery applications has been studied with muon spin relaxation (?+SR ) . Measurements were performed on both thin-film and powder samples in the temperature range between 25 and 500 K. For Li4Ti5O12 and above about ˜200 K , the field distribution width (? ) is found to decrease gradually, while the field fluctuation rate (? ) increases exponentially with temperature. For LiTi2O4 , on the contrary, the ? (T ) curve shows a steplike decrease at ˜350 K , around which the ? (T ) curve exhibits a local maximum. These behaviors suggest that Li+ starts to diffuse above around 200 K for both spinels. Assuming a jump diffusion of Li+ at the tetrahedral 8 a site to the vacant octahedral 16 c site, diffusion coefficients of Li+ at 300 K in the film samples are estimated as (3.2 ±0.8 ) ×10-11 cm2/s for Li4Ti5O12 and (3.6 ±1.1 ) ×10-11 cm2/s for LiTi2O4 . Further, some small differences are found in both thermal activation energies and Li-ion diffusion coefficients between the powder and thin-film samples.

  14. Investigation of Relationships Between Transverse Relaxation Rate, Diffusion Coefficient, and Labeled Cell Concentration in Ischemic Rat Brain Using MRI

    PubMed Central

    Athiraman, Hemanthkumar; Jiang, Quan; Ding, Guang Liang; Zhang, Li; Zhang, Zheng Gang; Wang, Lei; Arbab, Ali S.; Li, Qingjiang; Panda, Swayam; Ledbetter, Karen; Rad, Ali M.; Chopp, Michael

    2009-01-01

    MRI has been used to evaluate labeled cell migration and distribution. However, quantitative determination of labeled cell concentration using MRI has not been systematically investigated. In the current study, we investigated the relationships between labeled cell concentration and MRI parameters of transverse relaxation rate, R2, and apparent diffusion coefficient (ADC), in vitro in phantoms and in vivo in rats after stroke. Significant correlations were detected between iron concentration or labeled cell concentration and MRI measurements of R2, ADC, and ADC×R2 in vitro. In contrast, in vivo labeled cell concentration did not significantly correlate with R2, ADC, and ADC×R2. A major factor for the absence of a significant correlation between labeled cell concentration and MRI measurements in vivo may be attributed to background effects of ischemic tissue. By correcting the background effects caused by ischemic damage, ?R2 (difference in R2 values in the ischemic tissue with and without labeled cells) exhibited a significant correlation to labeled cell concentration. Our study suggests that MRI parameters have the potential to quantitatively determine labeled cell concentration in vivo. PMID:19107898

  15. Investigation of Inter-Ion Species Diffusion in Inertial Confinement Fusion Implosions

    NASA Astrophysics Data System (ADS)

    Herrmann, Hans W.; Kim, Yongho; Hoffman, Nelson M.; Schmitt, Mark J.; Kagan, Grigory; Batha, Steven H.; Garbett, Warren J.; Horsfield, Colin J.; Rubery, Michael S.; Gales, Steven

    2014-10-01

    Anomalous fusion yield degradation has been observed for gas fill mixtures in inertial confinement fusion (ICF) implosions. These mixtures have included D/3He [Rygg et al., Phys Plasmas 13, 052702 (2006)], D/T/3He [Herrmann et al., Phys Plasmas 16, 056312 (2009)], D/Ar [Lindl et al., Phys Plasmas 11, 339 (2004)] and even D/T [Casey et al., PRL 108, 075005 (2012)]. Fuel ion segregation has been suggested as a possible cause [Amendt et al., PRL 18, 056308 (2011); Kagan et al., Phys Lett. A 10.1016 (2014)]. Segregation may be caused by inter-ion species diffusion driven by gradients in plasma pressure, temperature and electric field, either across a relatively narrow shock boundary or across the entire interior of the compressed capsule. It is expected that lower Z &/or A ions will diffuse outward while higher Z &/or A diffuse inward. In the case of D/T/3He, the 3He diffuses inward to the hotter core, reducing the DT reactivity. A D/T/H mixture should result in H diffusing outward, leaving the hotter core D & T rich and hence enhance reactivity over the simulated expectation. Past results will be reviewed and plans for a hydro-equivalent comparison D/T/3He and D/T/H will be presented. Research conducted under the auspices of the U.S. Department of Energy under Contract DE-AC52-06NA25396.

  16. Diffusion mechanism of lithium ion through basal plane of layered graphene.

    PubMed

    Yao, Fei; Güne?, Fethullah; Ta, Huy Quang; Lee, Seung Mi; Chae, Seung Jin; Sheem, Kyeu Yoon; Cojocaru, Costel Sorin; Xie, Si Shen; Lee, Young Hee

    2012-05-23

    Coexistence of both edge plane and basal plane in graphite often hinders the understanding of lithium ion diffusion mechanism. In this report, two types of graphene samples were prepared by chemical vapor deposition (CVD): (i) well-defined basal plane graphene grown on Cu foil and (ii) edge plane-enriched graphene layers grown on Ni film. Electrochemical performance of the graphene electrode can be split into two regimes depending on the number of graphene layers: (i) the corrosion-dominant regime and (ii) the lithiation-dominant regime. Li ion diffusion perpendicular to the basal plane of graphene is facilitated by defects, whereas diffusion parallel to the plane is limited by the steric hindrance that originates from aggregated Li ions adsorbed on the abundant defect sites. The critical layer thickness (l(c)) to effectively prohibit substrate reaction using CVD-grown graphene layers was predicted to be ?6 layers, independent of defect population. Our density functional theory calculations demonstrate that divacancies and higher order defects have reasonable diffusion barrier heights allowing lithium diffusion through the basal plane but neither monovacancies nor Stone-Wales defect. PMID:22545779

  17. ION SIZE AND VALENCE EFFECTS ON IONIC FLOWS VIA POISSON-NERNST-PLANCK MODELS

    E-print Network

    Liu, Weishi

    ION SIZE AND VALENCE EFFECTS ON IONIC FLOWS VIA POISSON-NERNST-PLANCK MODELS PETER W. BATES, WEISHI oppositely charged ion species through an ion channel, focusing on effects of ion sizes and ion valences) and diffusion coefficients, in addition to ion sizes and ion valences. For the relatively simple setting

  18. Evaluation of normal appearing spinal cord by diffusion tensor imaging, fiber tracking, fractional anisotropy, and apparent diffusion coefficient measurement in 13 dogs

    PubMed Central

    2013-01-01

    Background Functional magnetic resonance (fMR) imaging offers plenty of new opportunities in the diagnosis of central nervous system diseases. Diffusion tensor imaging (DTI) is a technique sensitive to the random motion of water providing information about tissue architecture. We applied DTI to normal appearing spinal cords of 13 dogs of different breeds and body weights in a 3.0 T magnetic resonance (MR) scanner. The aim was to study fiber tracking (FT) patterns by tractography and the variations of the fractional anisotropy (FA) and the apparent diffusion coefficient (ADC) observed in the spinal cords of dogs with different sizes and at different locations (cervical and thoracolumbar). For that reason we added a DTI sequence to the standard clinical MR protocol. The values of FA and ADC were calculated by means of three regions of interest defined on the cervical or the thoracolumbar spinal cord (ROI 1, 2, and 3). Results The shape of the spinal cord fiber tracts was well illustrated following tractography and the exiting nerve roots could be differentiated from the spinal cord fiber tracts. Routine MR scanning times were extended for 8 to 12 min, depending on the size of the field of view (FOV), the slice thickness, and the size of the interslice gaps. In small breed dogs (?25 kg body weight) the traceable fiber length was about 5 vertebral bodies which took 10 to 12 min scanning time. FA and ADC values showed mean values of 0.447 (FA), and 0.560?×?10-3 mm2/s (ADC), respectively without any differences detected with regard to different dog sizes and spinal cord 45 segments examined. Conclusion FT is suitable for the graphical depiction of the canine spinal cord and the exiting nerve roots. The FA and ADC values offer an objective measure for evaluation of the spinal cord fiber integrity in dogs. PMID:23618404

  19. Bounce- and MLT-averaged diffusion coefficients in a physics-based magnetic field geometry obtained from RAM-SCB for the 17 March 2013 storm

    NASA Astrophysics Data System (ADS)

    Zhao, Lei; Yu, Yiqun; Delzanno, Gian Luca; Jordanova, Vania K.

    2015-04-01

    Local acceleration via whistler wave and particle interaction plays a significant role in particle dynamics in the radiation belt. In this work we explore gyroresonant wave-particle interaction and quasi-linear diffusion in different magnetic field configurations related to the 17 March 2013 storm. We consider the Earth's magnetic dipole field as a reference and compare the results against nondipole field configurations corresponding to quiet and stormy conditions. The latter are obtained with the ring current-atmosphere interactions model with a self-consistent magnetic field (RAM-SCB), a code that models the Earth's ring current and provides a realistic modeling of the Earth's magnetic field. By applying quasi-linear theory, the bounce- and Magnetic Local Time (MLT)-averaged electron pitch angle, mixed-term, and energy diffusion coefficients are calculated for each magnetic field configuration. For radiation belt (˜1 MeV) and ring current (˜100 keV) electrons, it is shown that at some MLTs the bounce-averaged diffusion coefficients become rather insensitive to the details of the magnetic field configuration, while at other MLTs storm conditions can expand the range of equatorial pitch angles where gyroresonant diffusion occurs and significantly enhance the diffusion rates. When MLT average is performed at drift shell L=4.25 (a good approximation to drift average), the diffusion coefficients become quite independent of the magnetic field configuration for relativistic electrons, while the opposite is true for lower energy electrons. These results suggest that, at least for the 17 March 2013 storm and for L?4.25, the commonly adopted dipole approximation of the Earth's magnetic field can be safely used for radiation belt electrons, while a realistic modeling of the magnetic field configuration is necessary to describe adequately the diffusion rates of ring current electrons.

  20. Bounce- and MLT-averaged diffusion coefficients in a physics-based magnetic field geometry obtained from RAM-SCB for the March 17 2013 storm

    DOE PAGESBeta

    Zhao, Lei; Yu, Yiqun; Delzanno, Gian Luca; Jordanova, Vania K.

    2015-04-01

    Local acceleration via whistler wave and particle interaction plays a significant role in particle dynamics in the radiation belt. In this work we explore gyro-resonant wave-particle interaction and quasi-linear diffusion in different magnetic field configurations related to the March 17 2013 storm. We consider the Earth's magnetic dipole field as a reference and compare the results against non-dipole field configurations corresponding to quiet and stormy conditions. The latter are obtained with the ring current-atmosphere interactions model with a self-consistent magnetic field RAM-SCB, a code that models the Earth's ring current and provides a realistic modeling of the Earth's magnetic field.more »By applying quasi-linear theory, the bounce- and MLT-averaged electron pitch angle, mixed term, and energy diffusion coefficients are calculated for each magnetic field configuration. For radiation belt (~1 MeV) and ring current (~100 keV) electrons, it is shown that at some MLTs the bounce-averaged diffusion coefficients become rather insensitive to the details of the magnetic field configuration, while at other MLTs storm conditions can expand the range of equatorial pitch angles where gyro-resonant diffusion occurs and significantly enhance the diffusion rates. When MLT average is performed at drift shell L = 4.25 (a good approximation to drift average), the diffusion coefficients become quite independent of the magnetic field configuration for relativistic electrons, while the opposite is true for lower energy electrons. These results suggest that, at least for the March 17 2013 storm and for L ? 4.25, the commonly adopted dipole approximation of the Earth's magnetic field can be safely used for radiation belt electrons, while a realistic modeling of the magnetic field configuration is necessary to describe adequately the diffusion rates of ring current electrons.« less

  1. Bounce- and MLT-averaged diffusion coefficients in a physics-based magnetic field geometry obtained from RAM-SCB for the March 17 2013 storm

    SciTech Connect

    Zhao, Lei; Yu, Yiqun; Delzanno, Gian Luca; Jordanova, Vania K.

    2015-04-01

    Local acceleration via whistler wave and particle interaction plays a significant role in particle dynamics in the radiation belt. In this work we explore gyro-resonant wave-particle interaction and quasi-linear diffusion in different magnetic field configurations related to the March 17 2013 storm. We consider the Earth's magnetic dipole field as a reference and compare the results against non-dipole field configurations corresponding to quiet and stormy conditions. The latter are obtained with the ring current-atmosphere interactions model with a self-consistent magnetic field RAM-SCB, a code that models the Earth's ring current and provides a realistic modeling of the Earth's magnetic field. By applying quasi-linear theory, the bounce- and MLT-averaged electron pitch angle, mixed term, and energy diffusion coefficients are calculated for each magnetic field configuration. For radiation belt (~1 MeV) and ring current (~100 keV) electrons, it is shown that at some MLTs the bounce-averaged diffusion coefficients become rather insensitive to the details of the magnetic field configuration, while at other MLTs storm conditions can expand the range of equatorial pitch angles where gyro-resonant diffusion occurs and significantly enhance the diffusion rates. When MLT average is performed at drift shell L = 4.25 (a good approximation to drift average), the diffusion coefficients become quite independent of the magnetic field configuration for relativistic electrons, while the opposite is true for lower energy electrons. These results suggest that, at least for the March 17 2013 storm and for L ? 4.25, the commonly adopted dipole approximation of the Earth's magnetic field can be safely used for radiation belt electrons, while a realistic modeling of the magnetic field configuration is necessary to describe adequately the diffusion rates of ring current electrons.

  2. Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials.

    PubMed

    Hofmann, F; Mason, D R; Eliason, J K; Maznev, A A; Nelson, K A; Dudarev, S L

    2015-01-01

    Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying with transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants. PMID:26527099

  3. Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

    NASA Astrophysics Data System (ADS)

    Hofmann, F.; Mason, D. R.; Eliason, J. K.; Maznev, A. A.; Nelson, K. A.; Dudarev, S. L.

    2015-11-01

    Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying with transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants.

  4. Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

    PubMed Central

    Hofmann, F.; Mason, D. R.; Eliason, J. K.; Maznev, A. A.; Nelson, K. A.; Dudarev, S. L.

    2015-01-01

    Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying with transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants. PMID:26527099

  5. On the Magnitude and Variability of Subgrid-Scale Eddy-Diffusion Coefficients in the Atmospheric Surface Layer.

    NASA Astrophysics Data System (ADS)

    Kleissl, Jan; Meneveau, Charles; Parlange, Marc B.

    2003-10-01

    Eddy-viscosity closures for large eddy simulations (LES) of atmospheric boundary layer dynamics include a parameter (Smagorinsky constant cs), which depends upon physical parameters, such as distance to the ground, atmospheric stability, and strain. A field study [Horizontal Arrays Turbulence Study (HATS)] specifically designed to measure turbulence quantities of interest in LES, such as the parameter cs, is conducted. The instrumentation consists of two vertically separated horizontal arrays of 3D sonic anemometers, placed in the atmospheric surface layer. From 2D filtering and differentiating the velocity fields, subgrid-scale (SGS) and resolved quantities are computed. The parameter cs is obtained from the data by matching measured and modeled SGS dissipations under various flow conditions. Results indicate that cs is reduced near the ground, and also decreases rapidly with increasing stability in stable atmospheric conditions. A simple fit that parameterizes the data is proposed. The variability from one sample to another is studied by means of the probability density function (pdf) of cs. The pdfs show a most preferred value, which is essentially independent of the timescale used for statistical averaging. The width of the pdfs decreases with increasing averaging time, for unstable and neutral stability conditions. For stable conditions, the relative variability of the coefficient remains strong even for long averaging times, indicative of strong intermittency. In unstable conditions, cs is fairly independent of local strain-rate magnitude, supporting the basic scaling of the Smagorinsky eddy viscosity. For stable conditions, a transition occurs between small local strain-rate magnitudes, where cs is nearly constant, and high local strain-rate magnitudes, where cs decreases appreciably. The results suggest that when the filter scale approaches the local integral scale of turbulence (height above the ground or Obukhov length), one needs to include the friction velocity as relevant velocity to scale the eddy viscosity, in addition to the standard velocity scale of the Smagorinsky model based on filtered strain-rate magnitude. The analysis is repeated for the SGS heat flux, and for the associated eddy-diffusion coefficient (PrT-1cs2) and Prandtl number (PrT). The latter is found to depend only very weakly on stability, but it increases with decreasing distance from the ground.

  6. Interrelationship between Number of Mobile Protons, Diffusion Coefficient, and AC Conductivity in Superprotonic Conductors, CsHSO4 and Rb3H(SeO4)2

    NASA Astrophysics Data System (ADS)

    Kamazawa, Kazuya; Harada, Masashi; Araki, Toru; Matsuo, Yasumitsu; Tyagi, Madhusudan; Sugiyama, Jun

    2014-07-01

    Using quasielastic neutron scattering (QENS), we investigated the proton dynamics for two superprotonic conductors, CsHSO4 and Rb3H(SeO4)2. To evaluate the self-diffusion coefficients and the number of mobile protons on both superprotonic and normal phases, we focused on proton dynamics not only in the phase above Tc, but also in the phase below Tc. In Rb3H(SeO4)2, the self-diffusion of protons was observed even below the Tc phase. In contrast to popular belief, no large changes in the self-diffusion coefficients were observed across Tc. Nevertheless, the increase in the number of mobile protons across Tc was about 14.5 times, which was estimated from the integrated intensity of QENS spectra, and this change could not account for the increased magnitude of proton conductivity, which is about 500 times. As a large translational self-diffusion coefficient has not been reported in previous works by QENS experiments, there are still unknown factors that contribute to the Nernst-Einstein relation that need to be discovered.

  7. Measurement of temperature-dependent diffusion coefficients using a confocal Raman microscope with microfluidic chips considering laser-induced heating effect.

    PubMed

    Lin, Ying; Yu, Xinhai; Wang, Zhenyu; Tu, Shan-Tung; Wang, Zhengdong

    2010-05-14

    Conventional methods for measuring diffusion coefficients (D) are complex and time consuming. This study presents a method for the continuous measurement of temperature-dependent diffusion coefficients using a confocal Raman microscope with microfluidic chips. Concentration information was collected by a Raman microscope to extract D values. An isothermal diffusion process at various temperatures was ensured by coupling the silicon-based microfluidic chip with an isothermal plate. In the simple silicon/glass chip, the heating effect induced by a Raman laser was observed to contribute to abnormally high D values. To eliminate the heating effect, a 200nm-thick aluminum (Al) reflection film was used to coat the channel bottom. The Al film substantially reduced absorption of laser power, thus ensuring precise D values in excellent agreement with literature data. Other potential methods to eliminate the heating effect were also evaluated by computational fluid dynamics (CFD) simulations and were found impractical for implementation. Consequently, this method for the continuous measurement of temperature-dependent diffusion coefficients is proven to be accurate, efficient, and reliable. PMID:20441873

  8. Prostate Cancer: Utility of Whole-Lesion Apparent Diffusion Coefficient Metrics for Prediction of Biochemical Recurrence After Radical Prostatectomy

    PubMed Central

    Rosenkrantz, Andrew B.; Ream, Justin M.; Nolan, Paul; Rusinek, Henry; Deng, Fang-Ming; Taneja, Samir S.

    2015-01-01

    OBJECTIVE The purpose of this study was to investigate the additional value of whole-lesion histogram apparent diffusion coefficient (ADC) metrics, when combined with standard pathologic features, in prediction of biochemical recurrence (BCR) after radical prostatectomy for prostate cancer. MATERIALS AND METHODS The study included 193 patients (mean age, 61 ± 7 years) who underwent 3-T MRI with DWI (b values, 50 and 1000 s/mm2) before prostatectomy. Histogram metrics were derived from 3D volumes of interest encompassing the entire lesion on ADC maps. Pathologic features from radical prostatectomy and subsequent BCR were recorded for each patient. The Fisher exact test and Mann-Whitney test were used to compare ADC-based metrics and pathologic features between patients with and patients without BCR. Stepwise logistic regression analysis was used to construct multivariable models for prediction of BCR, which were assessed by ROC analysis. RESULTS BCR occurred in 16.6% (32/193) of patients. Variables significantly associated with BCR included primary Gleason grade, Gleason score, extraprostatic extension, seminal vesicle invasion, positive surgical margin, preoperative prostate-specific antigen level, MRI tumor volume, mean whole-lesion ADC, entropy ADC, and mean ADC of the bottom 10th, 10–25th, and 25–50th percentiles (p ? 0.019). Significant independent predictors of BCR at multivariable analysis were primary Gleason grade, extraprostatic extension, mean of the bottom 10th percentile ADC, and entropy ADC (p = 0.002–0.037). The AUC of this multivariable model was 0.94 for prediction of BCR; the AUC of pathologic features alone was 0.89 (p = 0.001). CONCLUSION A model integrating whole-lesion ADC metrics had significantly higher performance for prediction of BCR than did standard pathologic features alone and may help guide postoperative prognostic assessments and decisions regarding adjuvant therapy. PMID:26587927

  9. Interstitial and Interlayer Ion Diffusion Geometry Extraction in Graphitic Nanosphere Battery Materials.

    PubMed

    Gyulassy, Attila; Knoll, Aaron; Lau, Kah Chun; Wang, Bei; Bremer, Peer-Timo; Papka, Michael E; Curtiss, Larry A; Pascucci, Valerio

    2016-01-01

    Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials. PMID:26529736

  10. Distribution of energetic positive ion species above a diffuse midnight aurora

    NASA Technical Reports Server (NTRS)

    Moore, T. E.; Evans, D. S.

    1979-01-01

    The present paper deals with species-identifying distribution function measurements of auroral primary particles, made during a magnetically quiet presubstorm period above a hydrogen-associated diffuse aurora. Only ions identified as H(+) and He(++) were detected. In the mass spectrum data, the He(++) was not clearly above background. At energies between 2.5 and 12 keV, the He(++)/H(+) intensity ratio had an upper limit of 2 to 4 percent. The same upper limit applies to all other ions, such as He(+) and O(+). Though this would suggest a solar wind source for these ions, an admixture including an appreciable fraction of polar wind protons is not precluded. This situation contrasts sharply with a number of recently reported observations of large intensities of precipitating O(+) ions during magnetic storms, and may be characteristic of undisturbed periods.

  11. Effect of Structure on Transport Properties (Viscosity, Ionic Conductivity, and Self-Diffusion Coefficient) of Aprotic Heterocyclic Anion (AHA) Room-Temperature Ionic Liquids. 1. Variation of Anionic Species.

    PubMed

    Sun, Liyuan; Morales-Collazo, Oscar; Xia, Han; Brennecke, Joan F

    2015-12-01

    A series of room temperature ionic liquids (RTILs) based on 1-ethyl-3-methylimidazolium ([emim](+)) with different aprotic heterocyclic anions (AHAs) were synthesized and characterized as potential electrolyte candidates for lithium ion batteries. The density and transport properties of these ILs were measured over the temperature range between 283.15 and 343.15 K at ambient pressure. The temperature dependence of the transport properties (viscosity, ionic conductivity, self-diffusion coefficient, and molar conductivity) is fit well by the Vogel-Fulcher-Tamman (VFT) equation. The best-fit VFT parameters, as well as linear fits to the density, are reported. The ionicity of these ILs was quantified by the ratio of the molar conductivity obtained from the ionic conductivity and molar concentration to that calculated from the self-diffusion coefficients using the Nernst-Einstein equation. The results of this study, which is based on ILs composed of both a planar cation and planar anions, show that many of the [emim][AHA] ILs exhibit very good conductivity for their viscosities and provide insight into the design of ILs with enhanced dynamics that may be suitable for electrolyte applications. PMID:26505641

  12. Ultra-low vanadium ion diffusion amphoteric ion-exchange membranes for all-vanadium redox flow batteries

    NASA Astrophysics Data System (ADS)

    Liao, J. B.; Lu, M. Z.; Chu, Y. Q.; Wang, J. L.

    2015-05-01

    An amphoteric ion-exchange membrane (AIEM) from fluoro-methyl sulfonated poly(arylene ether ketone) bearing content-controlled benzimidazole moiety, was firstly fabricated for vanadium redox flow battery (VRB). The AIEM and its covalently cross-linked membrane (AIEM-c) behave the highly suppressed vanadium-ion crossover and their tested VO2+ permeability are about 638 and 1117 times lower than that of Nafion117, respectively. This is further typically verified by the lower VO2+ concentration inside AIEM that is less than half of that inside Nafion117 detected by energy dispersive X-ray spectrometry, in addition of the nearly 3 times longer battery self-discharge time. The ultra-low vanadium ion diffusion could be ascribed to the narrower ion transporting channel originated from the acid-base interactions and the rebelling effect between the positively-charged benzimidazole structure and VO2+ ions. It is found that, VRB assembled with AIEM exhibits the equal or higher Coulombic efficiency (99.0% vs. 96.4%), voltage efficiency (90.7% vs. 90.7%) and energy efficiency (89.8% vs. 87.4%) than that with Nafion117 and keeps continuous 220 charge-discharge cycles for over 25 days, confirming that the AIEM of this type is a potentially suitable separator for VRB application.

  13. Tailoring diffusion-induced stresses of core-shell nanotube electrodes in lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Hao, Feng; Fang, Daining

    2013-01-01

    Carbon-coated electrode nanoparticles enhance the cycling stability of lithium-ion batteries due to their intrinsic electric conductivity and excellent tolerance to mechanical stress. To study diffusion-induced stresses of these nanocomposites, nanotube electrodes wrapped with carbon shells are investigated including the effects of surface stress. The results of our model show that diffusion-induced stresses strongly depend on the thickness of carbon layer, which should be tuned to endure material strengths, avoiding mechanical fracture. In addition, surface tension produces compressive stresses through the electrode materials, even a tensile state can turn into a state of compressive stress, which may become a resistance to brittle fracture.

  14. First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO{sub 4} by sulfur surface modification

    SciTech Connect

    Xu, Guigui E-mail: zghuang@fjnu.edu.cn; Zhong, Kehua; Zhang, Jian-Min; Huang, Zhigao E-mail: zghuang@fjnu.edu.cn

    2014-08-14

    We present a first-principles calculation for the electronic and Li-ion diffusion properties of the LiFePO{sub 4} (010) surface modified by sulfur. The calculated formation energy indicates that the sulfur adsorption on the (010) surface of the LiFePO{sub 4} is energetically favored. Sulfur is found to form Fe-S bond with iron. A much narrower band gap (0.67?eV) of the sulfur surface-modified LiFePO{sub 4} [S-LiFePO{sub 4} (010)] is obtained, indicating the better electronic conductive properties. By the nudged elastic band method, our calculations show that the activation energy of Li ions diffusion along the one-dimensional channel on the surface can be effectively reduced by sulfur surface modification. In addition, the surface diffusion coefficient of S-LiFePO{sub 4} (010) is estimated to be about 10{sup ?11} (cm{sup 2}/s) at room temperature, which implies that sulfur modification will give rise to a higher Li ion carrier mobility and enhanced electrochemical performance.

  15. Assessment of oxygen diffusion coefficients by studying high-temperature oxidation behaviour of Zr1Nb fuel cladding in the temperature range of 1100-1300 °C

    NASA Astrophysics Data System (ADS)

    Négyesi, M.; Chmela, T.; Veselský, T.; Krej?í, J.; Novotný, L.; P?ibyl, A.; Bláhová, O.; Burda, J.; Siegl, J.; Vrtílková, V.

    2015-01-01

    The paper deals with high-temperature steam oxidation behaviour of Zr1Nb fuel cladding. First of all, comprehensive experimental program was conducted to provide sufficient experimental data, such as the thicknesses of evolved phase layers and the overall weight gain kinetics, as well as the oxygen concentration and nanohardness values at phase boundaries. Afterwards, oxygen diffusion coefficients in the oxide, in the ?-Zr(O) layer, in the double-phase (? + ?)-Zr region, and in the ?-phase region have been estimated based on the experimental data employing analytical solution of the multiphase moving boundary problem, assuming the equilibrium conditions being fulfilled at the interface boundaries. Eventually, the determined oxygen diffusion coefficients served as input into the in-house numerical code, which was designed to predict the high-temperature oxidation behaviour of Zr1Nb fuel cladding. Very good agreement has been achieved between the numerical calculations and the experimental data.

  16. Extracting the jet transport coefficient from jet quenching in high-energy heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Burke, Karen M.; Buzzatti, Alessandro; Chang, Ningbo; Gale, Charles; Gyulassy, Miklos; Heinz, Ulrich; Jeon, Sangyong; Majumder, Abhijit; Müller, Berndt; Qin, Guang-You; Schenke, Björn; Shen, Chun; Wang, Xin-Nian; Xu, Jiechen; Young, Clint; Zhang, Hanzhong; JET Collaboration

    2014-07-01

    Within five different approaches to parton propagation and energy loss in dense matter, a phenomenological study of experimental data on suppression of large-pT single inclusive hadrons in heavy-ion collisions at both the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC) was carried out. The evolution of bulk medium used in the study for parton propagation was given by 2 + 1 dimensional or 3 + 1 dimensional hydrodynamic models which are also constrained by experimental data on bulk hadron spectra. Values for the jet transport parameter q? at the center of the most central heavy-ion collisions are extracted or calculated within each model, with parameters for the medium properties that are constrained by experimental data on the hadron suppression factor RAA. For a quark with initial energy of 10 GeV we find that q ??1.2±0.3 GeV2/fm at an initial time ?0=0.6 fm/c in Au + Au collisions at ?s =200 GeV/n and q??1.9±0.7 GeV2/fm in Pb + Pb collisions at ?s =2.76 TeV/n. Compared to earlier studies, these represent significant convergence on values of the extracted jet transport parameter due to new constraints provided by recent experiment data from the LHC.

  17. Experience With Carbon Ion Radiotherapy for WHO Grade 2 Diffuse Astrocytomas

    SciTech Connect

    Hasegawa, Azusa; Mizoe, Jun-Etsu; Tsujii, Hirohiko; Kamada, Tadashi; Jingu, Keiichi; Iwadate, Yasuo; Nakazato, Youichi; Matsutani, Masao; Takakura, Kintomo

    2012-05-01

    Purpose: To assess outcomes of carbon ion radiotherapy for diffuse astrocytomas in adults. Methods and Materials: Between October 1994 and February 2002, 14 patients with diffuse astrocytoma, identified as eligible for carbon ion radiotherapy, were enrolled in a phase I/II clinical trial. Carbon ion radiotherapy was administered in 24 fractions over 6 weeks. The normal tissue morbidity was monitored carefully, and the carbon ion dose was escalated from 50.4 Gy equivalent (GyE) to 55.2 GyE. Patients were divided into two groups according to their carbon ion doses: a low-dose group in which 2 patients were irradiated with 46.2 GyE and 7 patients were irradiated with 50.4 GyE, and a high-dose group in which 5 patients were irradiated with 55.2 GyE. Results: Toxicities were within acceptable limits, and none of the patients developed Grade 3 or higher acute or late reactions. The median progression-free survival (PFS) time was 18 months for the low-dose group and 91 months for the high-dose group (p = 0.0030). The median overall survival (OS) time was 28 months for the low-dose group and not reached for the high-dose group (p = 0.0208). Conclusion: High-dose group patients showed significant improvement in PFS and OS rates compared to those in the low-dose group, and both dose groups showed acceptable toxicity.

  18. The effect of a material growth technique on ion-implanted Mn diffusion in GaAs

    NASA Astrophysics Data System (ADS)

    Koskelo, O.; Räisänen, J.; Tuomisto, F.; Sadowski, J.; ISOLDE Collaboration

    2009-04-01

    Diffusion of ion-implanted Mn in semi-insulating (SI) and liquid encapsulated Czochralski (LEC)-grown GaAs has been determined employing the modified radiotracer technique. The effect of the growth technique and conditions on Mn diffusion in low temperature molecular beam epitaxy (LT-MBE)-grown GaAs has also been studied. Two distinct diffusion components appear in ion-implanted Mn diffusion in GaAs: slow and fast. As the diffusivity for the SI material is slightly higher than that for the LT-grown material, it is observed that the diffusivity of the fast component retards with increasing initial concentrations of Ga sublattice defects. At the same time the Mn concentration in the tail part of the diffusion profile is higher in the LT-grown material. Ga vacancy-assisted clustering of Mn is proposed as a likely reason for the observed effects.

  19. First principles transport coefficients and reaction rates of Ar2(+) ions in argon for cold plasma jet modeling.

    PubMed

    Chicheportiche, Alexandre; Stacho?, Martin; Benhenni, Malika; Gadéa, Florent Xavier; Kalus, René; Yousfi, Mohammed

    2014-10-01

    Momentum-transfer collision cross-sections and integral collision cross-sections for the collision-induced dissociation are calculated for collisions of ionized argon dimers with argon atoms using a nonadiabatic semiclassical method with the electronic Hamiltonian calculated on the fly via a diatomics-in-molecules semiempirical model as well as inverse-method modeling based on simple isotropic rigid-core potential. The collision cross-sections are then used in an optimized Monte Carlo code for evaluations of the Ar 2 (+) mobility in argon gas, longitudinal diffusion coefficient, and collision-induced dissociation rates. A thorough comparison of various theoretical calculations as well as with available experimental data on the Ar 2 (+) mobility and collision cross-sections is performed. Good agreement is found between both theoretical approaches and the experiment. Analysis of the role of inelastic processes in Ar 2 (+)/Ar collisions is also provided. PMID:25296801

  20. Effects of the radial dependence of the fast electron diffusion coefficient on the current driven by lower-hybrid waves in tokamak

    SciTech Connect

    Zhang Xianmei; Wang Yanhui; Yu Limin; Shen Xin; Wang Jianbin

    2012-07-15

    The lower hybrid current drive (LHCD) is one of the promising methods not only for driving the non-inductive current required for steady-state tokamak operation, but also for controlling the plasma current profile to improve confinement in tokamak experiments. A direct consequence of experimental imperfection is difficult to obtain reliable estimate of the radial diffusion coefficient (D{sub st}) of the lower hybrid driven current. In this paper, the radial profile of D{sub st} is estimated to investigate its effect on the current driven by lower hybrid wave (LHW) in Experimental Advanced Superconducting Tokamak. Compared with the case of the constant radial diffusion coefficient, the efficiency of LHW driven current with the radial dependent diffusion coefficient D{sub st} ({rho}) becomes either higher or lower with respect to the plasma parameters, such as the density and the magnetic fluctuation. It is also found that the profiles of the LHW driven current are different. Therefore, it is necessary to consider the radial dependence of D{sub st} in order to get an accurate and reliable result in the numerical simulation of LHCD.

  1. Concentration-dependent self-diffusion coefficients in amorphous Si{sub 1?x}Ge{sub x} solid solutions: An interdiffusion study

    SciTech Connect

    Noah, Martin A. Flötotto, David; Wang, Zumin; Mittemeijer, Eric J.

    2015-04-28

    Self-diffusion coefficients of Si and Ge in amorphous Si{sub 1?x}Ge{sub x} (a-Si{sub 1?x}Ge{sub x}) solid solutions were determined quantitatively in the temperature range of 440?°C – 460?°C by the investigation of interdiffusion in amorphous Si/Si{sub 0.52}Ge{sub 0.48} multilayers using Auger electron spectroscopy sputter-depth profiling. The determined concentration dependent self-diffusion coefficients of Si and Ge in a-Si{sub 1?x}Ge{sub x} with 0???x???0.48 at.?% Ge are about ten orders of magnitude larger than in the corresponding crystalline phases, due to the inherent, excess free volume in the amorphous phase. The self-diffusion coefficient of Si (or Ge) in a-Si{sub 1?x}Ge{sub x} increases in association with a decreasing activation enthalpy with increasing Ge concentration. This concentration dependence has been related to an overall decrease of the average bond strength with increasing Ge concentration.

  2. Performance of Apparent Diffusion Coefficient Values and Conventional MRI Features in Differentiating Tumefactive Demyelinating Lesions From Primary Brain Neoplasms

    PubMed Central

    Mabray, Marc C.; Cohen, Benjamin A.; Villanueva-Meyer, Javier E.; Valles, Francisco E.; Barajas, Ramon F.; Rubenstein, James L.; Cha, Soonmee

    2015-01-01

    OBJECTIVE Tumefactive demyelinating lesions (TDLs) remain one of the most common brain lesions to mimic a brain tumor, particularly primary CNS lymphoma (PCNSL) and high-grade gliomas. The purpose of our study was to evaluate the ability of apparent diffusion coefficient (ADC) values and conventional MRI features to differentiate TDLs from PCNSLs and high-grade gliomas. MATERIALS AND METHODS Seventy-five patients (24 patients with TDLs, 28 with PCNSLs, and 23 with high-grade gliomas) with 168 brain lesions (70 TDLs, 68 PCNSLs, and 30 high-grade gliomas) who underwent DWI before surgery or therapy were included in the study. Minimum ADC (ADCmin) and average ADC (ADCavg) values were calculated for each lesion. ANOVA and ROC analyses were performed. ROC analyses were also performed for the presence of incomplete rim enhancement and for the number of lesions. Multiple-variable logistic regression with ROC analysis was then performed to evaluate performance in multiple-variable models. RESULTS ADCmin was statistically significantly higher (p < 0.01) in TDLs (mean, 0.886; 95% CI, 0.802–0.931) than in PCNSLs (0.547; 95% CI, 0.496–0.598) and high-grade gliomas (0.470; 95% CI, 0.385–0.555). (All ADC values in this article are reported in units of × 10?3 mm2/s.) ADCavg was statistically significantly higher (p < 0.01) in TDLs (mean, 1.362; 95% CI, 1.268–1.456) than in PCNSLs (0.990; 95% CI, 0.919–1.061) but not in high-grade gliomas (1.216; 95% CI, 1.074–1.356). Multiple-variable models showed statistically significant individual effects and superior diagnostic performance on ROC analysis. CONCLUSION TDLs can be diagnosed on preoperative MRI with a high degree of specificity; MRI features of incomplete rim enhancement, high ADC values, and a large number of lesions individually increase the probability and diagnostic confidence that a lesion is a TDL. PMID:26496556

  3. Velocity space diffusion and nongyrotropy of pickup water group ions at comet Grigg-Skjellerup

    NASA Technical Reports Server (NTRS)

    Coates, A. J.; Johnstone, A. D.; Wilken, B.; Neubauer, Fritz M.

    1993-01-01

    The diffusion of water group cometary ions in velocity space at comet Grigg-Skjellerup was measured during the Giotto spacecraft encounter. The evolution of the collapsed pitch angle and energy distributions during the inbound and outbound passes shows that the timescale for energy diffusion may be similar to that for pitch angle diffusion. Fully isotropic pitch angle distributions were never seen. Also the bulk parameters of the three-dimensional distributions are examined. Transformation of these parameters into a field-aligned solar wind frame allows us to test the gyrotropy of the distributions. These observations imply that there were deviations from gyrotropy throughout the encounter becoming most important near to closest approach.

  4. Using Sulfur Hexafluoride to Quantify the Gas Leakage Rate within the Landscape Evolution Observatory (LEO) and the Diffusion Coefficient of the Crushed Basalt

    NASA Astrophysics Data System (ADS)

    Barta, J.; Costa, M.; Van Haren, J. L. M.; Pangle, L. A.; Troch, P. A. A.

    2014-12-01

    In order to understand the biological processes taking place on an experimental hillslope with vegetation, it is important to know the amount of gasses such as oxygen and carbon dioxide being produced and consumed. When studying the gas exchange rates in a closed system like the Landscape Evolution Observatory (LEO), one must take into account gas that is being lost or gained from other sources. Aside from biogeochemical processes, gas concentrations in the LEO atmosphere may change due to leakage to the outside environment and diffusion into the soil. To quantify these fluxes, two constants must be determined experimentally: the gas leakage constant L and the coefficient of diffusion for the hillslope soil. To accomplish this, a tracer gas, sulfur hexafluoride, was injected into the sealed east bay chamber and syringes were used to take samples periodically from the airspace and from the hillslope soil. The relative sulfur hexafluoride concentrations were then analyzed with a SRI 8610c gas chromatograph. By analyzing both the the airspace concentration decay as well as the concentration in the soil, the chamber's leakage constant was determined to be and the soil diffusion coefficient was also determined. Once these values are experimentally quantified, they can be used in equations to quantify the rate of gas leakage and soil diffusion of more important gases such as carbon dioxide and oxygen.

  5. Segregation and enhanced diffusion of nitrogen in silicon induced by low energy ion bombardment

    SciTech Connect

    Stoddard, N.; Duscher, G.; Karoui, A.; Stevie, F.; Rozgonyi, G.

    2005-04-15

    A sample of nitrogen-doped, single crystal Czochralski silicon was subjected to several different surface preparations. Secondary ion mass spectrometry depth profiling has shown that prolonged glancing-angle bombardment by 3-5 kV Ar{sup +} ions significantly increases the nitrogen concentration in the near surface by up to an order of magnitude over the bulk value. Concentrations are observed to be elevated over the bulk value to a depth up to 25 {mu}m. Nitrogen-implanted samples and samples with a 1 nm surface nitride did not exhibit nitrogen segregation under the same conditions, but a sample with 100 nm of surface nitride did exhibit ion bombardment induced drive-in. In nitride-free samples, the source of the nitrogen is indicated to be a nitrogen-rich layer in the first micron of material. The diffusion behavior of nitrogen in silicon is discussed and the Crowdion mechanism for diffusion is suggested as the enabling mechanism for the enhanced low temperature diffusion.

  6. The determination of solubility and diffusion coefficient for solids in liquids by an inverse measurement technique using cylinders of amorphous glucose as a model compound

    NASA Astrophysics Data System (ADS)

    Hu, Chengyao; Huang, Pei

    2011-05-01

    The importance of sugar and sugar-containing materials is well recognized nowadays, owing to their application in industrial processes, particularly in the food, pharmaceutical and cosmetic industries. Because of the large numbers of those compounds involved and the relatively small number of solubility and/or diffusion coefficient data for each compound available, it is highly desirable to measure the solubility and/or diffusion coefficient as efficiently as possible and to be able to improve the accuracy of the methods used. In this work, a new technique was developed for the measurement of the diffusion coefficient of a stationary solid solute in a stagnant solvent which simultaneously measures solubility based on an inverse measurement problem algorithm with the real-time dissolved amount profile as a function of time. This study differs from established techniques in both the experimental method and the data analysis. The experimental method was developed in which the dissolved amount of solid solute in quiescent solvent was investigated using a continuous weighing technique. In the data analysis, the hybrid genetic algorithm is used to minimize an objective function containing a calculated and a measured dissolved amount with time. This is measured on a cylindrical sample of amorphous glucose in methanol or ethanol. The calculated dissolved amount, that is a function of the unknown physical properties of the solid solute in the solvent, is calculated by the solution of the two-dimensional nonlinear inverse natural convection problem. The estimated values of the solubility of amorphous glucose in methanol and ethanol at 293 K were respectively 32.1 g/100 g methanol and 1.48 g/100 g ethanol, in agreement with the literature values, and support the validity of the simultaneously measured diffusion coefficient. These results show the efficiency and the stability of the developed technique to simultaneously estimate the solubility and diffusion coefficient. Also the influence of the solution density change and the initial concentration conditions on the dissolved amount was investigated by the numerical results using the estimated parameters. It is found that the theoretical assumption to simplify the inverse measurement problem algorithm is reasonable for low solubility.

  7. Examination of methods to determine free-ion diffusivity and number density from analysis of electrode polarization

    SciTech Connect

    Wang, Yangyang; Sun, Che-Nan; Fan, Fei; Sangoro, Joshua R; Berman, Marc; Greenbaum, Steve; Zawodzinski, Thomas; Sokolov, Alexei P

    2013-01-01

    Electrode polarization analysis is frequently used to determine free-ion diffusivity and number density in ionic conductors. In the present study, this approach is critically examined in a wide variety of electrolytes, including aqueous and nonaqueous solutions, polymer electrolytes, and ionic liquids. It is shown that the electrode polarization analysis based on theMacdonald-Trukhan model [J. Chem. Phys. 124, 144903 (2006); J. Non-Cryst. Solids 357, 3064 (2011)] progressively fails to give reasonable values of free-ion diffusivity and number density with increasing salt concentration. This should be expected because the original model of electrode polarization is designed for dilute electrolytes. An empirical correction method which yields ion diffusivities in reasonable agreement with pulsed-field gradient nuclear magnetic resonance measurements is proposed. However, the analysis of free-ion diffusivity and number density from electrode polarization should still be exercised with great caution because there is no solid theoretical justification for the proposed corrections.

  8. Diffusion control of an ion by another in LiNbO3 and LiTaO3 crystals

    PubMed Central

    Zhang, De-Long; Zhang, Qun; Qiu, Cong-Xian; Wong, Wing-Han; Yu, Dao-Yin; Yue-Bun Pun, Edwin

    2015-01-01

    Diffusion-doping is an effective, practical method to improve material properties and widen material application. Here, we demonstrate a new physical phenomenon: diffusion control of an ion by another in LiNbO3 and LiTaO3 crystals. We exemplify Ti4+/Xn+ (Xn+?=?Sc3+, Zr4+, Er3+) co-diffusion in the widely studied LiNbO3 and LiTaO3 crystals. Some Ti4+/Xn+-co-doped LiNbO3 and LiTaO3 plates were prepared by co-diffusion of stacked Ti-metal and Er-metal (Sc2O3 or ZrO2) films coated onto LiNbO3 or LiTaO3 substrates. The Ti4+/Xn+-co-diffusion characteristics were studied by secondary ion mass spectrometry. In the Xn+-only diffusion case, the Xn+ diffuses considerably slower than the Ti4+. In the Ti4+/Xn+ co-diffusion case, the faster Ti4+ controls the diffusion of the slower Xn+. The Xn+ diffusivity increases linearly with the initial Ti-metal thickness and the increase depends on the Xn+ species. The phenomenon is ascribed to the generation of additional defects induced by the diffusion of faster Ti4+ ions, which favors and assists the subsequent diffusion of slower Xn+ ion. For the diffusion system studied here, it can be utilized to substantially shorten device fabrication period, improve device performance and produce new materials. PMID:25941037

  9. Dispersion coefficients for the interactions of the alkali-metal and alkaline-earth-metal ions and inert-gas atoms with a graphene layer

    NASA Astrophysics Data System (ADS)

    Kaur, Kiranpreet; Arora, Bindiya; Sahoo, B. K.

    2015-09-01

    Largely motivated by a number of applications, the van der Waals dispersion coefficients C3 of the alkali-metal ions Li+,Na+,K+, and Rb+, the alkaline-earth-metal ions Ca+,Sr+,Ba+, and Ra+, and the inert-gas atoms He, Ne, Ar, and Kr with a graphene layer are determined precisely within the framework of the Dirac model. For these calculations, we evaluate the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energies. The dispersion coefficients are given as functions of the separation distance of an atomic system from the graphene layer and the ambiance temperature during the interactions. For easy extraction of these coefficients, we give a logistic fit to the functional forms of the dispersion coefficients in terms of the separation distances at room temperature.

  10. Dispersion coefficients for the interactions of the alkali and alkaline-earth ions and inert gas atoms with a graphene layer

    E-print Network

    Kaur, Kiranpreet; Sahoo, B K

    2015-01-01

    Largely motivated by a number of applications, the van der Waals dispersion coefficients ($C_3$s) of the alkali ions (Li$^+$, Na$^+$, K$^+$ and Rb$^+$), the alkaline-earth ions (Ca$^+$, Sr$^+$, Ba$^+$ and Ra$^+$) and the inert gas atoms (He, Ne, Ar and Kr) with a graphene layer are determined precisely within the framework of Dirac model. For these calculations, we have evaluated the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energies. The dispersion coefficients are, finally, given as functions of the separation distance of an atomic system from the graphene layer and the ambiance temperature during the interactions. For easy extraction of these coefficients, we give a logistic fit to the functional forms of the dispersion coefficients in terms of the separation distances at the room temperature.

  11. Series integration of the diaphragm cell transport equation when the diffusion coefficient is a function of concentration

    NASA Technical Reports Server (NTRS)

    Cain, Judith B.; Baird, James K.

    1992-01-01

    An integral of the form, t = B0 + BL ln(Delta-c) + B1(Delta-c) + B2(Delta-c)-squared + ..., where t is the time and Delta-c is the concentration difference across the frit, is derived in the case of the diaphragm cell transport equation where the interdiffusion coefficient is a function of concentration. The coefficient, B0, is a constant of the integration, while the coefficients, BL, B1, B2,..., depend in general upon the constant, the compartment volumes, and the interdiffusion coefficient and various of its concentration derivatives evaluated at the mean concentration for the cell. Explicit formulas for BL, B1, B2,... are given.

  12. Chaotic ion motion in magnetosonic plasma waves

    NASA Technical Reports Server (NTRS)

    Varvoglis, H.

    1984-01-01

    The motion of test ions in a magnetosonic plasma wave is considered, and the 'stochasticity threshold' of the wave's amplitude for the onset of chaotic motion is estimated. It is shown that for wave amplitudes above the stochasticity threshold, the evolution of an ion distribution can be described by a diffusion equation with a diffusion coefficient D approximately equal to 1/v. Possible applications of this process to ion acceleration in flares and ion beam thermalization are discussed.

  13. Effects of concentration-dependent elastic modulus on Li-ions diffusion and diffusion-induced stresses in spherical composition-gradient electrodes

    NASA Astrophysics Data System (ADS)

    Zhang, Kai; Li, Yong; Zheng, Bailin

    2015-09-01

    The composition-gradient electrode material is considered as one of the most promising materials for lithium-ion batteries because of its excellent electrochemical performance and thermal stability. In this work, the effects of concentration-dependent elastic modulus on Li-ions diffusion and diffusion-induce stress in the composition-gradient electrodes were studied. The coupling equations of elasticity and diffusion under both potentiostatic charging and galvanostatic charging were developed to obtain the distributions of both the Li-ions concentration and the stress. The results indicated that the effects of the concentration-dependent elastic modulus on the Li-ions diffusion and the diffusion-induce stresses are controlled by the lithiation induced stiffening factor in the composition-gradient electrodes: a low stiffening factor at the center and a high stiffening factor at the surface lead to a significant effect, whereas a high stiffening factor at the center and a low stiffening factor at the surface result in a minimal effect. The results in this work provide guidance for the selection of electrode materials.

  14. Effects of concentration-dependent elastic modulus on the diffusion of lithium ions and diffusion induced stress in layered battery electrodes

    NASA Astrophysics Data System (ADS)

    He, Y.-L.; Hu, H. J.; Song, Y.-C.; Guo, Z.-S.; Liu, C.; Zhang, J.-Q.

    2014-02-01

    A stress assisted diffusion model considering concentration-dependent elastic modulus of active material has been established for the multi-layered electrodes of lithium batteries. The physical mechanism for the effect of modulus variation on the Li-ion diffusion and corresponding biaxial stress is well elucidated. Moreover, the analytic solutions of maximum stress in both active layer and collector are respectively derived. It has been found that the modulus stiffening gives rise to the additional stress gradient and enhances Li-ion diffusion, therefore to increase the biaxial stress in the plate electrode. In contrast, modulus softening makes the stress assisted diffusion less significant and the corresponding stresses are reduced. These coupled effects are more significant during potentiostatic charging and galvanostatic charging with high charging rates. Moreover, the maximum stress in the active layer is independent of charging process, but depends upon the elastic modulus variation due to Li-ion insertion. Finally, with increasing thickness ratio between collector and active material, the impacts of concentration dependent modulus on the Li-ion diffusion in active layer decreases, whereas this effect on maximum stress in the current collector increases.

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

    NASA Astrophysics Data System (ADS)

    Song, Yicheng; Shao, Xianjun; Guo, Zhansheng; Zhang, Junqian

    2013-03-01

    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.

  16. Direct Observation of Fast Lithium-Ion Diffusion in a Superionic Conductor: Li7P3S11 Metastable Crystal

    NASA Astrophysics Data System (ADS)

    Mori, Kazuhiro; Enjuji, Keigo; Murata, Shun; Shibata, Kaoru; Kawakita, Yukinobu; Yonemura, Masao; Onodera, Yohei; Fukunaga, Toshiharu

    2015-11-01

    Li7P3S11 metastable crystal attracts much attention as a solid electrolyte for all-solid-state Li-ion batteries (LIBs) because of its extremely high ionic conductivity at room temperature. Knowing the relationship between the structural framework and dynamics of Li ions will deepen the understanding of lithium-superionic conductors as solid electrolytes in LIBs. However, clarifying the dynamics of Li ions in Li7P3S11 metastable crystal is hindered by the lack of adequate techniques. In this study, we directly observe the fast Li-ion diffusion in Li7P3S11 metastable crystal by using state-of-the-art quasielastic neutron scattering. A signal for the self-diffusion of Li ions is clearly observed at 473 K. The jump diffusion model is used to determine the self-diffusion constant D , mean residence time ?0 , and jump length ?l ? of the Li ions. We use crystal-structure analysis to successfully identify ?l ? as the average bond length lavLi - Li for the nearest-neighbor Li - Li bonds. The Li ions are located within stable regions in the conduction pathways, and the potential barrier is low between them. Consequently, we suggest that the Li ions migrate between stable regions within ?l ?=4.3 Å in Li7P3S11 metastable crystal.

  17. Thermodynamic evaluation of mass diffusion in ionic mixtures

    SciTech Connect

    Kagan, Grigory; Tang, Xian-Zhu

    2014-02-15

    The thermodynamic technique of Landau and Lifshitz originally developed for inter-species diffusion in a binary neutral gas mixture is extended to a quasi-neutral plasma with two ion species. It is shown that, while baro- and electro-diffusion coefficients depend on the choice of the thermodynamic system, prediction for the total diffusive mass flux is invariant.

  18. Multispecies diffusion models: A study of uranyl species diffusion

    NASA Astrophysics Data System (ADS)

    Liu, Chongxuan; Shang, Jianying; Zachara, John M.

    2011-12-01

    Rigorous numerical description of multispecies diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication in imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multispecies diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multispecies diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multispecies U(VI) diffusion under a steady state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that for multispecies U(VI) diffusion under transient chemical conditions, a fully coupled diffusion model could be well approximated by a component-based diffusion model when the diffusion coefficient for each chemical component was properly selected. The component-based diffusion model considers the difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be enforced, if necessary, by adding a secondary migration term resulting from model simplification. The effect of ion activity coefficient gradients on multispecies diffusion is also discussed. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from U.S. Department of Energy's Hanford 300A, where intragranular diffusion is a rate-limiting process controlling U(VI) adsorption and desorption. The grain-scale reactive diffusion model was able to describe U(VI) adsorption/desorption kinetics that had been previously described using a semiempirical, multirate model. Compared with the multirate model, the diffusion models have the advantage to provide spatiotemporal speciation evolution within the diffusion domains.

  19. Measurement of Defect-Mediated Diffusion: The Case of Silicon Self-Diffusion

    E-print Network

    -time diffusion, Fick's Second Law with a constant- diffusion coefficient often offers a satisfactory framework composite diffusion coefficient, thereby offering more insight into diffusion mech- anisms. For sufficiently

  20. Reaction-diffusion equation for quark-hadron transition in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Bagchi, Partha; Das, Arpan; Sengupta, Srikumar; Srivastava, Ajit M.

    2015-09-01

    Reaction-diffusion equations with suitable boundary conditions have special propagating solutions which very closely resemble the moving interfaces in a first-order transition. We show that the dynamics of the chiral order parameter for the chiral symmetry breaking transition in heavy-ion collisions, with dissipative dynamics, is governed by one such equation; specifically, the Newell-Whitehead equation. Furthermore, required boundary conditions are automatically satisfied due to the geometry of the collision. The chiral transition is, therefore, completed by a propagating interface, exactly as for a first-order transition, even though the transition actually is a crossover for relativistic heavy-ion collisions. The same thing also happens when we consider the initial confinement-deconfinement transition with the Polyakov loop order parameter. The resulting equation, again with dissipative dynamics, can then be identified with the reaction-diffusion equation known as the FitzHugh-Nagumo equation which is used in population genetics. Observational constraints imply that the entire phase conversion cannot be achieved by such slow moving fronts, and some alternate faster dynamics needs also to be invoked; for example, involving fluctuations. We discuss the implications of these results for heavy-ion collisions. We also discuss possible extensions for the case of the early universe.

  1. Reaction-diffusion equation for quark-hadron transition in heavy-ion collisions

    E-print Network

    Partha Bagchi; Arpan Das; Srikumar Sengupta; Ajit M. Srivastava

    2015-07-03

    Reaction-diffusion equations with suitable boundary conditions have special propagating solutions which very closely resemble the moving interfaces in a first order transition. We show that the dynamics of chiral order parameter for chiral symmetry breaking transition in heavy-ion collisions, with dissipative dynamics, is governed by one such equation, specifically, the Newell-Whitehead equation. Further, required boundary conditions are automatically satisfied due to the geometry of the collision. The chiral transition is, therefore, completed by a propagating interface, exactly as for a first order transition, even though the transition actually is a crossover for relativistic heavy-ion collisions. Same thing also happens when we consider the initial confinement-deconfinement transition with Polyakov loop order parameter. The resulting equation, again with dissipative dynamics, can then be identified with the reaction-diffusion equation known as the Fitzhugh-Nagumo equation which is used in population genetics. We discuss the implications of these results for heavy-ion collisions. We also discuss possible extensions for the case of early universe.

  2. Observational evidence for an elongated (>50 ion skin depths) electron diffusion region during fast magnetic reconnection

    NASA Astrophysics Data System (ADS)

    Phan, T. D.; Drake, J. F.; Shay, M. A.; Mozer, F. S.; Eastwood, J. P.

    2007-12-01

    We report observational evidence for an elongated electron reconnection diffusion region during fast reconnection. The Cluster in-situ observations in a magnetosheath reconnecting current sheet reveal a broad current layer (width around 12 ion skin depths) supporting the reversal of the reconnecting magnetic field with an embedded intense outflow current that implies a super-Alfvenic electron outflow jet with a transverse scale of ~8 electron skin depths. The oblique trajectory of the spacecraft through the reconnection layer allows the deduction of a fast reconnection rate of 9% of the upstream Alfven speed as well as the minimum extent of the super-Alfvenic electron outflow jet of 50 ion skin depths downstream from the X-line. The deduced reconnection rate is consistent with the directly measured rate of 8% based on the tangential electric field and the inflow plasma velocity. These observations confirm and extend the surprising finding from recent large-scale full particle simulations of the presence of an elongated (> 20 ion skin depths) electron diffusion region even during fast reconnection [Shay et al., 2007; Karimabadi et al., 2007].

  3. Diffusion scrubber-ion chromatography for the measurement of trace levels of atmospheric HCl

    NASA Astrophysics Data System (ADS)

    Lindgren, Per F.

    A diffusion scrubber-ion chromatographic (DS-IC) instrument has been characterized and employed for the measurement of trace levels of gaseous HCl in the atmosphere. The instrument operates with a temporal resolution of 5 min and the detection limit is estimated to be 5 pptv. Collection efficiencies for HCl with two identical diffusion scrubbers were 28±2% and 20±2%, respectively, at a sampling flow rate of 2 SLPM. Instrument response decreases with increased relative humidity. An equation, correction factor=2.45 × 10 -7 × %r.h 3 + 1.00, is used to correct for the relative humidity dependency. The instrument was tested in ambient air studies by measuring background mixing ratios between 0.02 and 0.5 ppbv at a suburban sampling site. Calibration of the instrument was carried out with a novel source of gaseous HCl based on sublimation of ammonium chloride.

  4. Mechanisms of oxygen ion diffusion in a nanoporous complex oxide 12CaO•7 Al2 O3

    NASA Astrophysics Data System (ADS)

    Sushko, Peter V.; Shluger, Alexander L.; Hayashi, Katsuro; Hirano, Masahiro; Hosono, Hideo

    2006-01-01

    We performed a theoretical analysis of O2- diffusion mechanisms in a nanoporous complex oxide 12CaO•7Al2O3 (C12A7). This material can be viewed as a positively charged framework, arranged in subnanometer sized cages, hosting extra-framework O2- ions occupying one in six cages. Using both classical molecular-dynamics simulations and ab initio calculations we demonstrate that the diffusion of O2- species is dominated by the exchange of framework and extra-framework O2- ions rather than by an interstitial diffusion mechanism. The results allow us to rationalize the origins of the experimentally observed high oxide ion conductivity of C12A7 and the stability of its lattice under positive ion-beam irradiation.

  5. Quantitative microlocalization of diffusible ions in normal and galactose cataractous rat lens by secondary ion mass spectrometry.

    PubMed

    Burns, M S; File, D M

    1986-11-01

    Secondary ion mass spectrometry (SIMS) is a surface analytical technique with high sensitivity for elemental detection and microlocalization capabilities within the micrometre range. Quantitative analysis of epoxy resins and gelatin have been reported (Burns-Bellhorn & File, 1979). We report here the first application of this technique to quantitative microlocalization in the context of a physiological problem--analyses of sodium, potassium and calcium in normal and galactose-induced cataract in rat lens. It is known that during the development of galactose-induced cataract the whole lens content of potassium is decreased, sodium is increased and, in late stages, calcium concentration increases. Whether these alterations in diffusible ions occur homogeneously or heterogeneously is not known. Standard curves were generated from epoxy resins containing known concentrations of sodium, potassium or calcium organometallic compounds using the Cameca IMS 300 Secondary Ion Mass Spectrometer. Normal and cataractous lenses were prepared by freezing in isopentane in a liquid nitrogen bath followed by freeze-drying at -30 degrees C. After dry embedding in epoxy resin, 10 microns thick sections of lens were pressure mounted on silicon wafers, overcoated with gold, and ion emission measured under the same instrumental conditions used to obtain the standard curves. Quantitative analysis of an area 27 microns in diameter, or a total analysed volume of 1.1 microns3, was performed by using a mechanical aperture in the ion optical system. Ion images provided qualitative microanalysis with a lateral resolution of 1 micron. Control rat lenses gave values for sodium and potassium content with a precision of +/- 17% or less. These values were compared to flame photometry and atomic absorption measurements of normal lenses and were accurate within 25%. Analysis of serum and blood also gave accurate and precise measurements of these elements. Normal rat lenses had a gradient of sodium, and, to a lesser degree, of potassium from the cortex to the nucleus. Development of galactose-induced cataract was heterogeneous by morphological criteria, beginning at the lens equator and spreading from the cortex into the nucleus. However, the loss of potassium and increase in sodium concentration occurred at early stages in both the cortex and nucleus cells, possibly because these cells are interconnected by gap junctions. There is a local alteration in elemental content prior to morphologically demonstrable cataract formation.(ABSTRACT TRUNCATED AT 400 WORDS) PMID:3820281

  6. An ab initio molecular dynamics study of the hydrogen bonded structure, dynamics and vibrational spectral diffusion of water in the ion hydration shell of a superoxide ion

    NASA Astrophysics Data System (ADS)

    Choudhuri, Jyoti Roy; Chandra, Amalendu

    2014-12-01

    We present a first principles simulation study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous solution of a superoxide ion. It is found that the OD modes in the hydration shell have different stretching frequencies than the bulk water. The dynamical aspects of vibrational spectral diffusion of hydration shell water molecules reveal three time scales: A short-time relaxation (?100 fs) corresponding to the dynamics of intact ion-water hydrogen bonds, a slower relaxation (?4.2 ps) corresponding to the lifetimes of ion-water hydrogen bonds and a third longer time scale (?30 ps) corresponding to the escape dynamics of water from the anion hydration shell. However, when the vibrational spectral diffusion is calculated over all the OD modes, only two time scales of ?200 fs and ?2.4 ps are found without the slowest component of ?30 ps.

  7. Enhanced diffusive ion scattering in front of the Earth's quasi-parallel bow shock: a case study

    NASA Astrophysics Data System (ADS)

    Kis, Arpad; Scholer, Manfred; Klecker, Berndt; Lucek, Elisabeth; Dandouras, Iannis; Lemperger, István; Wesztergom, Viktor; Novák, Attila; Szalai, Sándor

    2014-05-01

    In our study we report on observations of energetic ions upstream of the Earth's quasi-parallel bow shock by Cluster at times of large inter-spacecraft separation distance. For the analysis we use the ion data provided by the CIS-HIA in the 10-32 keV energy range and the magnetic data recorded by the FGM instrument. We determine the spatial gradient of partial energetic ion densities at various distances from the bow shock. The gradient in all energy channels decreases exponentially with distance and the e-folding distance of the gradients depends approximately linearly on energy but there is a significant difference in their values obtained at the observed three upstream ion events. We demonstrate for the first time that under specific interplanetary conditions the mechanism of the diffuse ion scattering can change significantly and results in an anomalous diffusive process charactized by an unusually small e-folding distance.

  8. Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation

    NASA Astrophysics Data System (ADS)

    Guevara-Carrion, Gabriela; Vrabec, Jadran; Hasse, Hans

    2011-02-01

    Density, self-diffusion coefficient, and shear viscosity of pure liquid water are predicted for temperatures between 280 and 373 K by molecular dynamics simulation and the Green-Kubo method. Four different rigid nonpolarizable water models are assessed: SPC, SPC/E, TIP4P, and TIP4P/2005. The pressure dependence of the self-diffusion coefficient and the shear viscosity for pure liquid water is also calculated and the anomalous behavior of these properties is qualitatively well predicted. Furthermore, transport properties as well as excess volume and excess enthalpy of aqueous binary mixtures containing methanol or ethanol, based on the SPC/E and TIP4P/2005 water models, are calculated. Under the tested conditions, the TIP4P/2005 model gives the best quantitative and qualitative agreement with experiments for the regarded transport properties. The deviations from experimental data are of 5% to 15% for pure liquid water and 5% to 20% for the water + alcohol mixtures. Moreover, the center of mass power spectrum of water as well as the investigated mixtures are analyzed and the hydrogen-bonding structure is discussed for different states.

  9. Ion transport through a charged cylindrical membrane pore contacting stagnant diffusion layers

    NASA Astrophysics Data System (ADS)

    Andersen, Mathias B.; Biesheuvel, P. M.; Bazant, Martin Z.; Mani, Ali

    2012-11-01

    Fundamental understanding of the ion transport in membrane systems by diffusion, electromigration and advection is important in widespread processes such as de-ionization by reverse osmosis and electrodialysis and electro-osmotic micropumps. Here we revisit the classical analysis of a single cylindrical pore, see e.g. Gross and Osterle [J Chem Phys 49, 228 (1968)]. We extend the analysis by including the well-established concept of contacting stagnant diffusion layers on either side of the pore; thus, the pore is not in direct equilibrium with the reservoirs. Inside the pore the ions are assumed to be in quasi-equilibrium in the radial direction with the surface charge on the pore wall and we obtain a 1D model by area-averaging. We demonstrate that in some extreme limits this model reduces to simpler models studied in the literature; see e.g. Yaroshchuk [J Membrane Sci 396, 43 (2012)]. Using our model we present predictions of important transport effects such as variation of transport numbers inside the membrane, onset of limiting current, and transient dynamics described by the method of characteristics.

  10. Analytical modeling of dislocation effect on diffusion induced stress in a cylindrical lithium ion battery electrode

    NASA Astrophysics Data System (ADS)

    Li, Jia; Fang, Qihong; Liu, Feng; Liu, Youwen

    2014-12-01

    This paper is theoretically suggested to describe the combined effects of diffusion induced stress and dislocation induced stress in a cylinder lithium ion battery electrode on the nucleation and propagation of cracks under galvanostatic or potentiostatic solute insertion and extraction. By the conventional assumption, we develop this model accounting for dislocation mechanics in a cylindrical electrode under axisymmetric diffusion induced stress, focusing on the dislocation and size effects on the magnitude and distribution of the combined DIS during galvanostatic or potentiostatic condition. The results show that dislocation induced stress can decrease tensile stress, and converts the state of stress from tensile to compressive. The trend of the crack nucleation and propagation can be prevented as the cylindrical particle radius drops down to nanoscale range. Dislocation induced stress suppressing the crack nucleation, however, provides a novel way of mitigating internal damage in a cylindrical lithium ion battery during cycling. It may be used in conjunction with the methods of nano-engineering to create microstructures tailored to maximize suppressing the crack nucleation, yielding new strategy to improve battery life and avoid failure.

  11. Track-membrane-based interface for field evaporation of ions from polar solutions in the diffusion-drift regime

    NASA Astrophysics Data System (ADS)

    Balakin, A. A.; Buido, E. A.

    2013-11-01

    The possibility of realization of barrier-free field evaporation regime for ions from polar solutions in the conditions when the flux of ions from the liquid is limited by their diffusion and drift from the bulk to the surface is considered. The strength of the electric field extracting ions is estimated by simulating electric fields in an ion source with a track membrane as the interface with allowance for the sizes of channels in the membrane and their density. It is shown that when time-dependent electric fields are used, the regime of barrier-free field evaporation can be realized with an appropriate choice of geometrical parameters of the membrane.

  12. Modeling of pickup ion distributions in the Halley cometosheath: Empirical limits on rates of ionization, diffusion, loss and creation of fast neutral atoms

    NASA Technical Reports Server (NTRS)

    Huddleston, D. E.; Neugebauer, M.; Goldstein, B. E.

    1994-01-01

    The shape of the velocity distribution of water group ions observed by the Giotto ion mass spectrometer on its approach to comet Halley is modeled to derive empirical values for the rates of ionization, energy diffusion, and loss in the midcometosheath. The model includes the effect of rapid pitch angle scattering into a bispherical shell distribution as well as the effect of the magnetization of the plasma on the charge exchange loss rate. It is found that the average rate of ionization of cometary neutrals in this region of the cometosheath appears to be of the order of a factor 3 faster than the `standard' rates approx. 1 x 10(exp -6)/s that are generally assumed to model the observations in most regions of the comet environment. For the region of the coma studied in the present work (approx. 1 - 2 x 10(exp 5) km from the nucleus), the inferred energy diffusion coefficient is D(sub 0) approx. equals 0.0002 to 0.0005 sq km/cu s, which is generally lower than values used in other models. The empirically obtained loss rate appears to be about an order of magnitude greater than can be explained by charge exchange with the `standard' cross section of approx. 2 x 10(exp -15)sq cm. However such cross sections are not well known and for water group ion/water group neutral interactions, rates as high as 8 x 10(exp -15) sq cm have previously been suggested in the literature. Assuming the entire loss rate is due to charge exchange yields a rate of creation of fast neutral atoms of the order of approx. 10(exp -4)/s or higher, depending on the level of velocity diffusion. The fast neutrals may, in turn, be partly responsible for the higher-than-expected ionization rate.

  13. A molecular dynamics study of oxygen ion diffusion in A-site ordered perovskite PrBaCo(2)O(5.5): data mining the oxygen trajectories.

    PubMed

    Chen, Chi; Chen, Dengjie; Ciucci, Francesco

    2015-03-28

    Molecular dynamics (MD) simulations have been widely used to study oxygen ion diffusion in crystals. In the data analysis, one typically calculates the mean squared displacements to obtain the self-diffusion coefficients. Further information extraction for each individual atom poses significant challenges due to the lack of general methods. In this work, oxygen ion diffusion in A-site ordered perovskite PrBaCo2O5.5 is studied using MD simulations and the oxygen migration is analyzed by k-means clustering, a machine learning algorithm. The clustering analysis allows the tracking of each individual oxygen jump along with its corresponding location, i.e., oxygen site in BaO, PrO0.5 and CoO2 layers. Therefore it increases the understanding of the factors influencing oxygen diffusion. For example, it is found that the oxygen occupation fraction in the PrO0.5 layers increases with temperature, while in the CoO2 layers it decreases with temperature. Additionally, the activation enthalpies of oxygen jumps from CoO2 to CoO2, CoO2 to PrO0.5 and PrO0.5 to CoO2 are 0.22 eV, 0.54 eV and 0.34 eV, respectively, exhibiting anisotropic characteristics. Furthermore, the dwell times of oxygen atoms suggest that they are highly mobile in PrO0.5 layers. Combining the analysis of activation enthalpies and dwell times, it is suggested that the oxygen transport is fast within the CoO2 layers while the PrO0.5 layers work as oxygen vacancy reservoirs. PMID:25716049

  14. Experimental visualization of the diffusion pathway of sodium ions in the Na3[Ti2P2O10F] anode for sodium-ion battery.

    PubMed

    Ma, Zhaohui; Wang, Yuesheng; Sun, Chunwen; Alonso, J A; Fernández-Díaz, M T; Chen, Liquan

    2014-01-01

    Sodium-ion batteries have attracted considerable interest as an alternative to lithium-ion batteries for electric storage applications because of the low cost and natural abundance of sodium resources. The materials with an open framework are highly desired for Na-ion insertion/extraction. Here we report on the first visualization of the sodium-ion diffusion path in Na3[Ti2P2O10F] through high-temperature neutron powder diffraction experiments. The evolution of the Na-ion displacements of Na3[Ti2P2O10F] was investigated with high-temperature neutron diffraction (HTND) from room temperature to 600°C; difference Fourier maps were utilized to estimate the Na nuclear-density distribution. Temperature-driven Na displacements indicates that sodium-ion diffusion paths are established within the ab plane. As an anode for sodium-ion batteries, Na3[Ti2P2O10F] exhibits a reversible capacity of ~100?mAh g(-1) with lower intercalation voltage. It also shows good cycling stability and rate capability, making it promising applications in sodium-ion batteries. PMID:25427677

  15. Symmetry of the gradient profile as second experimental dimension in the short-time expansion of the apparent diffusion coefficient as measured with NMR diffusometry

    NASA Astrophysics Data System (ADS)

    Laun, Frederik Bernd; Kuder, Tristan Anselm; Zong, Fangrong; Hertel, Stefan; Galvosas, Petrik

    2015-10-01

    The time-dependent apparent diffusion coefficient as measured by pulsed gradient NMR can be used to estimate parameters of porous structures including the surface-to-volume ratio and the mean curvature of pores. In this work, the short-time diffusion limit and in particular the influence of the temporal profile of diffusion gradients on the expansion as proposed by Mitra et al. (1993) is investigated. It is shown that flow-compensated waveforms, i.e. those whose first moment is zero, are blind to the term linear in observation time, which is the term that is proportional to mean curvature and surface permeability. A gradient waveform that smoothly interpolates between flow-compensated and bipolar waveform is proposed and the degree of flow-compensation is used as a second experimental dimension. This two-dimensional ansatz is shown to yield an improved precision when characterizing the confining domain. This technique is demonstrated with simulations and in experiments performed with cylindrical capillaries of 100 ?m radius.

  16. Evolution of Apparent Diffusion Coefficient and Fractional Anisotropy in the Cerebrum of Asphyxiated Newborns Treated with Hypothermia over the First Month of Life.

    PubMed

    Kwan, Saskia; Boudes, Elodie; Benseler, Anouk; Gilbert, Guillaume; Saint-Martin, Christine; Shevell, Michael; Wintermark, Pia

    2015-01-01

    The objective of this study was to assess the evolution of diffusion-weighted imaging (DWI) and diffusion-tensor imaging (DTI) over the first month of life in asphyxiated newborns treated with hypothermia and to compare it with that of healthy newborns. Asphyxiated newborns treated with hypothermia were enrolled prospectively; and the presence and extent of brain injury were scored on each MRI. Apparent diffusion coefficient (ADC) and fractional anisotropy (FA) values were measured in the basal ganglia, in the white matter and in the cortical grey matter. Sixty-one asphyxiated newborns treated with hypothermia had a total of 126 ADC and FA maps. Asphyxiated newborns developing brain injury eventually had significantly decreased ADC values on days 2-3 of life and decreased FA values around day 10 and 1 month of life compared with those not developing brain injury. Despite hypothermia treatment, asphyxiated newborns may develop brain injury that still can be detected with advanced neuroimaging techniques such as DWI and DTI as early as days 2-3 of life. A study of ADC and FA values over time may aid in the understanding of how brain injury develops in these newborns despite hypothermia treatment. PMID:26229690

  17. Evolution of Apparent Diffusion Coefficient and Fractional Anisotropy in the Cerebrum of Asphyxiated Newborns Treated with Hypothermia over the First Month of Life

    PubMed Central

    Kwan, Saskia; Boudes, Elodie; Benseler, Anouk; Gilbert, Guillaume; Saint-Martin, Christine; Shevell, Michael; Wintermark, Pia

    2015-01-01

    The objective of this study was to assess the evolution of diffusion-weighted imaging (DWI) and diffusion-tensor imaging (DTI) over the first month of life in asphyxiated newborns treated with hypothermia and to compare it with that of healthy newborns. Asphyxiated newborns treated with hypothermia were enrolled prospectively; and the presence and extent of brain injury were scored on each MRI. Apparent diffusion coefficient (ADC) and fractional anisotropy (FA) values were measured in the basal ganglia, in the white matter and in the cortical grey matter. Sixty-one asphyxiated newborns treated with hypothermia had a total of 126 ADC and FA maps. Asphyxiated newborns developing brain injury eventually had significantly decreased ADC values on days 2-3 of life and decreased FA values around day 10 and 1 month of life compared with those not developing brain injury. Despite hypothermia treatment, asphyxiated newborns may develop brain injury that still can be detected with advanced neuroimaging techniques such as DWI and DTI as early as days 2-3 of life. A study of ADC and FA values over time may aid in the understanding of how brain injury develops in these newborns despite hypothermia treatment. PMID:26229690

  18. Fluence-to-dose conversion coefficients for heavy ions calculated using the PHITS code and the ICRP/ICRU adult reference computational phantoms

    NASA Astrophysics Data System (ADS)

    Sato, Tatsuhiko; Endo, Akira; Niita, Koji

    2010-04-01

    The fluence to organ-absorbed-dose and effective-dose conversion coefficients for heavy ions with atomic numbers up to 28 and energies from 1 MeV/nucleon to 100 GeV/nucleon were calculated using the PHITS code coupled to the ICRP/ICRU adult reference computational phantoms, following the instruction given in ICRP Publication 103 (2007 (Oxford: Pergamon)). The conversion coefficients for effective dose equivalents derived using the radiation quality factors of both Q(L) and Q(y) relationships were also estimated, utilizing the functions for calculating the probability densities of absorbed dose in terms of LET (L) and lineal energy (y), respectively, implemented in PHITS. The calculation results indicate that the effective dose can generally give a conservative estimation of the effective dose equivalent for heavy-ion exposure, although it is occasionally too conservative especially for high-energy lighter-ion irradiations. It is also found from the calculation that the conversion coefficients for the Q(y)-based effective dose equivalents are generally smaller than the corresponding Q(L)-based values because of the conceptual difference between LET and y as well as the numerical incompatibility between the Q(L) and Q(y) relationships. The calculated data of these dose conversion coefficients are very useful for the dose estimation of astronauts due to cosmic-ray exposure.

  19. Gyrokinetic study of the impact of the electron to ion heating ratio on the turbulent diffusion of highly charged impurities

    NASA Astrophysics Data System (ADS)

    Angioni, C.

    2015-10-01

    A gyrokinetic study based on numerical and analytical calculations is presented, which computes the dependence of the turbulent diffusion of highly charged impurities on the ratio of the electron to the ion heat flux of the plasma. Nonlinear simulations show that the size of the turbulent diffusion of heavy impurities can vary by one order of magnitude with fixed total heat flux and is an extremely sensitive function of the electron to ion heat flux ratio. Numerical linear calculations are found to reproduce the nonlinear results. Thereby, a quasi-linear analytical approach is used to explain the origin of this dependence.

  20. The effect of Cr doping on Li ion diffusion in LiFePO4 from first principles investigations and Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Ouyang, C. Y.; Shi, S. Q.; Wang, Z. X.; Li, H.; Huang, X. J.; Chen, L. Q.

    2004-04-01

    Using the adiabatic trajectory method, the migration energy barriers for the migration of Li ions and Cr ions along the one-dimensional diffusion pathway in pure and Cr doped LiFePO4 are obtained from first principles calculations. The results show that while Li ions can diffuse along the diffusion pathway easily, Cr ions do not easily diffuse away from their initial positions. This means that the heavy Cr ions will block the one-dimensional diffusion pathway of the material. Monte Carlo simulations are performed to evaluate the influences of the blocking behaviours on the electrochemical performance of LiFePO4 cathode material for Li ion secondary batteries. The results show that the evaluated capacity is highly sensitive to the amount of the dopant, the size of the super-cell being used for simulation (particle size of the powder cathode material) and the Monte Carlo steps for statistics (charge-discharge current density).

  1. On the magnitude and variability of subgrid-scale eddy-diffusion coefficients in the atmospheric surface layer

    NASA Astrophysics Data System (ADS)

    Kleissl, J.; Meneveau, C.; Parlange, M. B.

    2003-04-01

    A field study (Horizontal Array Turbulence Study - HATS) was performed during the summer of 2000 in collaboration with NCAR (ATD and MMM Divisions). The instrumentation consists of two vertically separated horizontal arrays of 3d-sonic anemometers, placed in the atmospheric surface layer. Here we present analysis of the data to address open problems in turbulence modelling for LES of atmospheric boundary layers. From 2d-filtering and differentiating the velocity fields, subgrid-scale (SGS) and resolved quantities are computed. The Smagorinsky coefficient c_s is obtained from the data by matching time-averaged measured and modelled SGS dissipations under various flow conditions. Results indicate that c_s is reduced near the ground, and also decreases rapidly with increasing stability in stable atmospheric conditions. A simple fit to the data is given that can be used in simulations. Pdfs of c_s conditioned on stability are computed to study the median and variability of c_s when different averaging time-scales are used to compute the coefficient. It can be concluded that the mode and median of the pdfs are essentially independent of the time-scale used for statistical averaging, which is an encouraging result for applications of the lagrangian dynamic SGS model. The width of the pdfs decreases with increasing averaging time, for unstable and neutral stability conditions. For stable conditions, the relative variability of the coefficient remains strong even for long averaging times, indicative of strong intermittency. In unstable conditions, c_s is fairly independent of local strain-rate magnitude, supporting the basic scaling of the Smagorinsky eddy viscosity. For stable conditions, a transition occurs between small local strain rate magnitudes, where c_s is nearly constant, and high local strain-rate magnitudes, where c_s decreases appreciably. The results suggest that when the filter scale approaches the local integral scale of turbulence (height above the ground or Monin-Obukhov length), one needs to include the friction velocity as relevant velocity to scale the eddy viscosity, in addition to the standard velocity scale of the Smagorinsky model based on filtered strain-rate magnitude.

  2. A Comparative Study of the Harmonic and Arithmetic Averaging of Diffusion Coefficients for Non-linear Heat Conduction Problems

    SciTech Connect

    Samet Y. Kadioglu; Robert R. Nourgaliev; Vincent A. Mousseau

    2008-03-01

    We perform a comparative study for the harmonic versus arithmetic averaging of the heat conduction coefficient when solving non-linear heat transfer problems. In literature, the harmonic average is the method of choice, because it is widely believed that the harmonic average is more accurate model. However, our analysis reveals that this is not necessarily true. For instance, we show a case in which the harmonic average is less accurate when a coarser mesh is used. More importantly, we demonstrated that if the boundary layers are finely resolved, then the harmonic and arithmetic averaging techniques are identical in the truncation error sense. Our analysis further reveals that the accuracy of these two techniques depends on how the physical problem is modeled.

  3. Activity Coefficient Derivatives of Ternary Systems Based on Scatchard's Neutral Electrolyte description

    SciTech Connect

    Miller, D G

    2007-05-16

    Activity coefficient derivatives with respect to molality are presented for the Scatchard Neutral Electrolyte description of a ternary common-ion electrolyte system. These quantities are needed for the calculation of 'diffusion Onsager coefficients' and in turn for tests of the Onsager Reciprocal Relations in diffusion. The usually-omitted b{sub 23} term is included. The direct SNE binary approximations and a further approximation are discussed. Binary evaluation strategies other than constant ionic strength are considered.

  4. Modeling X-Ray Photoionized Plasmas: Ion Storage Ring Measurements of Low Temperature Dielectronic Recombination Rate Coefficients for L-Shell Iron

    NASA Technical Reports Server (NTRS)

    Savin, D. W.; Badnell, N. R.; Bartsch, T.; Brandau, C.; Chen, M. H.; Grieser, M.; Gwinner, G.; Hoffknecht, A.; Kahn, S. M.; Linkemann, J.

    2000-01-01

    Iron L-shell ions (Fe XVII to Fe XXIV) play an important role in determining the line emission and thermal and ionization structures of photoionized gases. Existing uncertainties in the theoretical low temperature dielectronic recombination (DR) rate coefficients for these ions significantly affects our ability to model and interpret observations of photoionized plasmas. To help address this issue, we have initiated a laboratory program to produce reliable low temperature DR rates. Here, we present some of our recent results and discuss some of their astrophysical implications.

  5. Rapid determination of ions by combined solid-phase extraction--diffuse reflectance spectroscopy

    NASA Technical Reports Server (NTRS)

    Fritz, James S.; Arena, Matteo P.; Steiner, Steven A.; Porter, Marc D.

    2003-01-01

    We introduce colorimetric solid-phase extraction (C-SPE) for the rapid determination of selected ions. This new technique links the exhaustive concentration of an analyte by SPE onto a membrane disk surface for quantitative measurement with a hand-held diffuse reflectance spectrometer. The concentration/measurement procedure is complete in approximately 1 min and can be performed almost anywhere. This method has been used to monitor iodine and iodide in spacecraft water in the 0.1-5.0 ppm range and silver(I) in the range of 5.0-1000 microg/l. Applications to the trace analysis of copper(II), nickel(II), iron(III) and chromium(VI) are described. Studies on the mechanism of extraction showed that impregnation of the disk with a surfactant as well as a complexing reagent results in uptake of additional water, which markedly improves the extraction efficiency.

  6. Analysis and evalaution in the production process and equipment area of the low-cost solar array project. [including modifying gaseous diffusion and using ion implantation

    NASA Technical Reports Server (NTRS)

    Goldman, H.; Wolf, M.

    1979-01-01

    The manufacturing methods for photovoltaic solar energy utilization are assessed. Economic and technical data on the current front junction formation processes of gaseous diffusion and ion implantation are presented. Future proposals, including modifying gaseous diffusion and using ion implantation, to decrease the cost of junction formation are studied. Technology developments in current processes and an economic evaluation of the processes are included.

  7. Plasmid DNA mono-ion complex stabilized by hydrogen bond for in vivo diffusive gene delivery.

    PubMed

    Asayama, Shoichiro; Nohara, Atsushi; Negishi, Yoichi; Kawakami, Hiroyoshi

    2015-04-13

    Our original concept of the mono-ion complex (MIC) between plasmid DNA (pDNA) and a monocationic biocompatible polymer has been stabilized by hydrogen bond formation. To form the hydrogen bond with pDNA, ?-amide-pentylimidazolium end-modified poly(ethylene glycol), that is, APe-Im-PEG, has been synthesized. Agarose gel retardation assay and circular dichroism measurement have revealed that the MIC between pDNA and APe-Im-PEG has been stabilized by the hydrogen bond between pDNA and the ?-amide group and that the stable MIC has surprisingly further migrated into gel, as compared with naked pDNA. The rise of melting temperature suggests that the specific hydrogen bond forms between an adenine-thymine base pair and the ?-amide group. The resulting pDNA MIC with APe-Im-PEG has enhanced gene expression by intramuscular administration in mice, as compared with a poly(ethylenimine) polyion complex (PIC). These results suggest that the pDNA MIC is diffusive in vivo administration site, as compared with pDNA PICs. Our methodology for MIC stabilization by a ?-amide group is expected to offer superior supramolecular systems to those by ubiquitous PICs for in vivo diffusive gene delivery. PMID:25749015

  8. The Effect of Temperature on Kinetics and Diffusion Coefficients of Metallocene Derivatives in Polyol-Based Deep Eutectic Solvents

    PubMed Central

    Bahadori, Laleh; Chakrabarti, Mohammed Harun; Manan, Ninie Suhana Abdul; Hashim, Mohd Ali; Mjalli, Farouq Sabri; AlNashef, Inas Muen; Brandon, Nigel

    2015-01-01

    The temperature dependence of the density, dynamic viscosity and ionic conductivity of several deep eutectic solvents (DESs) containing ammonium-based salts and hydrogen bond donvnors (polyol type) are investigated. The temperature-dependent electrolyte viscosity as a function of molar conductivity is correlated by means of Walden’s rule. The oxidation of ferrocene (Fc/Fc+) and reduction of cobaltocenium (Cc+/Cc) at different temperatures are studied by cyclic voltammetry and potential-step chronoamperometry in DESs. For most DESs, chronoamperometric transients are demonstrated to fit an Arrhenius-type relation to give activation energies for the diffusion of redox couples at different temperatures. The temperature dependence of the measured conductivities of DES1 and DES2 are better correlated with the Vogel-Tamman-Fulcher equation. The kinetics of the Fc/Fc+ and Cc+/Cc electrochemical systems have been investigated over a temperature range from 298 to 338 K. The heterogeneous electron transfer rate constant is then calculated at different temperatures by means of a logarithmic analysis. The glycerol-based DES (DES5) appears suitable for further testing in electrochemical energy storage devices. PMID:26642045

  9. Ion-assisted precursor dissociation and surface diffusion: Enabling rapid, low-temperature growth of carbon nanofibers

    SciTech Connect

    Denysenko, I.; Ostrikov, K.

    2007-06-18

    Growth kinetics of carbon nanofibers in a hydrocarbon plasma is studied. In addition to gas-phase and surface processes common to chemical vapor deposition, the model includes (unique to plasma-exposed catalyst surfaces) ion-induced dissociation of hydrocarbons, interaction of adsorbed species with incoming hydrogen atoms, and dissociation of hydrocarbon ions. It is shown that at low, nanodevice-friendly process temperatures the nanofibers grow via surface diffusion of carbon adatoms produced on the catalyst particle via ion-induced dissociation of a hydrocarbon precursor. These results explain a lower activation energy of nanofiber growth in a plasma and can be used for the synthesis of other nanoassemblies.

  10. SOIL-DIFFUSIVE GRADIENT IN THIN FILMS PARTITION COEFFICIENTS ESTIMATE METAL BIOAVAILABILITY TO CROPS AT FERTILIZED FIELD SITES

    PubMed Central

    PEREZ, ANGELA L.

    2014-01-01

    Field trials in four distinct agricultural soils were conducted to examine changes to total recoverable and labile soil Cd and Ni concentrations with applications of commercial phosphate fertilizers. The edible portion of wheat and potato crops grown at the field plots were analyzed for recoverable Cd and Ni. Total recoverable Ni and Cd concentrations in agricultural soils increased by 10 and 22%, respectively, each year of the study at recommended application rates. Labile Cd and Ni were measured using diffusive gradients in thin films (DGT), a passive sampling device reported to estimate the plant bioavailable metal fraction. Nickel concentrations measured with DGT did not significantly change with treatment nor did they change over time. Cadmium concentrations measured with DGT increased with application rate and over time from 2003 to 2005, then decreased in 2006. Wheat grain Cd concentrations and Cd and Ni levels in tubers increased significantly with fertilizer treatment level. Grain and tuber Cd values exceeded the minimal risk levels for chronic oral exposure. At agronomical P-fertilizer application rates, 25% of plant samples deviated from the Cd minimal risk levels. The present study reports the use of Kd-BIO, defined as the ratio of total recoverable metal to GT measured metal, as a significant indicator of crop metal accumulation in the edible portion. The Kd-BIO values were well correlated with both grain and tuber concentrations over multiple growing seasons. Results from long-term field trials emphasize Kd-BIO as a dynamic term that provides risk characterization information about the fate of Cd and Ni in aged, fertilized agricultural soils and crops. PMID:19432507

  11. Planar waveguides formed by Ag+-Na+ ion exchange in nonlinear optical glasses: diffusion and optical properties.

    PubMed

    Martin, M; Videau, J J; Canioni, L; Adamietz, F; Sarger, L; Le Flem, G

    2000-01-20

    All-optical communication systems are the subject of intense research related to the integration of nonlinear optical materials. In sodiocalcic borophosphate glasses that contain niobium oxide and exhibit high nonlinear optical indices, planar waveguides have been formed by a Ag(+)-Na(+) ion-exchange technique. WKB analysis has been used to characterize the diffusion profiles of silver ions exchanged in glass substrate samples chemically by an electron microprobe technique and optically by an M-line technique. These methods permit the Ag(+) penetration depth and diffusion profile shape and index profiles to be determined. The results are analyzed and discussed in relation to Ca(2+) concentration and exchange conditions in glasses. The Ag(+) diffusion in these glasses can be almost entirely controlled for index-profile engineering. PMID:18337913

  12. Investigation of thermal diffusivity dependence on temperature in a group of optical single crystals doped with rare earth ions

    NASA Astrophysics Data System (ADS)

    Trefon-Radziejewska, D.; Bodzenta, J.

    2015-07-01

    The group of YAG, YVO4 and GdCOB single crystals was examined to determine the thermal diffusivity as a function of temperature in range from 30 °C to 300 °C. Further investigations concerned on analysis of the influence of dopants on these dependencies. The experimental setup based on thermal wave method with mirage detection was used. The samples represented different crystallographic systems such as cubic (YAG) tetragonal (YVO4) and monoclinic (GdCOB). The anisotropy of thermal conductivity of investigated samples was taken into account in the investigations. The crystals were doped with calcium ions, rare earth ions such as ytterbium, neodymium, and thulium, and also with transition metal vanadium. The results confirmed that influence of doping on the thermal diffusivity of investigated materials strongly depends on temperature. In general the thermal diffusivity decreases with increasing of sample temperature from 30 °C to 300 °C, however the drop in thermal diffusivity is the highest for pure single crystals. Doping is another factor reducing the heat transport in single crystals. Introduction of dopant ions into a crystal lattice leads to a significant decrease in the thermal diffusivity at lower temperatures in comparison with pure crystals. However, the influence of dopants becomes less pronounced with increasing temperature, and in case of weakly doped crystals it becomes negligible at higher temperatures. The interpretation of thermal diffusivity dependence on temperature for single crystals was based on the Debye model of lattice thermal conductivity of solids. The results allowed to conclude that the decrease of thermal diffusivity with temperature and increasing concentration of impurities is caused by shortening of the phonons mean free path due to phonon-phonon and phonon-point defect scatterings.

  13. Deceleration of the solar wind upstream from the earth's bow shock and the origin of diffuse upstream ions

    NASA Technical Reports Server (NTRS)

    Bame, S. J.; Asbridge, J. R.; Feldman, W. C.; Gosling, J. T.; Paschmann, G.; Skopke, N.

    1980-01-01

    Observations with the Los Alamos Scientific Laboratory/Max-Planck-Institut crossed-fan solar wind ion experiment on ISEE I reveal that the solar wind is decelerated and deflected away from the direction of the earth's bow shock as it enters that portion of the upstream region populated by diffuse bow shock ions and long-period (10-60 s) waves. Typically, the average directed velocity vector changes by 7-10 km/s as it enters the wave region. At times, average speed changes as large as 25-40 km/s are observed. Superposed upon these changes in average flow speed are large amplitude (+ or - 15) fluctuations in flow speed associated with the waves themselves. The observations suggest that the solar wind deceleration is the result of momentum transfer from reflected bow shock ions to the wind via the long-period waves as the reflected ion beams go unstable. The broad angular distributions of the diffuse ions thus appear to be produced as a consequence of the disruption of reflected ion beams.

  14. Nuclear magnetic resonance measurement of ammonia diffusion in dense solid-liquid slurries

    SciTech Connect

    Bobroff, S.; Phillips, R.J.; Shekarriz, A.

    1997-09-01

    The diffusion of ammonium ions in aqueous solutions was measured by nuclear magnetic resonance (NMR) using the pulsed field gradient (PFG) method. The ammonium ions were obtained from aqueous solutions of ammonium chloride, ammonium sulfate, ammonium bicarbonate, and ammonium hydroxide. The translation diffusion of the ammonium ions was determined by measuring the diffusion of nitrogen nuclei ({sup 14}N and {sup 15}N) in solution. Our results showed that the ammonium diffusion coefficient can be measured in aqueous solutions with concentrations as low as 20 x 10{sup -3} M. Typical values measured for the diffusion coefficient of the ammonium ion are 2 x 10{sup -5} cm{sup 2/s} ({+-}10%), similar to the values found for pure water. Due to the effect of the solution pH upon the NMR relaxation parameters for {sup 14}N, measurements are constrained to pH values below 8.5. However, {sup 15}N labeled ammonium is less sensitive to the solution pH, extending the measurement range to pH of 9.5. Diffusion measurements were conducted with solutions of varying viscosity and porosity. The results show that the solution viscosity has a measureable impact on the diffusion coefficient. The diffusion coefficient is almost inversely proportional to the relative viscosity of the solution, irrespective of how the viscosity is increased. Further, a randomly-packed porous bed of 200 mm PMMA resulted in a reduction of {approximately}30% in the diffusion coefficient as a result of hindered diffusion.

  15. Ion Sorption, Diffusion and Transport in Polymer Membranes J. Kamcev, N. Yan, E.S. Jang, M. Galizia, D. R. Paul, and B. D. Freeman

    E-print Network

    Turro, Nicholas J.

    Ion Sorption, Diffusion and Transport in Polymer Membranes J. Kamcev, N. Yan, E.S. Jang, M. Galizia applications involving control of water and ion transport, such as reverse osmosis and electrodialysis. Efforts to control transport rates of water, ions, or both. Improving membranes for such processes would benefit from

  16. Mini-jet thermalization and diffusion of transverse momentum correlation in high-energy heavy-ion collisions

    E-print Network

    Long-gang Pang; Qun Wang; Xin-Nian Wang; Rong Xu

    2009-11-13

    Transverse momentum correlation in azimuthal angle of produced hadrons due to mini-jets are studied first within the HIJING Monte Carlo model in high-energy heavy-ion collisions. Jet quenching in the early stage of thermalization is shown to lead to significant diffusion (broadening) of the correlation. Evolution of the transverse momentum density fluctuation that gives rise to such correlation in azimuthal angle in the later stage of heavy-ion collisions is further investigated within a linearized diffusion-like equation and is shown to be determined by the shear viscosity of the evolving dense matter. Such a diffusion equation for the transverse momentum fluctuation is solved with initial values given by HIJING and together with the hydrodynamic equation for the bulk medium. The final transverse momentum correlation in azimuthal angle is calculated along the freeze-out hyper-surface and is found further diffused for larger values of shear viscosity to entropy density ratio $\\eta/s \\sim 0.2-0.4$. Therefore the final transverse momentum correlation in azimuthal angle can be used to study the thermalization of mini-jets in the early stage of heavy-ion collisions and the viscous effect in the hydrodynamic evolution of the strongly coupled quark gluon plasma.

  17. Radiation-enhanced thermal diffusion of transition metal and rare earth ions into II-VI semiconductors

    NASA Astrophysics Data System (ADS)

    Martinez, Alán.; Williams, Lamario; Gafarov, Ozarfar; Martyshkin, Dmitry; Fedorov, Vladimir; Mirov, Sergey

    2015-02-01

    We report on study of gamma radiation-enhanced thermal diffusion of Transition Metal and Rare Earth ions into IIVI semiconductor crystals. ZnSe and ZnS samples with of iron thin film deposited on one facet were sealed in evacuated quartz ampoules at 10-3 Torr. The crystals were annealed for 14 days at 950°C under ?-irradiation from 60Co source. The irradiation dose rates of 43.99 R/s, 1.81 R/s were varied by distance between 60Co source and furnaces. For comparison, the samples were also annealed without irradiation at the same temperature. The spatial distributions of transition metal were measured by absorption of focused laser radiation at 5T2-5E mid-IR transitions of iron ions. In addition, samples of ZnSe were similarly sealed in evacuated quartz ampoules in the presence of Praseodymium metal and annealed at 950°C under 43.99 R/s and 0 R/s and the diffusion lengths and Pr concentrations were compared. The ?-irradiation results in better intrusion of the iron ions from the metal film and increase of the diffusion length at ~25%, while Praseodymium diffusion is dramatically enhanced by ?-irradiation during the annealing process.

  18. Pretreatment Apparent Diffusion Coefficient of the Primary Lesion Correlates With Local Failure in Head-and-Neck Cancer Treated With Chemoradiotherapy or Radiotherapy

    SciTech Connect

    Hatakenaka, Masamitsu; Nakamura, Katsumasa; Yabuuchi, Hidetake; Shioyama, Yoshiyuki; Matsuo, Yoshio; Ohnishi, Kayoko; Sunami, Shunya; Kamitani, Takeshi; Setoguchi, Taro; Yoshiura, Takashi; Nakashima, Torahiko; Nishikawa, Kei; Honda, Hiroshi

    2011-10-01

    Purpose: This study was performed to evaluate whether the apparent diffusion coefficient (ADC) of a primary lesion correlates with local failure in primary head-and-neck squamous cell carcinoma (HNSCC) treated with chemoradiotherapy or radiotherapy. Methods and Materials: We retrospectively studied 38 patients with primary HNSCC (12 oropharynx, 20 hypopharynx, 4 larynx, 2 oral cavity) treated with chemoradiotherapy or radiotherapy with radiation dose to gross tumor volume equal to or over 60 Gy and who underwent pretreatment magnetic resonance imaging, including diffusion-weighted imaging. Ten patients developed local failure during follow-up periods of 2.0 to 9.3 months, and the remaining 28 showed local control during follow-up periods of 10.5 to 31.7 months. The variables that could affect local failure (age, tumor volume, ADC, T stage, N stage, dose, treatment method, tumor location, and overall treatment time) were analyzed using logistic regression analyses for all 38 patients and for 17 patients with Stage T3 or T4 disease. Results: In univariate logistic analysis for all 38 cases, tumor volume, ADC, T stage, and treatment method showed significant (p < 0.05) associations with local failure. In multivariate analysis, ADC and T stage revealed significance (p < 0.01). In univariate logistic analysis for the 17 patients with Stage T3 or T4 disease, ADC and dose showed significant (p < 0.01) associations with local failure. In multivariate analysis, ADC alone showed significance (p < 0.05). Conclusions: The results suggest that pretreatment ADC, along with T stage, is a potential indicator of local failure in HNSCC treated with chemoradiotherapy or radiotherapy.

  19. Determination of diffusion coefficients of hydrogen in fused silica between 296 and 523 K by Raman spectroscopy and application of fused silica capillaries in studying redox reactions

    USGS Publications Warehouse

    Shang, L.; Chou, I.-Ming; Lu, W.; Burruss, R.C.; Zhang, Y.

    2009-01-01

    Diffusion coefficients (D) of hydrogen in fused silica capillaries (FSC) were determined between 296 and 523 K by Raman spectroscopy using CO2 as an internal standard. FSC capsules (3.25 ?? 10-4 m OD, 9.9 ?? 10-5 m ID, and ???0.01 m long) containing CO2 and H2 were prepared and the initial relative concentrations of hydrogen in these capsules were derived from the Raman peak-height ratios between H2 (near 587 cm-1) and CO2 (near 1387 cm-1). The sample capsules were then heated at a fixed temperature (T) at one atmosphere to let H2 diffuse out of the capsule, and the changes of hydrogen concentration were monitored by Raman spectroscopy after quench. This process was repeated using different heating durations at 296 (room T), 323, 375, 430, 473, and 523 K; the same sample capsule was used repeatedly at each temperature. The values of D (in m2 s-1) in FSC were obtained by fitting the observed changes of hydrogen concentration in the FSC capsule to an equation based on Fick's law. Our D values are in good agreement with the more recent of the two previously reported experimental data sets, and both can be represented by: ln D = - (16.471 ?? 0.035) - frac(44589 ?? 139, RT) (R2 = 0.99991) where R is the gas constant (8.3145 J/mol K), T in Kelvin, and errors at 1?? level. The slope corresponds to an activation energy of 44.59 ?? 0.14 kJ/mol. The D in FSC determined at 296 K is about an order of magnitude higher than that in platinum at 723 K, indicating that FSC is a suitable membrane for hydrogen at temperature between 673 K and room temperature, and has a great potential for studying redox reactions at these temperatures, especially for systems containing organic material and/or sulphur. ?? 2009 Elsevier Ltd.

  20. Bonding and diffusion of nitrogen in the InSbN alloys fabricated by two-step ion implantation

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Zhang, D. H.; Chen, X. Z.; Jin, Y. J.; Li, J. H.; Liu, C. J.; Wee, A. T. S.; Zhang, Sam; Ramam, A.

    2012-07-01

    We report bonding and diffusion behavior of nitrogen incorporated into InSb wafer by two-step implantation. Three nitrogen-containing regions, i.e., a surface accumulation region, a uniform region, and a tail region, were observed in the samples after post annealing. X-ray photoelectron spectroscopy measurements at different depths reveal that majority of the nitrogen forms In-N bonds in the uniform region but exists as interstitial defects in the tail region. The diffusion coefficients of nitrogen in InSb were obtained by fitting the modified Fick's law with experimental data and the activation energy of 0.55 ± 0.04 eV extracted confirms the interstitial dominating diffusion of nitrogen in the InSb wafer.

  1. Diffusion across the modified polyethylene separator GX in the heat-sterilizable AgO-Zn battery

    NASA Technical Reports Server (NTRS)

    Lutwack, R.

    1973-01-01

    Models of diffusion across an inert membrane have been studied using the computer program CINDA. The models were constructed to simulate various conditions obtained in the consideration of the diffusion of Ag (OH)2 ions in the AgO-Zn battery. The effects on concentrations across the membrane at the steady state and on the fluxout as a function of time were used to examine the consequences of stepwise reducing the number of sources of ions, of stepwise blocking the source and sink surfaces, of varying the magnitude of the diffusion coefficient for a uniform membrane, of varying the diffusion coefficient across the membrane, and of excluding volumes to diffusion.

  2. Global Confinement, Sawtooth Mixing, and Stochastic Diffusion Ripple Loss of Fast ICRF-driven H+ Minority Ions in TFTR

    SciTech Connect

    Petrov, M.P.; Bell, R.; Budny, R.V.; Gorelenkov, N.N.; Medley, S.S.; Zweben, S.J., PPPL

    1998-07-01

    This paper presents studies of ICRF-driven H+ minority ions in TFTR (Tokamak Fusion Test Reator) deuterium plasmas using primarily passive Ho flux detection in the energy range of 0.2-1.0 MeV with some corroborating active (lithium pellet charge exchange) measurements. It is shown that in the passive mode the main donors for the neutralization of H+ ions in this energy range are C5+ ions. The measured effective H+ tail temperatures range from 0.15 MeV at an ICRF power of 2 MW to 0.35 MeV at 6 MW. Analysis of the ICRF-driven H+ ion energy balance has been performed on the basis of the dependence of effective H+ temperatures on the plasma parameters. The analysis showed that H+ confinement times are comparable with their slowing-down times and tended to decrease with increasing ICRF power. Radial redistribution of ICRF-driven H+ ions was detected when giant sawtooth crashes occurred during the ICRF heating. The redistribution affected ions with energy below 0.7-0.8 MeV. The sawtooth crashes displace H+ ions outward along the plasma major radius into the stochastic ripple diffusion domain were those ions are lost in about 10 milliseconds. These observations are consistent with the model of the redistribution of energetic particles developed previously to explain the results of deuterium-tritium alpha-particle redistribution due to sawteeth observed in TFTR. The experimental data are also consistent with ORBIT code simulations of H+ stochastic ripple diffusion losses.

  3. ALUMINUM IMPURITY DIFFUSION IN MAGNESIUM

    SciTech Connect

    Brennan, Sarah; Warren, Andrew; Coffey, Kevin; Kulkarni, Nagraj S; Todd, Peter J; Sohn, Yong Ho; Klimov, Mikhail

    2012-01-01

    The Al impurity diffusion in polycrystalline Mg (99.9%) via depth profiling with secondary ion mass spectrometry was studied in the temperature range of 673-573K, utilizing the thin film method and thin film solution to the diffusion equation. Multiple samples were utilized and multiple profiles were obtained to determine statistically confident coefficient with maximum standard deviation of 16%. Activation energy and pre-exponential factor of Al impurity diffusion in Mg was determined as 155 kJ/mole and 3.9 x 10-3 m2/sec.

  4. Diffusion of ion-implanted group 4 n-type dopants in gallium arsenide and gallium/arsenide-based superlattices

    NASA Astrophysics Data System (ADS)

    Allen, Emily Lin

    1992-09-01

    As semiconductor device dimensions shrink, understanding and controlling dopant diffusion becomes increasingly important. For submicron FET's made in GaAs, dopant diffusion during post-implant anneal is undesirable. In addition, impurity induced intermixing of III-V heterostructures for optoelectronic devices requires a series of carefully controlled diffusion steps. A more complete understanding of the diffusion mechanisms of dopants and point defects in both GaAs and Al(x)Ga(1-x)As is thus required for several advanced technologies. Most of the published parameters for diffusion of dopants in III-V compound semiconductors are from thin film or vapor source diffusions. The effect of implant damage and extended defects on diffusion of implanted dopants in GaAs and Al(x)Ga(1-x)As has not been extensively studied. In this work we measure the carrier concentrations and diffusivities of the ion-implanted Group IV dopants Sn, Ge and Si in GaAs and Al(x)Ga(1-x)As, using SIMS, polaron and SUPREM 3.5 simulations. In the substrate, diffusion is modeled by an effective diffusivity which depends on the square of the electron concentration (n), due to enhancement of the negatively charged Ga vacancy concentration by the n-type doping. In the near-surface implanted region diffusion is suppressed for doses greater than 1 x 10(exp 14)/sq cm. The carrier concentrations for Sn implants are anomalously high in this region, and anomalously low for Ge and Si. Transmission electron microscopy shows that precipitates and dislocations form in the implanted region during annealing for doses greater than 1 x 10(exp 14)/sq cm. These extended defects may influence dopant diffusion by controlling the generation and recombination of point defects. The carrier concentration-dependent diffusion model is applied to interdiffusion of Al and Ga in AlAs/Al(x)Ga(1-x)As superlattice structures. We show that interdiffusion is enhanced more under an oxide film than under a nitride film, while a tungsten nitride film suppresses disordering. These effects are due to Fermi level enhancement of the vacancy concentration and vacancy injection from the encapsulant.

  5. Determination of oxygen adsorption-desorption rates and diffusion rate coefficients in perovskites at different oxygen partial pressures by a microkinetic approach.

    PubMed

    Rochoux, M; Guo, Y; Schuurman, Y; Farrusseng, D

    2015-01-14

    A novel, powerful method based on a microkinetic approach is described for the estimation of the oxygen transport parameters of mixed electronic conducting materials (MIECs). This method is validated on the perovskite La0.6Sr0.4Co0.2Fe0.8O3-? and has been applied on Ba0.5Sr0.5Co0.8Fe0.2O3-?. This approach is original and relevant in that the surface kinetic rate constants are measured using a sample in powder form. In contrast to methods previously used, such as isotope exchange depth profiling (IEDP) and electrical conductivity relaxation (ECR), which determine the global exchange kinetic parameter, our microkinetic modelling approach allows the estimation of the forward and reverse kinetic rates accounting for the oxygen vacancy concentration. Also, the self-diffusion rate coefficient has been estimated at different oxygen partial pressures. This microkinetic approach, which combines SSITKA (steady-state isotopic transient kinetic analysis) and thermogravimetric measurements at controlled oxygen partial pressure, has the potential to significantly accelerate the characterization of oxygen transport in perovskites and related materials in the future. In this study, the kinetic parameters were measured in a temperature window between 873 K and 1173 K, and at two oxygen pressure conditions (21 kPa and 1 kPa) that are appropriate for simulating the semi-permeability of oxygen in a membrane in a process of oxygen separation from air. PMID:25429893

  6. The Diagnostic Ability of Follow-Up Imaging Biomarkers after Treatment of Glioblastoma in the Temozolomide Era: Implications from Proton MR Spectroscopy and Apparent Diffusion Coefficient Mapping

    PubMed Central

    Bulik, Martin; Kazda, Tomas; Slampa, Pavel; Jancalek, Radim

    2015-01-01

    Objective. To prospectively determine institutional cut-off values of apparent diffusion coefficients (ADCs) and concentration of tissue metabolites measured by MR spectroscopy (MRS) for early differentiation between glioblastoma (GBM) relapse and treatment-related changes after standard treatment. Materials and Methods. Twenty-four GBM patients who received gross total resection and standard adjuvant therapy underwent MRI examination focusing on the enhancing region suspected of tumor recurrence. ADC maps, concentrations of N-acetylaspartate, choline, creatine, lipids, and lactate, and metabolite ratios were determined. Final diagnosis as determined by biopsy or follow-up imaging was correlated to the results of advanced MRI findings. Results. Eighteen (75%) and 6 (25%) patients developed tumor recurrence and pseudoprogression, respectively. Mean time to radiographic progression from the end of chemoradiotherapy was 5.8 ± 5.6 months. Significant differences in ADC and MRS data were observed between those with progression and pseudoprogression. Recurrence was characterized by N-acetylaspartate ? 1.5?mM, choline/N-acetylaspartate ? 1.4 (sensitivity 100%, specificity 91.7%), N-acetylaspartate/creatine ? 0.7, and ADC ? 1300 × 10?6?mm2/s (sensitivity 100%, specificity 100%). Conclusion. Institutional validation of cut-off values obtained from advanced MRI methods is warranted not only for diagnosis of GBM recurrence, but also as enrollment criteria in salvage clinical trials and for reporting of outcomes of initial treatment. PMID:26448943

  7. Cysteamine-induced inhibition of acid neutralization and the increase in hydrogen ion back-diffusion in duodenal mucosa

    SciTech Connect

    Ohe, K.; Okada, Y.; Fujiwara, T.; Inoue, M.; Miyoshi, A.

    1982-03-01

    To investigate the possible impairment of defensive mechanisms in cysteamine-induced duodenal ulceration, the effect of cysteamine on the neutralization of acid by the duodenum and the back-diffusion of hydrogen ions into the duodenal mucosa has been studied. The results obtained were as follows. (1) The intraduodenal pH started to decrease between 3 and 4 hr after cysteamine injection. (2) By perfusion of the duodenal loop excluding the opening of bile and pancreatic ducts, the amount of hydrogen ions (H+) neutralized was found to be significantly lower in cysteamine-treated animals than in the controls. (3) the back-diffusion of luminal H+ into the duodenal mucosa, estimated by measuring the H+ disappearance from the test solution including 100 mM HCl, was significantly increased by cysteamine. From these findings, it has been concluded that cysteamine reduces the resistance of duodenal mucosa to acid coming from the stomach.

  8. SIGN FOR SUPER-DIFFUSIVE TRANSPORT OF ENERGETIC IONS ASSOCIATED WITH A CORONAL-MASS-EJECTION-DRIVEN INTERPLANETARY SHOCK

    SciTech Connect

    Sugiyama, T.; Shiota, D.

    2011-04-20

    We study the transport properties of energetic particles in the upstream region of an interplanetary shock, considering the possibility of anomalous diffusion. We investigated the energetic storm particle event on 2006 December 14 observed by the ACE spacecraft at 1 AU. The spatial decay profile of the energetic particle flux does not exhibit an exponential behavior, as expected for the standard diffusive shock acceleration process, but a power-law behavior in anomalous or super-diffusive transport. The spatial profiles of the energetic ions with energy ranges of 0.546-0.761, 0.761-1.22, and 1.22-4.97 MeV are well fitted by a power-law distribution; we observe the relation ({Delta}x {sup 2}) {proportional_to} t {sup {alpha}} for {alpha}{approx} 1.28-1.33, where {Delta}x is the particle displacement within the timescale t, and the bracket denotes an ensemble average. This implies that particle propagation around a near-Earth orbit can be intermediate between normal diffusion ({alpha} = 1) and ballistic motion ({alpha} = 2), even though the power of the electromagnetic wave is sufficiently large to scatter the particles, and that an entirely different wave-particle interaction process based on linear or quasi-linear theories is responsible for the ion motion upstream of an interplanetary shock observed around the Earth's orbit.

  9. Determination of trace element mineral/liquid partition coefficients in melilite and diopside by ion and electron microprobe techniques

    NASA Technical Reports Server (NTRS)

    Kuehner, S. M.; Laughlin, J. R.; Grossman, L.; Johnson, M. L.; Burnett, D. S.

    1989-01-01

    The applicability of ion microprobe (IMP) for quantitative analysis of minor elements (Sr, Y, Zr, La, Sm, and Yb) in the major phases present in natural Ca-, Al-rich inclusions (CAIs) was investigated by comparing IMP results with those of an electron microprobe (EMP). Results on three trace-element-doped glasses indicated that it is not possible to obtain precise quantitative analysis by using IMP if there are large differences in SiO2 content between the standards used to derive the ion yields and the unknowns.

  10. Very fast bulk Li ion diffusivity in crystalline Li1.5Al0.5Ti1.5(PO4)3 as seen using NMR relaxometry.

    PubMed

    Epp, Viktor; Ma, Qianli; Hammer, Eva-Maria; Tietz, Frank; Wilkening, Martin

    2015-12-28

    The realization of large powerful all-solid-state batteries is still hampered by the availability of environmentally friendly and low-cost Li ion conductors that can easily be produced on a large scale and with high reproducibility. Advanced solid electrolytes benefit from fast ion-selective transport and non-flammability, but they may have low electrochemical stability with respect to Li metal. Sol-gel-synthesized lithium titanium aluminum phosphate Li1.5Al0.5Ti1.5(PO4)3 (LATP), which was prepared via a new synthesis route taking advantage of an annealing step at relatively low temperatures, has the potential to become one of the major players in this field although it may suffer from reduction upon direct contact with metallic lithium. Its ion dynamics is, however, as yet poorly understood. In the present study, (7)Li nuclear magnetic resonance (NMR) spectroscopy was used to monitor the key Li jump processes on the atomic scale. NMR relaxation clearly reveals heterogeneous dynamics comprising distinct ultra-fast and slower diffusion processes. The high Li ion self-diffusion coefficients deduced originate from a rapid Li exchange with activation energies as low as 0.16 eV which means that sol-gel synthesized LATP is superior to other solid electrolytes. Our NMR results fully support recent theoretical investigations on the underlying diffusion mechanism, indicating that to rapidly jump from site to site, the ions use interstitial sites connected by low-energy barriers in LATP. PMID:26580669

  11. ERRORS IN APPLYING LOW ION-STRENGTH ACTIVITY COEFFICIENT ALGORITHMS TO HIGHER IONIC-STRENGTH AQUATIC MEDIA

    EPA Science Inventory

    The toxicological and regulatory communities are currently exploring the use of free-ion-activity- models as a means of reducing uncertainties in current methods for assessing metals bioavailabi- lity from contaminated aquatic media. While most practitioners would support the des...

  12. Global Optimization by Adapted Diffusion

    E-print Network

    Poliannikov, Oleg V.

    In this paper, we study a diffusion stochastic dynamics with a general diffusion coefficient. The main result is that adapting the diffusion coefficient to the Hamiltonian allows to escape local wide minima and to speed ...

  13. Effects of doped acceptor ions on proton diffusion in perovskite oxides: a first-principles molecular-dynamics simulation

    NASA Astrophysics Data System (ADS)

    Shimojo, Fuyuki; Hoshino, Kozo; Okazaki, Hideo

    1998-01-01

    The effects of doped acceptor ions on proton diffusion in the protonic conductor Sc-doped 0953-8984/10/2/007/img6 are studied by means of a first-principles molecular-dynamics simulation. It is found that the proton forms an O-H bond with the neighbouring O ion, and that the frequency of the O-H stretching vibration depends on the position of the proton in the crystal. The frequencies obtained from our simulations are consistent with the experimental results obtained from the infrared-transmission spectra. It is shown that the position dependence of the O-H stretching vibration is caused by the electron density distribution in the Sc-doped 0953-8984/10/2/007/img6. Near the Sc ion, electrons tend to localize around each ion causing higher frequencies, while, near the Ti ion, the electron density between the Ti and O ions is larger than that in the undoped crystal, giving lower frequencies.

  14. Diffusion approximation-based simulation of stochastic ion channels: which method to use?

    PubMed Central

    Pezo, Danilo; Soudry, Daniel; Orio, Patricio

    2014-01-01

    To study the effects of stochastic ion channel fluctuations on neural dynamics, several numerical implementation methods have been proposed. Gillespie's method for Markov Chains (MC) simulation is highly accurate, yet it becomes computationally intensive in the regime of a high number of channels. Many recent works aim to speed simulation time using the Langevin-based Diffusion Approximation (DA). Under this common theoretical approach, each implementation differs in how it handles various numerical difficulties—such as bounding of state variables to [0,1]. Here we review and test a set of the most recently published DA implementations (Goldwyn et al., 2011; Linaro et al., 2011; Dangerfield et al., 2012; Orio and Soudry, 2012; Schmandt and Galán, 2012; Güler, 2013; Huang et al., 2013a), comparing all of them in a set of numerical simulations that assess numerical accuracy and computational efficiency on three different models: (1) the original Hodgkin and Huxley model, (2) a model with faster sodium channels, and (3) a multi-compartmental model inspired in granular cells. We conclude that for a low number of channels (usually below 1000 per simulated compartment) one should use MC—which is the fastest and most accurate method. For a high number of channels, we recommend using the method by Orio and Soudry (2012), possibly combined with the method by Schmandt and Galán (2012) for increased speed and slightly reduced accuracy. Consequently, MC modeling may be the best method for detailed multicompartment neuron models—in which a model neuron with many thousands of channels is segmented into many compartments with a few hundred channels. PMID:25404914

  15. Computational Modeling of Li Diffusion Using Molecular Dynamics

    E-print Network

    Holzwarth, Natalie

    D. Diffusion and Activation Energy Calculations...................................................................16 3) Diffusion Coefficients and Activation Energies ..........................................18 C ..........................................................................22 2) Diffusion Coefficients and Activation Energies ..........................................27 IV

  16. Estimation of optimal b-value sets for obtaining apparent diffusion coefficient free from perfusion in non-small cell lung cancer

    NASA Astrophysics Data System (ADS)

    Karki, Kishor; Hugo, Geoffrey D.; Ford, John C.; Olsen, Kathryn M.; Saraiya, Siddharth; Groves, Robert; Weiss, Elisabeth

    2015-10-01

    The purpose of this study was to determine optimal sets of b-values in diffusion-weighted MRI (DW-MRI) for obtaining monoexponential apparent diffusion coefficient (ADC) close to perfusion-insensitive intravoxel incoherent motion (IVIM) model ADC (ADCIVIM) in non-small cell lung cancer. Ten subjects had 40 DW-MRI scans before and during radiotherapy in a 1.5 T MRI scanner. Respiratory triggering was applied to the echo-planar DW-MRI with \\text{TR}? 4500 ms, TE??=??74?ms, eight b-values of 0-1000 ?s ?m-2, pixel size??=??1.98× 1.98 mm2, slice thickness??=??6?mm, interslice gap??=??1.2?mm, 7 axial slices and total acquisition time ?6?min. One or more DW-MRI scans together covered the whole tumour volume. Monoexponential model ADC values using various b-value sets were compared to reference-standard ADCIVIM values using all eight b-values. Intra-scan coefficient of variation (CV) of active tumour volumes was computed to compare the relative noise in ADC maps. ADC values for one pre-treatment DW-MRI scan of each of the 10 subjects were computed using b-value pairs from DW-MRI images synthesized for b-values of 0-2000 ?s ?m-2 from the estimated IVIM parametric maps and corrupted by various Rician noise levels. The square root of mean of squared error percentage (RMSE) of the ADC value relative to the corresponding ADCIVIM for the tumour volume of the scan was computed. Monoexponential ADC values for the b-value sets of 250 and 1000; 250, 500 and 1000; 250, 650 and 1000; 250, 800 and 1000; and 250-1000 ?s ?m-2 were not significantly different from ADCIVIM values (p>0.05 , paired t-test). Mean error in ADC values for these sets relative to ADCIVIM were within 3.5%. Intra-scan CVs for these sets were comparable to that for ADCIVIM. The monoexponential ADC values for other sets—0-1000 50-1000 100-1000 500-1000 and 250 and 800 ?s ?m-2 were significantly different from the ADCIVIM values. From Rician noise simulation using b-value pairs, there was a wide range of acceptable b-value pairs giving small RMSE of ADC values relative to ADCIVIM. The pairs for small RMSE had lower b-values as the noise level increased. ADC values of a two b-value set—250 and 1000 ?s ?m-2, and all three b-value sets with 250, 1000 ?s ?m-2 and an intermediate value approached ADCIVIM, with relative noise comparable to that of ADCIVIM. These sets may be used in lung tumours using comparatively short scan and post-processing times. Rician noise simulation suggested that the b-values in the vicinity of these experimental best b-values can be used with error within an acceptable limit. It also suggested that the optimal sets will have lower b-values as the noise level becomes higher.

  17. Temporal and spatial properties of ion solvation in simple liquids

    NASA Astrophysics Data System (ADS)

    Lankin, A. V.; Norman, G. E.; Orekhov, M. A.

    2015-11-01

    A research of the diffusion of an ion in a liquid is carried out. Dependences of the diffusion coefficient on the ion-molecule potential, ion mass, liquid temperature and density are defined. The results are related to the ion solvation. The classical molecular dynamics method is applied. The effect of the ion solvation is discovered. Firstly, ion mass has no influence on the diffusion coefficient. This is because the total mass of the cluster formed by the ion and the ion solvation shell varies slightly while the mass of the ion changes significantly. In addition, the dependence on short-range interaction is found to be rather weak. The dependence of the diffusion coefficient on long-range interaction is found to be really stronger than on short- range. The ion velocity autocorrelation function calculated reveals a strong oscillatory character superimposed on the conventional functional liquid-type form. It reflects the oscillations of the ion inside the solvation shell. The relation between the ion mobility and temperature is found to be of the Arrhenius-type form.

  18. Simultaneous [18F]FDG-PET/MRI: Correlation of Apparent Diffusion Coefficient (ADC) and Standardized Uptake Value (SUV) in Primary and Recurrent Cervical Cancer

    PubMed Central

    Bremicker, K.; Höckel, M.; Barthel, H.; Kluge, R.; Kahn, T.; Sabri, O.; Stumpp, P.

    2015-01-01

    Objectives Previous non–simultaneous PET/MR studies have shown heterogeneous results about the correlation between standardized uptake values (SUVs) and apparent diffusion coefficients (ADCs). The aim of this study was to investigate correlations in patients with primary and recurrent tumors using a simultaneous PET/MRI system which could lead to a better understanding of tumor biology and might play a role in early response assessment. Methods We included 31 patients with histologically confirmed primary (n = 14) or recurrent cervical cancer (n = 17) who underwent simultaneous whole-body 18F-FDG-PET/MRI comprising DWI. Image analysis was performed by a radiologist and a nuclear physician who identified tumor margins and quantified ADC and SUV. Pearson correlations were calculated to investigate the association between ADC and SUV. Results 92 lesions were detected. We found a significant inverse correlation between SUVmax and ADCmin (r = -0.532, p = 0.05) in primary tumors as well as in primary metastases (r = -0.362, p = 0.05) and between SUVmean and ADCmin (r = -0.403, p = 0.03). In recurrent local tumors we found correlations for SUVmax and ADCmin (r = -0.747, p = 0.002) and SUVmean and ADCmin (r = -0.773, p = 0.001). Associations for recurrent metastases were not significant (p>0.05). Conclusions Our study demonstrates the feasibility of fast and reliable measurement of SUV and ADC with simultaneous PET/MRI. In patients with cervical cancer we found significant inverse correlations for SUV and ADC which could play a major role for further tumor characterization and therapy decisions. PMID:26551527

  19. Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

    NASA Astrophysics Data System (ADS)

    Ohtori, Norikazu; Ishii, Yoshiki

    2015-10-01

    Explicit expressions of the self-diffusion coefficient, Di, and shear viscosity, ?sv, are presented for Lennard-Jones (LJ) binary mixtures in the liquid states along the saturated vapor line. The variables necessary for the expressions were derived from dimensional analysis of the properties: atomic mass, number density, packing fraction, temperature, and the size and energy parameters used in the LJ potential. The unknown dependence of the properties on each variable was determined by molecular dynamics (MD) calculations for an equimolar mixture of Ar and Kr at the temperature of 140 K and density of 1676 kg m-3. The scaling equations obtained by multiplying all the single-variable dependences can well express Di and ?sv evaluated by the MD simulation for a whole range of compositions and temperatures without any significant coupling between the variables. The equation for Di can also explain the dual atomic-mass dependence, i.e., the average-mass and the individual-mass dependence; the latter accounts for the "isotope effect" on Di. The Stokes-Einstein (SE) relation obtained from these equations is fully consistent with the SE relation for pure LJ liquids and that for infinitely dilute solutions. The main differences from the original SE relation are the presence of dependence on the individual mass and on the individual energy parameter. In addition, the packing-fraction dependence turned out to bridge another gap between the present and original SE relations as well as unifying the SE relation between pure liquids and infinitely dilute solutions.

  20. Ion exchanger in the brain: Quantitative analysis of perineuronally fixed anionic binding sites suggests diffusion barriers with ion sorting properties

    PubMed Central

    Morawski, Markus; Reinert, Tilo; Meyer-Klaucke, Wolfram; Wagner, Friedrich E.; Tröger, Wolfgang; Reinert, Anja; Jäger, Carsten; Brückner, Gert; Arendt, Thomas

    2015-01-01

    Perineuronal nets (PNs) are a specialized form of brain extracellular matrix, consisting of negatively charged glycosaminoglycans, glycoproteins and proteoglycans in the direct microenvironment of neurons. Still, locally immobilized charges in the tissue have not been accessible so far to direct observations and quantifications. Here, we present a new approach to visualize and quantify fixed charge-densities on brain slices using a focused proton-beam microprobe in combination with ionic metallic probes. For the first time, we can provide quantitative data on the distribution and net amount of pericellularly fixed charge-densities, which, determined at 0.4–0.5?M, is much higher than previously assumed. PNs, thus, represent an immobilized ion exchanger with ion sorting properties high enough to partition mobile ions in accord with Donnan-equilibrium. We propose that fixed charge-densities in the brain are involved in regulating ion mobility, the volume fraction of extracellular space and the viscosity of matrix components. PMID:26621052

  1. Pulsed field gradient magnetic resonance measurements of lithium-ion diffusion

    E-print Network

    Krsulich, Kevin D

    2014-01-01

    The transport of lithium ions between the electrolyte-electrode interface and the electrode bulk is an essential and presently rate limiting process in the high-current operation of lithium-ion batteries. Despite their ...

  2. Contribution to the benchmark for ternary mixtures: Measurement of the Soret, diffusion and thermodiffusion coefficients in the ternary mixture THN/IBB/nC12 with 0.8/0.1/0.1 mass fractions in ground and orbital laboratories.

    PubMed

    Mialdun, A; Legros, J-C; Yasnou, V; Sechenyh, V; Shevtsova, V

    2015-04-01

    We have determined the Soret (ST), diffusion (D, and thermodiffusion (DT) coefficients in a ternary mixture of tetralin-isobutylbenzene-n-dodecane with a composition of 0.80/0.10/0.10 by mass fraction at a temperature of 298K. The Soret coefficients were measured in the microgravity experiment DCMIX1 and on the ground by optical digital interferometry (ODI) using two lasers with different wavelengths. The values of the Soret coefficients were determined from the stationary separation of the components using two- and six-parameter fits. The diffusion coefficients were independently measured using the Taylor Dispersion Technique in the ground laboratory, and the thermodiffusion coefficients were derived from known ST and matrix D. The processing of the data from the DCMIX experiment conducted on the International Space Station is discussed in detail. The multi-user design of the on-board instrument causes perturbations in the component separation. Several recommendations are suggested for improving the quality of the microgravity results. For example, we demonstrated that the tomography reconstruction of the 3-D concentration field allows to restore the underestimated component separation resulting from the spatial non-linearity of the temperature field. Furthermore, to avoid errors in component separation due to mass exchange between the working liquid volume and the expansion volume at the top of the cell, we suggest considering the evolution of the separation only in the lower half of the cell. The results of this study displayed reasonable quantitative agreement between the microgravity and ground experiments. PMID:25916232

  3. Refractive index profile forming possibilities in planar waveguides produced by ion exchange method for amplitude sensors applications

    NASA Astrophysics Data System (ADS)

    Rogozi?ski, Roman; Kotyczka, Tomasz

    2011-06-01

    The paper presents the possibility of forming refractive index profiles in planar waveguides produced by ion exchange method in soda-lime glass - Ag+ admixture arrangement. The influence of refractive profile shape on modal attenuation distribution was analysed. Diffusion and heating processes were considered in all the calculations. Numerical simulations of processes were based on experimentally gained thermal diffusion coefficients of exchanged ions.

  4. Whole-Lesion Apparent Diffusion Coefficient Metrics as a Marker of Percentage Gleason 4 Component Within Gleason 7 Prostate Cancer at Radical Prostatectomy

    PubMed Central

    Rosenkrantz, Andrew B.; Triolo, Michael J.; Melamed, Jonathan; Rusinek, Henry; Taneja, Samir S.; Deng, Fang-Ming

    2015-01-01

    Purpose To retrospectively assess the utility of whole-lesion apparent diffusion coefficient (ADC) metrics in characterizing the Gleason 4 component of Gleason 7 prostate cancer (PCa) at radical prostatectomy. Materials and Methods Seventy patients underwent phased-array coil 3T-magnetic resonance imaging (MRI) before prostatectomy. A uropathologist mapped locations and Gleason 4 percentage (G4%) of Gleason 7 tumors. Two radiologists independently reviewed ADC maps, aware of tumor locations but not G4%, and placed a volume-of-interest (VOI) on all slices including each lesion on the ADC map to obtain whole-lesion mean ADC and ADC entropy. Entropy reflects textural variation and increases with greater macroscopic heterogeneity. Performance for characterizing Gleason 7 tumors was assessed with mixed-model analysis of variance (ANOVA) and logistic regression. Results Among 84 Gleason 7 tumors (G4% 5%–85%, median 30%; 59 Gleason 3+4, 25 Gleason 4+3), ADC entropy was significantly higher in Gleason 4+3 than Gleason 3+4 tumors (R1: 5.27 ± 0.61 vs. 4.62 ± 0.78, P =0.001; R2: 5.91 ± 0.32 vs. 5.57 ± 0.56, P =0.004); mean ADC was not significantly different between these groups (R1: 0.90 ± 0.15*10?3cm2/s vs. 0.98 ± 0.21 *10?3cm2/s, P =0.075; R2: 1.06 ± 0.19*10?3cm2/s vs. 1.14 ± 0.16*10?3cm2/s, P =0.083). The area under the receiver operating characteristic (ROC) curve (AUC) for differentiating groups was significantly higher with ADC entropy than mean ADC for one observer (R1: 0.74 vs. 0.57, P =0.027; R2: 0.69 vs. 0.61, P =0.329). For R1, correlation with G4% was moderate for ADC entropy (r =0.45) and weak for mean ADC (r =?0.25). For R2, correlation with G4% was moderate for ADC entropy (r =0.41) and mean ADC (r =?0.32). For both readers, ADC entropy (P =0.028–0.003), but not mean ADC (P =0.384–0.854), was a significant independent predictor of G4%. Conclusion Whole-lesion ADC entropy outperformed mean ADC in characterizing Gleason 7 tumors and may help refine prognosis for this heterogeneous PCa subset. PMID:24616064

  5. GEMAS: prediction of solid-solution phase partitioning coefficients (Kd) for oxoanions and boric acid in soils using mid-infrared diffuse reflectance spectroscopy.

    PubMed

    Janik, Leslie J; Forrester, Sean T; Soriano-Disla, José M; Kirby, Jason K; McLaughlin, Michael J; Reimann, Clemens

    2015-02-01

    The authors' aim was to develop rapid and inexpensive regression models for the prediction of partitioning coefficients (Kd), defined as the ratio of the total or surface-bound metal/metalloid concentration of the solid phase to the total concentration in the solution phase. Values of Kd were measured for boric acid (B[OH]3(0)) and selected added soluble oxoanions: molybdate (MoO4(2-)), antimonate (Sb[OH](6-)), selenate (SeO4(2-)), tellurate (TeO4(2-)) and vanadate (VO4(3-)). Models were developed using approximately 500 spectrally representative soils of the Geochemical Mapping of Agricultural Soils of Europe (GEMAS) program. These calibration soils represented the major properties of the entire 4813 soils of the GEMAS project. Multiple linear regression (MLR) from soil properties, partial least-squares regression (PLSR) using mid-infrared diffuse reflectance Fourier-transformed (DRIFT) spectra, and models using DRIFT spectra plus analytical pH values (DRIFT?+?pH), were compared with predicted log K(d?+?1) values. Apart from selenate (R(2) ?=?0.43), the DRIFT?+?pH calibrations resulted in marginally better models to predict log K(d?+?1) values (R(2) ?=?0.62-0.79), compared with those from PSLR-DRIFT (R(2) ?=?0.61-0.72) and MLR (R(2) ?=?0.54-0.79). The DRIFT?+?pH calibrations were applied to the prediction of log K(d?+?1) values in the remaining 4313 soils. An example map of predicted log K(d?+?1) values for added soluble MoO4(2-) in soils across Europe is presented. The DRIFT?+?pH PLSR models provided a rapid and inexpensive tool to assess the risk of mobility and potential availability of boric acid and selected oxoanions in European soils. For these models to be used in the prediction of log K(d?+?1) values in soils globally, additional research will be needed to determine if soil variability is accounted on the calibration. PMID:25476926

  6. Histogram Analysis of Apparent Diffusion Coefficients for Occult Tonsil Cancer in Patients with Cervical Nodal Metastasis from an Unknown Primary Site at Presentation.

    PubMed

    Choi, Young Jun; Lee, Jeong Hyun; Kim, Hye Ok; Kim, Dae Yoon; Yoon, Ra Gyoung; Cho, So Hyun; Koh, Myeong Ju; Kim, Namkug; Kim, Sang Yoon; Baek, Jung Hwan

    2016-01-01

    Purpose To explore the added value of histogram analysis of apparent diffusion coefficient (ADC) values over magnetic resonance (MR) imaging and fluorine 18 ((18)F) fluorodeoxyglucose (FDG) positron emission tomography (PET)/computed tomography (CT) for the detection of occult palatine tonsil squamous cell carcinoma (SCC) in patients with cervical nodal metastasis from a cancer of an unknown primary site. Materials and Methods The institutional review board approved this retrospective study, and the requirement for informed consent was waived. Differences in the bimodal histogram parameters of the ADC values were assessed among occult palatine tonsil SCC (n = 19), overt palatine tonsil SCC (n = 20), and normal palatine tonsils (n = 20). One-way analysis of variance was used to analyze differences among the three groups. Receiver operating characteristic curve analysis was used to determine the best differentiating parameters. The increased sensitivity of histogram analysis over MR imaging and (18)F-FDG PET/CT for the detection of occult palatine tonsil SCC was evaluated as added value. Results Histogram analysis showed statistically significant differences in the mean, standard deviation, and 50th and 90th percentile ADC values among the three groups (P < .0045). Occult palatine tonsil SCC had a significantly higher standard deviation for the overall curves, mean and standard deviation of the higher curves, and 90th percentile ADC value, compared with normal palatine tonsils (P < .0167). Receiver operating characteristic curve analysis showed that the standard deviation of the overall curve best delineated occult palatine tonsil SCC from normal palatine tonsils, with a sensitivity of 78.9% (15 of 19 patients) and a specificity of 60% (12 of 20 patients). The added value of ADC histogram analysis was 52.6% over MR imaging alone and 15.8% over combined conventional MR imaging and (18)F-FDG PET/CT. Conclusion Adding ADC histogram analysis to conventional MR imaging can improve the detection sensitivity for occult palatine tonsil SCC in patients with a cervical nodal metastasis originating from a cancer of an unknown primary site. (©) RSNA, 2015. PMID:26115452

  7. Resonance zones and quasi-linear diffusion coefficients for radiation belt energetic electron interaction with oblique chorus waves in the Dungey magnetosphere

    SciTech Connect

    Shi Run; Ni, Binbin; Gu Xudong; Zhao Zhengyu; Zhou Chen

    2012-07-15

    The resonance regions for resonant interactions of radiation belt electrons with obliquely propagating whistler-mode chorus waves are investigated in detail in the Dungey magnetic fields that are parameterized by the intensity of uniform southward interplanetary magnetic field (IMF) Bz or, equivalently, by the values of D=(M/B{sub z,0}){sup 1/3} (where M is the magnetic moment of the dipole and B{sub z,0} is the uniform southward IMF normal to the dipole's equatorial plane). Adoption of background magnetic field model can considerably modify the determination of resonance regions. Compared to the results for the case of D = 50 (very close to the dipole field), the latitudinal coverage of resonance regions for 200 keV electrons interacting with chorus waves tends to become narrower for smaller D-values, regardless of equatorial pitch angle, resonance harmonics, and wave normal angle. In contrast, resonance regions for 1 MeV electrons tend to have very similar spatial lengths along the field line for various Dungey magnetic field models but cover different magnetic field intervals, indicative of a strong dependence on electron energy. For any given magnetic field line, the resonance regions where chorus-electron resonant interactions can take place rely closely on equatorial pitch angle, resonance harmonics, and kinetic energy. The resonance regions tend to cover broader latitudinal ranges for smaller equatorial pitch angles, higher resonance harmonics, and lower electron energies, consistent with the results in Ni and Summers [Phys. Plasmas 17, 042902, 042903 (2010)]. Calculations of quasi-linear bounce-averaged diffusion coefficients for radiation belt electrons due to nightside chorus waves indicate that the resultant scattering rates differ from using different Dungey magnetic field models, demonstrating a strong dependence of wave-induced electron scattering effect on the adoption of magnetic field model. Our results suggest that resonant wave-particle interaction processes should be implemented into a sophisticated, accurate global magnetic field model to pursue comprehensive and complete models of radiation belt electron dynamics.

  8. Quantificaion of ion diffusion in gallium arsenide-based spintronic Light-Emitting Diode devices using time-of-flight secondary ion mass spectrometry

    NASA Astrophysics Data System (ADS)

    Cogswell, Jeffrey Ryan

    Depth profiling using Secondary Ion Mass Spectrometry (SIMS) is a direct method to measure diffusion of atomic or molecular species that have migrated distances of nanometers/micrometers in a specific material. For this research, the diffusion of Mn, sequentially Ga ions, in Gallium Arsenide (GaAs)-based spin Light Emitting Diode (LED) devices is studied by quantitative Time-of-Flight (ToF) SIMS. The goal is to prove conclusively the driving force and mechanism behind Mn diffusion in GaAs by quantifying the diffusion of these ions in each device. Previous work has identified two competing processes for the movement of Mn in GaAs: diffusion and phase separation. The process is dependent on the temperature the sample is exposed to, either by post-annealing, or during the molecular beam epitaxy (MBE) growth process. The hypothesis is that Manganese Arsenide (MnAs) is thermodynamically more stable than randomly distributed Mn ions in GaAs, and that by annealing at a certain temperature, a pure MnAs layer can be produced from a GaMnAs layer in a working spin LED device. Secondly, the spin efficiencies will be measured and the difference will be related to the formation of a pure MnAs layer. The first chapter of this dissertation discusses the history of spintronic devices, including details on the established methods for characterization, the importance for potential application to the semiconductor industry, and the requirements for the full implementation of spintronic devices in modern-day computers. MnAs and GaMnAs devices are studied, their preparation and properties are described, and the study's experimental design is covered in the latter part of Chapter 1. Chapter 2 includes a review of diffusion in semiconductors, including the types of diffusion, mechanisms they follow, and the different established experimental methods for studying diffusion. The later sections include summaries of Mn diffusion and previous studies investigating Mn diffusion in different materials. They describe the preliminary annealing experiments and the reasons behind choosing an annealing temperature of 250°C for this research, along with adjustments to the experimental plan and the reasons behind them. The second portion of this research is described in Chapters 3 and 4. This involves detailing the conversion of the x-axis from time to depth (Chapter 3) and the y-axis from intensity to concentration (Chapter 4) for the quantification of the ToF-SIMS depth profiles. Chapter 4 also combines both axes and details the conclusions from the research. To change the x-axis required the consideration that relatively thin layers (less than 100nm) of the different materials complicated direct comparison of pre- and post-annealed depth profiles. Instability in the current of the sputtering ion guns and the effects of annealing at different temperatures are common for SIMS depth profiling. The thin layers of the working spin LED led to problems and the establishment of new procedures for the correct conversion to depth. A quantitative SIMS depth profile has the y-axis in concentration of a particular atom per cubic centimeter (atoms/cm3). To change the original y-axis from signal intensity requires the establishment of relative sensitivity factors (RSFs). This chapter details the reasons for choosing each relative sensitivity factor (RSF) used for potential conversion of the y-axis. The specific RSF values and their %Relative Standard Deviation (%RSD) are 1.38x1023 +/-5.4% (atoms/cm3) for Mn in MnAs, 4.58x1023 +/-3.86% (atoms/cm3) for Mn in Al0.15Ga0.85As, and 2.98x1022 +/-9.56% (atoms/cm3) for Ga in MnAs. It was determined that no significant Mn diffusion was occurring in these devices at an annealing temperature of 250°C. From the quantitative depth profiles of Ga in the MnAs layer there was a 25.5% increase of the Ga concentration after the device was annealed at 250°C +/- 1°C for 1 hour.

  9. Single ion dynamics in molten sodium bromide

    NASA Astrophysics Data System (ADS)

    Alcaraz, O.; Demmel, F.; Trullas, J.

    2014-12-01

    We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential.

  10. Single ion dynamics in molten sodium bromide.

    PubMed

    Alcaraz, O; Demmel, F; Trullas, J

    2014-12-28

    We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential. PMID:25554168

  11. Single ion dynamics in molten sodium bromide

    SciTech Connect

    Alcaraz, O.; Trullas, J.; Demmel, F.

    2014-12-28

    We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential.

  12. Coarse-Grained Simulation of Ion Diffusion in Polymer Melts: Effect of Physical Crosslinking and Finite Concentration

    NASA Astrophysics Data System (ADS)

    Wang, Zhen-Gang; Yamamoto, Umi

    2015-03-01

    We present a coarse-grained simulation framework to study long-time dynamics of lithium ions in unentangled polymer melts. Effects of strong cation-monomer binding are modelled by formation of reversible bonds, and monomer-specific binding features enter via bond lifetime and coordination number, which can be estimated from atomistic simulations. Two competing mechanisms control the cation transport: successive replacement of dynamic bonds, and motion of the ``branched'' polymer cluster formed by a cation. Either channel can dominate the long-time diffusion depending on chain lengths and/or the bond lifetime relative to the Rouse time. At high concentrations, cations crosslink the polymers into a transient network, which significantly slows down the relaxation of the polymers, resulting in the non-monotonic dependence of ion conductivity on concentration, in qualitative agreement with experiment.

  13. In situ study of mass transfer in aqueous solutions under high pressures via Raman spectroscopy: A new method for the determination of diffusion coefficients of methane in water near hydrate formation conditions

    USGS Publications Warehouse

    Lu, W.J.; Chou, I.-Ming; Burruss, R.C.; Yang, M.Z.

    2006-01-01

    A new method was developed for in situ study of the diffusive transfer of methane in aqueous solution under high pressures near hydrate formation conditions within an optical capillary cell. Time-dependent Raman spectra of the solution at several different spots along the one-dimensional diffusion path were collected and thus the varying composition profile of the solution was monitored. Diffusion coefficients were estimated by the least squares method based on the variations in methane concentration data in space and time in the cell. The measured diffusion coefficients of methane in water at the liquid (L)-vapor (V) stable region and L-V metastable region are close to previously reported values determined at lower pressure and similar temperature. This in situ monitoring method was demonstrated to be suitable for the study of mass transfer in aqueous solution under high pressure and at various temperature conditions and will be applied to the study of nucleation and dissolution kinetics of methane hydrate in a hydrate-water system where the interaction of methane and water would be more complicated than that presented here for the L-V metastable condition. ?? 2006 Society for Applied Spectroscopy.

  14. Ion and Electron Transport in an Nstar-derivative Ion Thruster. Revised

    NASA Technical Reports Server (NTRS)

    Foster, John E.

    2001-01-01

    Diffusion of electrons and ions to anode surfaces between the magnetic cusps of a NASA Solar Electric Propulsion Technology Application Readiness ion thruster has been characterized. Ion flux measurements were made at the anode and at the screen grid electrode. The measurements indicated that the average ion current density at the anode and at the screen grid were approximately equal. Additionally, it was found that the electron flux to the anode between cusps is best described by the classical cross-field diffusion coefficient.

  15. Inter-cusp Ion and Electron Transport in a Nstar-derivative Ion Thruster

    NASA Technical Reports Server (NTRS)

    Foster, John E.

    2001-01-01

    Diffusion of electrons and ions to anode surfaces between the magnetic cusps of a NASA Solar Electric Propulsion Technology Application Readiness ion thruster has been characterized. Ion flux measurements were made at the anode and at the screen grid electrode. The measurements indicated that the average ion current density at the anode and at the screen grid were approximately equal. Additionally, it was found that the electron flux to the anode between cusps is best described by the classical cross-field diffusion coefficient.

  16. Transient enhanced diffusion and deactivation of ion-implanted As in strained Si

    NASA Astrophysics Data System (ADS)

    Dilliway, G. D. M.; Smith, A. J.; Hamilton, J. J.; Benson, J.; Xu, Lu; McNally, P. J.; Cooke, G.; Kheyrandish, H.; Cowern, N. E. B.

    2005-08-01

    First results on the effects of strain on transient enhanced diffusion and deactivation of As-implanted ultrashallow junctions are presented. A significant effect of strain on the magnitude and timescale of transient enhanced diffusion is observed, which is consistent with the stabilization of interstitial-type defects by tensile strain. Our results show no significant impact of strain on As electrical activity during the deactivation timescale accessed in this study.

  17. Diffusion in silicon isotope heterostructures

    SciTech Connect

    Silvestri, Hughes Howland

    2004-05-14

    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 {sup 28}Si enriched layers, enables the observation of {sup 30}Si self-diffusion from the natural layers into the {sup 28}Si 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 positively charged P species. Additionally, the temperature dependence of the diffusion coefficient of Si in Ge was measured over the temperature range of 550 C to 900 C using a buried Si layer in an epitaxially grown Ge layer.

  18. Ion-imprinted silica adsorbent modified diffusive gradients in thin films technique: Tool for speciation analysis of free lead species.

    PubMed

    Sui, Dian-Peng; Chen, Hua-Xia; Liu, Lin; Liu, Ming-Xuan; Huang, Cong-Cong; Fan, Hong-Tao

    2016-02-01

    A new diffusive gradients in thin films (DGT) device, using Pb(II) ion-imprinted silica (IIS) as the binding agents and commercial cellulose acetate dialysis (CAD) membrane as the diffusion layer (CAD/IIS-DGT), has been developed and evaluated for sampling and measurement of free Pb(II) species. The CAD/IIS-DGT devices were successfully applied to the measurement of free Pb(II) species in synthetic solutions, in natural freshwaters and in industrial wastewaters. The CAD/IIS-DGT provides reliable results over pH range of 4.5-6.5 and a wide range of ionic strength from 1.0×10(-3) to 0.7molL(-1). The concentrations of the free Pb(II) species in synthetic solution containing different concentrations of ligands measured by CAD/IIS-DGT showed a good agreement with the value measured by Pb-ion selective electrode. Field deployments of the CAD/IIS-DGT devices allowed accurate measurements of the concentrations of free Pb(II) species. PMID:26653451

  19. Diffusion of Ca and Mg in Calcite

    SciTech Connect

    Cygan, R.T.; Fisler, D.K.

    1999-02-10

    The self-diffusion of Ca and the tracer diffusion of Mg in calcite have been experimentally measured using isotopic tracers of {sup 25}Mg and {sup 44}Ca. Natural single crystals of calcite were coated with a thermally-sputtered oxide thin film and then annealed in a CO{sub 2} gas at one atmosphere total pressure and temperatures from 550 to 800 C. Diffusion coefficient values were derived from the depth profiles obtained by ion microprobe analysis. The resultant activation energies for Mg tracer diffusion and Ca self-diffusion are respectively: E{sub a}(Mg) = 284 {+-} 74 kJ/mol and E{sub a}(Ca) = 271 {+-} 80 kJ/mol. For the temperature ranges in these experiments, the diffusion of Mg is faster than Ca. The results are generally consistent in magnitude with divalent cation diffusion rates obtained in previous studies and provide a means of interpreting the thermal histories of carbonate minerals, the mechanism of dolomitization, and other diffusion-controlled processes. The results indicate that cation diffusion in calcite is relatively slow and cations are the rate-limiting diffusing species for the deformation of calcite and carbonate rocks. Application of the calcite-dolomite geothermometer to metamorphic assemblages will be constrained by cation diffusion and cooling rates. The direct measurement of Mg tracer diffusion in calcite indicates that dolomitization is unlikely to be accomplished by Mg diffusion in the solid state but by a recrystallization process.

  20. Non-diffusive transport of suprathermal ions by intermittent turbulent structures

    NASA Astrophysics Data System (ADS)

    Furno, I.; Bovet, A.; Fasoli, A.; Gauthey, C.; Gustafson, K.; Ricci, P.; van Milligen, B. Ph

    2016-01-01

    We report on recent experimental, numerical and theoretical investigations of suprathermal ion transport and turbulent plasma dynamics in TORPEX. TORPEX is a toroidal device in which field-aligned blobs are intermittently generated and propagate across a confining magnetic field. Suprathermal ions are locally injected using a miniaturized source and detected using gridded energy analyzers. We show evidence for subdiffusive and superdiffusive transport of suprathermal ions, using an unprecedented combination of uniquely resolved three-dimensional measurements and first-principles numerical simulation. We present time-resolved measurements of suprathermal ion current fluctuations, which exhibit a clear causality relation with blobs, as revealed by a transfer entropy method for the superdiffusive case. This link is further investigated by using a conditional sampling technique, which allows resolving the cross-field dynamics of both blobs and the suprathermal ion beam, revealing that suprathermal ions experiencing superdiffusive transport are associated with bursty displacement events, resulting in highly intermittent time traces. This work links observations usually inaccessible in fusion devices and astrophysical plasmas, namely energy resolved three-dimensional time-averaged measurements, with Eulerian time-resolved measurements, which are often the only accessible measurements in such systems.

  1. Temporal Evolution of Parotid Volume and Parotid Apparent Diffusion Coefficient in Nasopharyngeal Carcinoma Patients Treated by Intensity-Modulated Radiotherapy Investigated by Magnetic Resonance Imaging: A Pilot Study

    PubMed Central

    Juan, Chun-Jung; Cheng, Cheng-Chieh; Chiu, Su-Chin; Jen, Yee-Min; Liu, Yi-Jui; Chiu, Hui-Chu; Kao, Hung-Wen; Wang, Chih-Wei; Chung, Hsiao-Wen; Huang, Guo-Shu; Hsu, Hsian-He

    2015-01-01

    Purpose To concurrently quantify the radiation-induced changes and temporal evolutions of parotid volume and parotid apparent diffusion coefficient (ADC) in nasopharyngeal carcinoma (NPC) patients treated by intensity-modulated radiotherapy by using magnetic resonance imaging (MRI). Materials and Methods A total of 11 NPC patients (9 men and 2 women; 48.7 ± 11.7 years, 22 parotid glands) were enrolled. Radiation dose, parotid sparing volume, severity of xerostomia, and radiation-to-MR interval (RMI) was recorded. MRI studies were acquired four times, including one before and three after radiotherapy. The parotid volume and the parotid ADC were measured. Statistical analysis was performed using SPSS and MedCalc. Bonferroni correction was applied for multiple comparisons. A P value less than 0.05 was considered as statistically significant. Results The parotid volume was 26.2 ± 8.0 cm3 before radiotherapy. The parotid ADC was 0.8 ± 0.15 × 10?3 mm2/sec before radiotherapy. The parotid glands received a radiation dose of 28.7 ± 4.1 Gy and a PSV of 44.1 ± 12.6%. The parotid volume was significantly smaller at MR stage 1 and stage 2 as compared to pre-RT stage (P < .005). The volume reduction ratio was 31.2 ± 13.0%, 26.1 ± 13.5%, and 17.1 ± 16.6% at stage 1, 2, and 3, respectively. The parotid ADC was significantly higher at all post-RT stages as compared to pre-RT stage reciprocally (P < .005 at stage 1 and 2, P < .05 at stage 3). The ADC increase ratio was 35.7 ± 17.4%, 27.0 ± 12.8%, and 20.2 ± 16.6% at stage 1, 2, and 3, respectively. The parotid ADC was negatively correlated to the parotid volume (R = -0.509; P < .001). The parotid ADC was positively associated with the radiation dose significantly (R2 = 0.212; P = .0001) and was negatively associated with RMI significantly (R2 = 0.203; P = .00096) significantly. Multiple regression analysis further showed that the post-RT parotid ADC was related to the radiation dose and RMI significantly (R2 = 0.3580; P < .0001). At MR stage 3, the parotid volume was negatively associated with the dry mouth grade significantly (R2 = 0.473; P < .0001), while the parotid ADC was positively associated with the dry mouth grade significantly (R2 = 0.288; P = .015). Conclusion Our pilot study successfully demonstrates the concurrent changes and temporal evolution of parotid volume and parotid ADC quantitatively in NPC patients treated by IMRT. Our results suggest that the reduction of parotid volume and increase of parotid ADC are dominated by the effect of acinar loss rather than edema at early to intermediate phases and the following recovery of parotid volume and ADC toward the baseline values might reflect the acinar regeneration of parotid glands. PMID:26323091

  2. Ions

    MedlinePLUS

    An ion is an atom or group of atoms that has an electric charge. Ions with a positive charge are called cations. Ions with a negative charge are called anions. Many normal substances exist in the body as ions. ...

  3. Nanochannel induced advection with reaction-diffusion dynamics of reacting ions leads to self-assembly of ordered cylindrical structures.

    PubMed

    Kiruthiga, J; Chatterji, Apratim

    2013-01-14

    We present a theoretical model, which elucidates the physical principles involved in the formation of very uniform CdS nanocylinders of different radii by combining the physics of flow, diffusion, self assembly, and aggregation of constituent particles. Very recent experiments report that when 0.1M solutions of CdCl(2) and Na(2)S were allowed to mix through some anodised aluminium oxide (AAO) nanochannels, one observes the growth of an array of CdS nano-cylinders on only one end of the AAO template [A. Varghese and S. Datta, Phys. Rev. E 85, 056104 (2012)]. These cylinders have a pore along the center of the cylinder but closed at one end. The reaction happens only in the Na(2)S chamber, and growth of cylinders of uniform size and shape continues as long as the supply of the reactant molecules (CdCl(2) and Na(2)S) is maintained. To try to understand the physics of the observed phenomenon, we propose a model where the Cd(+2) ions exit the AAO-nanochannel to enter Na(2)S chamber with a finite velocity; these ions then react with the diffusing S(-2) ions to form CdS, which then self assemble to form cylinders of uniform width and cross-section. The flow of Cd(+2) out of the AAO nano-channel is the key symmetry breaking feature, which facilitates the formation of uniform cylindrical structures of CdS instead of a CdS precipitate. Since our model does not crucially depend on the chemical details of the reaction, this mechanism can be extended to self-assemble other structures of relevance. PMID:23320719

  4. A finite element simulation on transient large deformation and mass diffusion in electrodes for lithium ion batteries

    NASA Astrophysics Data System (ADS)

    An, Yonghao; Jiang, Hanqing

    2013-10-01

    Lithium-ion batteries have attracted great deal of attention recently. Silicon is one of the most promising anode materials for high-performance lithium-ion batteries, due to its highest theoretical specific capacity. However, the short lifetime confined by mechanical failure in the silicon anode is now considered to be the biggest challenge in desired applications. High stress induced by the huge volume change due to lithium insertion/extraction is the main reason underlying this problem. Some theoretical models have been developed to address this issue. In order to properly implement these models, we develop a finite element based numerical method using a commercial software package, ABAQUS, as a platform at the continuum level to study fully coupled large deformation and mass diffusion problem. Using this method, large deformation, elasticity-plasticity of the electrodes, various spatial and temporal conditions, arbitrary geometry and dimension could be fulfilled. The interaction between anode and other components of the lithium ion batteries can also be studied as an integrated system. Several specific examples are presented to demonstrate the capability of this numerical platform.

  5. Ion Permeability of Artificial Membranes Evaluated by Diffusion Potential and Electrical Resistance Measurements

    ERIC Educational Resources Information Center

    Shlyonsky, Vadim

    2013-01-01

    In the present article, a novel model of artificial membranes that provides efficient assistance in teaching the origins of diffusion potentials is proposed. These membranes are made of polycarbonate filters fixed to 12-mm plastic rings and then saturated with a mixture of creosol and "n"-decane. The electrical resistance and potential…

  6. Provides all required energy level and rate coefficient data for specified low levels of an ion. The data set is complete for a low level population calculation. Specific level selective free

    E-print Network

    of an ion. The data set is complete for a low level population calculation. Specific level selective freeADF04 Provides all required energy level and rate coefficient data for specified low levels.STRIP.FORT(SSSUBL)' 'JETSHP.STRIP.FORT(SSSUBJ)' Formatted files to ADF04 specification : JETSHP.like.DATA

  7. Li ion diffusion mechanism in the crystalline electrolyte -Li3PO4

    E-print Network

    Holzwarth, Natalie

    battery3 Solid state electrolyte could be made very thin to overcome to the low ion- conductivity et al., Solid State Ionics 53-56, 647 (1992). 3. http://www.ms.ornl.gov/researchgroups/Functional/BatteryV)material kTEA e T K T / )( - = 1. B. Wang et al., J. of Solid State Chemistry 115, 313 (1995). 2. J. B. Bates

  8. Role of ions in thermal diffusion of DNA: Lattice Boltzmann based simulations

    NASA Astrophysics Data System (ADS)

    Hammack, Audrey; Rana, Daharsh; May, Karl; Bledsoe, Matthew; Kreft Pearce, Jennifer; Chen, Yeng-Long

    2008-11-01

    The Ludwig-Soret effect, the migrarion of a species as a consequence of a temperature gradient, has been a factor in the development of microfluidic laboratory instrumentation. In a system consisting of DNA in a buffered salt solution exposed to a temperature gradient in micro channels, it has previously been observed that DNA will migrate to the colder regions, yielding an irregular density profile. We present a computational model in order to quantify the motion of the particles and describe the causes of this migration. In this construct, the salt ions are modeled as charged point particles and DNA as charged beads connected by springs. The motions of particles is calculated by using a combination of Brownian dynamics and the lattice Boltzmann method. We observe that the salt are also affected by the temperature gradient, creating a density profile. By varying the number of ions, the charge of the ions and the length of the DNA chain, we observe that the accumulation of ions in the cold region enhances the migration of the DNA to those regions of the channel.

  9. Facilitated ion diffusion in multiscale porous particles: application in battery separators.

    PubMed

    Kim, Young Bum; Tran-Phu, Thanh; Kim, Min; Jung, Dae-Woong; Yi, Gi-Ra; Park, Jong Hyeok

    2015-03-01

    Polyethylene (PE) separators have been the most popular option for commercial Li-ion batteries because of their uniform pore size, high tensile strength, low cost, and electrochemical stability. Unfortunately, PE separators generally suffer from significant dimensional changes at high temperatures, which frequently results in serious safety problems. In this regard, the integration of inorganic nanoparticles with PE separators has been considered to be a promising approach. Here, inorganic nanoparticles with a hierarchical pore structure were coated on a conventional polymer separator. The resultant composite separator exhibited superior Li ion transportation compared with separators coated with mesopore-only nanoparticles or conventional nonporous nanoparticles. The mesopores and macropores act synergistically to improve the electrolyte uptake and ionic conductivity of the inorganic nanoparticles, while other positive aspects such as their thermal and mechanical properties are still maintained. PMID:25594365

  10. Model for collisional fast ion diffusion into Tokamak Fusion Test Reactor loss cone

    SciTech Connect

    Chang, C.S. |; Zweben, S.J.; Schivell, J.; Budny, R.; Scott, S.

    1994-08-01

    An analytic model is developed to estimate the classical pitch angle scattering loss of energetic fusion product ions into prompt loss orbits in a tokamak geometry. The result is applied to alpha particles produced by deutrium-tritium fusion reactions in a plasma condition relevant to Tokamak Fusion Test Reactor (TFTR). A poloidal angular distribution of collisional fast ion loss at the first wall is obtained and the numerical result from the TRANSP code is discussed. The present model includes the effect that the prompt loss boundary moves away from the slowing-down path due to reduction in banana thickness, which enables us to understand, for the first time. the dependence of the collisional loss rate on Z{sub eff}.

  11. Quantum diffusion

    E-print Network

    Roumen Tsekov

    2011-04-20

    Quantum diffusion is studied via dissipative Madelung hydrodynamics. Initially the wave packet spreads ballistically, than passes for an instant through normal diffusion and later tends asymptotically to a sub-diffusive law. It is shown that the apparent quantum diffusion coefficient is not a universal physical parameter since it depends on the initial wave packet preparation. The overdamped quantum diffusion of an electron in the field of a periodic potential is also investigated; in this case the wave packet spreads logarithmically in time. Thermo-quantum diffusion of heavier particles as hydrogen, deuterium and tritium atoms in periodic potentials is studied and a simple estimate of the tunneling effect is obtained in the frames of a quasi-equilibrium semiclassical approach. The effective thermo-quantum temperature is also discussed in relation to the known temperature dependence of muon diffusivity in solids.

  12. Efficient Reformulation of Solid Phase Diffusion in Electrochemical-Mechanical Coupled Models for Lithium-Ion Batteries: Effect of Intercalation Induced Stresses

    SciTech Connect

    De, S; Suthar, B; Rife, D; Sikha, G; Subramanian, VR

    2013-07-23

    Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms with an appropriate discretization or approximation for the solid phase diffusion within the electrode particle. One of the major difficulties in simulating Li-ion battery models is the need for simulating solid-phase diffusion in the second radial dimension r within the particle. It increases the complexity of the model as well as the computation time/cost to a great extent. This is Particularly true for the inclusion of pressure induced diffusion inside particles experiencing volume change. A computationally efficient representation for solid-phase diffusion is discussed in this paper. The operating condition has a significant effect on the validity, accuracy, and efficiency of various approximations for the solid-phase transport governed by pressure induced diffusion. This paper introduces efficient methods for solid phase reformulation - (1) parabolic profile approach and (2) a mixed order finite difference method for approximating/representing solid-phase concentration variations within the active materials of porous electrodes for macroscopic models for lithium-ion batteries. (C) 2013 The Electrochemical Society. All rights reserved.

  13. Is the surface oxygen exchange rate linked to bulk ion diffusivity in mixed conducting Ruddlesden-Popper phases?

    PubMed

    Tomkiewicz, Alex C; Tamimi, Mazin A; Huq, Ashfia; McIntosh, Steven

    2015-10-10

    The possible link between oxygen surface exchange rate and bulk oxygen anion diffusivity in mixed ionic and electronic conducting oxides is a topic of great interest and debate. While a large body of experimental evidence and theoretical analyses support a link, observed differences between bulk and surface composition of these materials are hard to reconcile with this observation. This is further compounded by potential problems with simultaneous measurement of both parameters. Here we utilize separate techniques, in situ neutron diffraction and pulsed isotopic surface exchange, to examine bulk ion mobility and surface oxygen exchange rates of three Ruddlesden-Popper phases, general form An-1ABnO3n+1, An-1ABnX3n+1; LaSrCo0.5Fe0.5O4-? (n = 1), La0.3Sr2.7CoFeO7-? (n = 2) and LaSr3Co1.5Fe1.5O10-? (n = 3). These measurements are complemented by surface composition determination via high sensitivity-low energy ion scattering. We observe a correlation between bulk ion mobility and surface exchange rate between materials. The surface exchange rates vary by more than one order of magnitude with high anion mobility in the bulk of an oxygen vacancy-rich n = 2 Ruddlesden-Popper material correlating with rapid oxygen exchange. This is in contrast with the similar surface exchange rates which we may expect due to similar surface compositions across all three samples. We conclude that experimental limitations lead to inherent convolution of surface and bulk rates, and that surface exchange steps are not likely to be rate limiting in oxygen incorporation. PMID:26206617

  14. Volume production of negative ions in the reflex type ion source

    SciTech Connect

    Jimbo, K.

    1982-01-01

    The production of negative hydrogen ions is investigated in the reflex-type negative ion source. The extracted negative hydrogen currents of 9.7 mA (100 mA/cm/sup 2/) for H/sup -/ and of 4.1 mA (42 mA/cm/sup 2/) for D/sup -/ are obtained continuously. The impurity is less then 1%. An isotope effect of negative ion production is observed. When anomalous diffusion in the positive column was found by Lehnert and Hoh (1960), it was pointed out that the large particle loss produced by anomalous diffusion is compensated by the large particle production inside the plasma, i.e., the plasma tries to maintain itself. The self-sustaining property of the plasma is applied to the reflex-type negative ion source. Anomalous diffusion was artificially encouraged by changing the radial electric field inside the reflex discharge. The apparent encouragement of negative ion diffusion by the increase of density fluctuation amplitude is observed. Twice as much negative ion current was obtained with the artificial encouragement as without. It is found from the quasilinear theory that the inwardly directed radial electric field destabilizes the plasma in the reflex-type ion source. The nonlinear theory based on Yoshikawa method (1962) is extended, and the anomalous diffusion coefficient in a weakly ionized plasma is obtained. The electrostatic sheath trap, which increases the confinement of negative ions in the reflex-type ion source, is also discussed.

  15. Collective ion diffusion and localized single particle dynamics in pyridinium-based ionic liquids.

    PubMed

    Burankova, Tatsiana; Hempelmann, Rolf; Wildes, Andrew; Embs, Jan P

    2014-12-11

    Quasielastic neutron scattering with polarized neutrons allows for an experimental separation of single-particle and collective processes, as contained in the incoherent and coherent scattering contributions. This technique was used to investigate the dynamical processes in the pyridinium-based ionic liquid 1-butylpyridinium bis(trifluoromethylsulfonyl)-imide. We observed two diffusion processes with different time scales. The slower diffusional process was present in both the coherent and the incoherent contribution, meaning that this process has at least a partial collective nature. The second faster localized process is only present in the incoherent scattering contribution. We conclude that it is a true single-particle process on a shorter time scale. PMID:25387035

  16. FRACTIONAL PEARSON DIFFUSIONS

    PubMed Central

    Leonenko, Nikolai N.; Meerschaert, Mark M.

    2013-01-01

    Pearson diffusions are governed by diffusion equations with polynomial coefficients. Fractional Pearson diffusions are governed by the corresponding time-fractional diffusion equation. They are useful for modeling sub-diffusive phenomena, caused by particle sticking and trapping. This paper provides explicit strong solutions for fractional Pearson diffusions, using spectral methods. It also presents stochastic solutions, using a non-Markovian inverse stable time change. PMID:23626377

  17. Determination of Thermal-Diffusivity Dependence on Temperature of YAG Single Crystals with Different Concentrations of Yb3+ and V3+ Doping Ions

    NASA Astrophysics Data System (ADS)

    Trefon-Radziejewska, D.; Bodzenta, J.; Ka?mierczak-Ba?ata, A.; ?ukasiewicz, T.

    2012-04-01

    Thermal diffusivities of pure and doped yttrium aluminum garnet single crystals were measured as a function of temperature. Samples doped with rare earth ions (3 at% and 25 at% of Yb 3+, and 0.8 at% and 2.1 at% of V 3+) were investigated in the temperature range from 34 °C to 300 °C. Determination of the thermal diffusivity was based on an analysis of propagation of a thermal wave in the sample. The frequency of the thermal wave was 100 mHz. A temperature disturbance connected with the thermal wave propagating in the sample was detected using the mirage effect. The results showed that the thermal diffusivity of all investigated samples decreases with an increase of sample temperature. A drop in the thermal diffusivity is more pronounced for pure and low-doped crystals.

  18. Measurement of Atomic Oxygen in Diffuse Aurora and Ion Density in the E-Region

    NASA Technical Reports Server (NTRS)

    Sharp, William E.

    1997-01-01

    An ion mass spectrometer (IMS) was refurbished, calibrated and supplied to the University of Colorado payload (Dr. Charles Barth, P.I.) which was launched from White Sands in September of 1993 as NASA 33.062. The nose cone failed to deploy and their were problems with the ACS so the mission was declared a failure. However, the door covering the IMS deployed and the instrument obtained data. The launch occurred shortly after a payload carrying solar x-ray detectors was launched. Thus a small portion of the Colorado payload science was salvaged; namely, the NO(+)/O2(+) ratio to compare with the measured x-ray flux. Figure I shows the NO(+) to O2(+) ratio vs. altitude. The behavior is typical of the E-region.

  19. Diffusion transport of negative ions through the interface between cryogenic liquids

    SciTech Connect

    Lebedeva, E. V.; Dyugaev, A. M.; Grigoriev, P. D.

    2010-04-15

    A theory of electron bubble transport through the interface between cryogenic liquids is developed based on a new approach to calculating the potential of interaction of a bubble with the interface. The theory is in good agreement with experiments on the electric-field dependence of the potential barrier near the interface between liquid {sup 4}He, {sup 3}He, and vacuum, as well as at the interface between {sup 3}He and {sup 4}He saturated solutions. It is found that the interaction potential dependence on the distance between the electron bubble and the interface is isotopically invariant to three versions of such an interface. The dependence of the lifetime of negative ions in {sup 4}He and {sup 3}He on the temperature and electric field has been determined using the Kramers theory.

  20. Contamination by slow diffusers in ion implantation processes: The examples of molybdenum and tungsten

    NASA Astrophysics Data System (ADS)

    Polignano, M. L.; Mica, I.; Barbarossa, F.; Galbiati, A.; Grasso, S.; Soncini, V.

    2015-08-01

    A procedure to measure molybdenum and tungsten contamination in implantation processes by DLTS (Deep Level Transient Spectroscopy) is defined and calibrated for the evaluation of molybdenum and tungsten contaminant dose. The obtained calibrations are used to study molybdenum contamination in BF2 implantations and tungsten contamination by sputtering from a previously contaminated wafer holder. In molybdenum-implanted samples, the molybdenum level located 0.3 eV above valence band is revealed only. In tungsten-implanted samples, two levels are revealed. One of these levels is the tungsten-related hole trap located 0.4 eV above valence band. The other level does not correspond to any tungsten-related level, however it is related to the presence of tungsten and to the sample preparation process. The SPV (Surface Photovoltage) measurement sensitivity to tungsten contamination was also tested, and it was found much lower than the DLTS sensitivity, due to the low tungsten diffusivity. This procedure was used to evaluate contamination in implantation processes. In BF2 implantations, in addition to molybdenum, tungsten contamination is found. Molybdenum and tungsten contamination is found in boron implantation too. The tungsten contamination induced by implantation in a previously contaminated implanter was quantified, and the efficiency of arsenic implantation as a decontamination process was tested. Finally, it was shown that TXRF (Total reflection X-ray Fluorescence) is much less sensitive than DLTS for monitoring tungsten contamination.