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1

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

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.

Ishwar Dutt; Rajeev K. Puri

2010-04-04

2

Diffusion coefficients of several aqueous alkanolamine solutions

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.

Snijder, E.D.; Riele, M.J.M. te; Versteeg, G.F.; Swaaij, W.P.M. van (Twente Univ. of Technology, Enschede (Netherlands). Dept. of Chemical Engineering)

1993-07-01

3

NASA Astrophysics Data System (ADS)

Diffusion coefficients of two mobile ions are computed from the conductivity variation with time of three In-rich chalcopyrite single crystals of the ABn-3Inn+1VI2n system (AB=Cu and Ag and VI=Se or Te). The coefficients have similar values in the three compounds, higher than in chalcopyrite compounds (ABInSe2) due to a higher number of (2VCu+InCu) defect pairs in the lattice. In each compound, the potential across the sample or the current intensity, Vm and I, can increase or decrease within time due to a change in the interface potential by the ion arrival, where the decrease could be explained by a charge decrease. Mobile ions arrive while others, with higher charge, should leave related to the formation or disappearance of (2VCu+InCu) defect pairs. Compositional measurements confirm the motion of Cu ions and In antisites, InCu, in the Cu sublattice. Therefore, these compounds are mixed ionic and electronic conductors, MIECs, with two mobile ions, where the electronic and ionic conductions are non-blocked and blocked in the metal/semiconductor interface respectively. An equivalent electrical circuit is proposed, extensible at MIECs with j mobile ions, where the interface potential is similar to the potential drop in the charge or discharge in the capacitor. The analysis of the total flux of ions due to diffusion, jdiff, and to the action of electrical field, jdrift, permits compute the number of ions, their diffusion coefficients and the change of the potential drop within time in the interface in compounds with several mobile ions. This electrical model is checked using the experimental data in the three single crystals in a computer program. To know different mobile ions in In-rich chalcopyrites and their diffusion coefficients will permit to understand and have mechanisms of control in solar cell fabrication based in chalcopyrite thin films.

Díaz, R.

2012-06-01

4

Diffusion and transport coefficients in synthetic opals

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.

Sofo, J. O. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, (8400) Bariloche RN, (Argentina)] [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, (8400) Bariloche RN, (Argentina); Mahan, G. D. [Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6030 (United States) [Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6030 (United States); Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200 (United States)

2000-07-15

5

Diffusion coefficients in leaflets of bilayer membranes

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 inter-leaflet friction. We also show that the diffusion coefficients diverge in the absence of coupling between the bilayer and solvents, even when the inter-leaflet friction is taken into account. In order to corroborate our theory, the effect of the inter-leaflet friction on the correlated diffusion is examined.

Kazuhiko Seki; Saurabh Mogre; Shigeyuki Komura

2014-02-05

6

The alpha-hemolysin (alphaHL) is a self-assembling exotoxin that binds to the membrane of a susceptible host cell and causes its death. Experimental studies show that electrically neutral beta-cyclodextrin (betaCD) can insert into the alphaHL channel and significantly increase its anion selectivity. To understand how betaCD can affect ion selectivity, molecular dynamics simulations and potential of mean force (PMF) calculations are carried out for different alphaHL channels with and without the betaCD adapter. A multiscale approach based on the generalized solvent boundary potential is used to reduce the size of the simulated system. The PMF profiles reveal that betaCD has no anion selectivity by itself but can increase the Cl(-) selectivity of the alphaHL channel when lodged into the pore lumen. Analysis shows that betaCD causes a partial desolvation of ions and affects the orientation of nearby charged residues. The ion selectivity appears to result from increased electrostatic interaction between the ion and the channel due to a reduction in dielectric shielding by the solvent. These observations suggest a reasonable explanation of the ion selectivity and provide important information for further ion channel modification. PMID:20041673

Luo, Yun; Egwolf, Bernhard; Walters, D Eric; Roux, Benoît

2010-01-21

7

Calculation of combined diffusion coefficients in SF6-Cu mixtures

NASA Astrophysics Data System (ADS)

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 SF6-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.

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

2014-10-01

8

Continuum estimate of the heavy quark momentum diffusion coefficient ?

NASA Astrophysics Data System (ADS)

Among quantities playing a central role in the theoretical interpretation of heavy ion collision experiments at RHIC and LHC are so-called transport coefficients. Out of those heavy quark diffusion coefficients play an important role e.g. for the analysis of the quenching of jets containing c or b quarks (D or B mesons) as observed at RHIC and LHC [1]. We report on a lattice investigation of heavy quark momentum diffusion within pure SU(3) plasma above the deconfinement transition with the quarks treated to leading order in the heavy mass expansion. We measure the relevant 'colour-electric' Euclidean correlator and based on several lattice spacings perform the continuum extrapolation. This extends our previous studies [2,3] progressing towards a removal of lattice artifacts and a physical interpretation of the results. We find that the correlation function clearly exceeds its perturbative counterpart which suggests that at temperatures just above the critical one, non-perturbative interactions felt by the heavy quarks are stronger than within the weak-coupling expansion. Using an Ansatz for the spectral function which includes NNLO perturbative contributions we were able to determine, for the first time, a continuum estimate for the heavy quark momentum diffusion coefficient.

Kaczmarek, O.

2014-11-01

9

Fricke gel diffusion coefficient measurements for applications in radiotherapy level dosimetry

NASA Astrophysics Data System (ADS)

In gel dosimetry applied to radiotherapy, the space-time corrections are necessary due to the diffusion of ions in the oxidized solution dosimetry. Consequently, methodologies are applied in order to determine diffusion coefficients corrected in space and time. Therefore, in this study the dosimetric solution Fricke Xylenol Gel (FXG) was modified and applied to two Gaussian and ISQR methodologies for comparison of the diffusion coefficients obtained. The results show that the FXG system can be modified for new applications in radiotherapy, and it may be corrected in space-time to the appropriate methodologies in the determination of diffusion coefficients.

de Oliveira, Lucas Nonato; de Almeida, Adelaide; Caldas, Linda V. E.

2014-05-01

10

Analytic Forms of the Perpendicular Diffusion Coefficient in NRMHD Turbulence

NASA Astrophysics Data System (ADS)

In the past different analytic limits for the perpendicular diffusion coefficient of energetic particles interacting with magnetic turbulence were discussed. These different limits or cases correspond to different transport modes describing how the particles are diffusing across the large-scale magnetic field. In the current paper we describe a new transport regime by considering the model of noisy reduced magnetohydrodynamic turbulence. We derive different analytic forms of the perpendicular diffusion coefficient, and while we do this, we focus on the aforementioned new transport mode. We show that for this turbulence model a small perpendicular diffusion coefficient can be obtained so that the latter diffusion coefficient is more than hundred times smaller than the parallel diffusion coefficient. This result is relevant to explain observations in the solar system where such small perpendicular diffusion coefficients have been reported.

Shalchi, A.

2015-02-01

11

Calculation and application of combined diffusion coefficients in thermal plasmas

NASA Astrophysics Data System (ADS)

The combined diffusion coefficient method is widely used to treat the mixing and demixing of different plasma gases and vapours in thermal plasmas, such as welding arcs and plasma jets. It greatly simplifies the treatment of diffusion for many gas mixtures without sacrificing accuracy. Here, three subjects that are important in the implementation of the combined diffusion coefficient method are considered. First, it is shown that different expressions for the combined diffusion coefficients, arising from different definitions for the stoichiometric coefficients that assign the electrons to the two gases, are equivalent. Second, an approach is presented for calculating certain partial differential terms in the combined temperature and pressure diffusion coefficients that can cause difficulties. Finally, a method for applying the combined diffusion coefficients in computational models, which typically require diffusion to be expressed in terms of mass fraction gradients, is given.

Murphy, Anthony B.

2014-03-01

12

Calculation and application of combined diffusion coefficients in thermal plasmas.

The combined diffusion coefficient method is widely used to treat the mixing and demixing of different plasma gases and vapours in thermal plasmas, such as welding arcs and plasma jets. It greatly simplifies the treatment of diffusion for many gas mixtures without sacrificing accuracy. Here, three subjects that are important in the implementation of the combined diffusion coefficient method are considered. First, it is shown that different expressions for the combined diffusion coefficients, arising from different definitions for the stoichiometric coefficients that assign the electrons to the two gases, are equivalent. Second, an approach is presented for calculating certain partial differential terms in the combined temperature and pressure diffusion coefficients that can cause difficulties. Finally, a method for applying the combined diffusion coefficients in computational models, which typically require diffusion to be expressed in terms of mass fraction gradients, is given. PMID:24603457

Murphy, Anthony B

2014-01-01

13

Calculation and application of combined diffusion coefficients in thermal plasmas

The combined diffusion coefficient method is widely used to treat the mixing and demixing of different plasma gases and vapours in thermal plasmas, such as welding arcs and plasma jets. It greatly simplifies the treatment of diffusion for many gas mixtures without sacrificing accuracy. Here, three subjects that are important in the implementation of the combined diffusion coefficient method are considered. First, it is shown that different expressions for the combined diffusion coefficients, arising from different definitions for the stoichiometric coefficients that assign the electrons to the two gases, are equivalent. Second, an approach is presented for calculating certain partial differential terms in the combined temperature and pressure diffusion coefficients that can cause difficulties. Finally, a method for applying the combined diffusion coefficients in computational models, which typically require diffusion to be expressed in terms of mass fraction gradients, is given. PMID:24603457

Murphy, Anthony B.

2014-01-01

14

Self-diffusion coefficients for chloride ion were measured as a function of chloride ion capacity in solutions of varying acdity using particles of hydrous ceric oxide heated at 50, 200 and 400°C. The measured self-diffusion coefficients are dependent only upon the total chloride ion capacity. At the same capacity, self-diffusion coefficients are almost the same for ceria particles heated at different

E. I. Shabana; I. M. El-Naggar; M. A. El-Absy

1992-01-01

15

Diffusion coefficient of three-dimensional Yukawa liquids

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.

Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U. [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)] [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)

2013-11-15

16

Determination of the zincate diffusion coefficient and its application to alkaline battery problems

NASA Technical Reports Server (NTRS)

The diffusion coefficient for the zincate ion at 24 C was found to be 9.9 x 10 to the -7th power sq cm/sec + or - 30% in 45% potassium hydroxide and 1.4 x 10 to the -7th power sq cm/sec + or - 25% in 40% sodium hydroxide. Comparison of these values with literature values at different potassium hydroxide concentrations show that the Stokes-Einstein equation is obeyed. The diffusion coefficient is characteristic of the zincate ion (not the cation) and independent of its concentration. Calculations with the measured value of the diffusion coefficient show that the zinc concentration in an alkaline zincate half-cell becomes uniform throughout in tens of hours by diffusion alone. Diffusion equations are derived which are applicable to finite-size chambers. Details and discussion of the experimental method are also given.

May, C. E.; Kautz, H. E.

1978-01-01

17

Temperature dependence of the diffusion coefficient of nanoparticles

NASA Astrophysics Data System (ADS)

The temperature dependence of the diffusion coefficient of nanoparticles in gases has been experimentally studied. It is established that this dependence significantly differs from that predicted by various correlations, in particular, by the Cunningham-Millikan-Davies correlation that is used as an instrumental basis for virtually all methods of measurement of the diffusion coefficient in aerosols.

Rudyak, V. Ya.; Dubtsov, S. N.; Baklanov, A. M.

2008-06-01

18

Diffusion coefficient in hydrogel under high-frequency ultrasound

Modulating hydrogel properties by external stimuli can be applied for drug delivery system. For example, ultrasound can enhance drug release from hydrogel by the mechanism which is not fully understood. We measured diffusion coefficient in hydrogel under high-frequency ultrasound to understand mass transport property. To estimate diffusion coefficient, FRAP (fluorescence recovery after photobleaching) technique was applied with time-lapse fluorescence microscopy

Akira Tsukamoto; Kei Tanaka; Tatsuya Kumata; Yoshiaki Watanabe; Shogo Miyata; Katsuko Furukawa; Takashi Ushida

2007-01-01

19

Improved diffusion coefficients generated from Monte Carlo codes

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)

Herman, B. R.; Forget, B.; Smith, K. [Massachusetts Institute of Technology, Department of Nuclear Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Aviles, B. N. [Knolls Atomic Power Laboratory, Bechtel Marine Propulsion Corporation, P.O. Box 1072, Schenectady, NY 12301-1072 (United States)

2013-07-01

20

NASA Astrophysics Data System (ADS)

Diseased tissue has different optical properties and dynamic behaviors from normal tissue, and this can be exploited for diagnostics and therapeutics. We present a model for simultaneously estimating the optical scattering coefficient and Brownian diffusion coefficient of superficial biological tissue. This theoretical model predicts that the U-quadratic distribution approximates the Lorentzian power spectrum due to the Brownian motion, when the frequency width of integration is much less than the power spectrum linewidth. Furthermore, it shows that the logarithmic intensity of all calculated wavelet frequencies is linearly dependent on the scattering coefficient and the standard deviation of the Doppler frequency shift is linearly dependent on the Brownian diffusion coefficient in the region of the single scattering length. An optical coherence tomography system was used to measure the optical scattering coefficient and the Brownian diffusion coefficient of phantoms. The results of our theoretical model are consistent with the experimental results. Thus, the method has the potential for diagnosis of diseases.

Li, Zhifang; Lin, Xiaona; Li, Hui; Chen, Wei R.

2013-06-01

21

Cyclic AMP Diffusion Coefficient in Frog Olfactory Cilia

Cyclic AMP (cAMP) is one of the intracellular messengers that mediate odorant signal transduction in vertebrate olfactory cilia. Therefore, the diffusion coefficient of cAMP in olfactory cilia is an important factor in the transduction of the odorous signal. We have employed the excised cilium preparation from the grass frog (Rana pipiens) to measure the cAMP diffusion coefficient. In this preparation

Chunhe Chen; Tadashi Nakamura; Yiannis Koutalos

1999-01-01

22

An investigation of the eddy heat-diffusion coefficient

AN INVESTIGATION OF THE -DDY HEAT-DIFFUSION COEFFICIENT A Thesi s by LARRY KENNETH GILCHRIST Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE August 1973... Major Subjects Meteorology AN INVESTIGATION OF THE EDDY HEAT-DIFFUSION COEFFICIENT A Thesis by LARRY KENNETH GILCHRIST Approved as to style and content by& / Chairman of Cossaittee) Head of Doper 't Ilmsber Member 2" August 1973 ABSTRACT...

Gilchrist, Larry Kenneth

1973-01-01

23

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. PMID:24765989

Morgan, Benjamin J; Madden, Paul A

2014-04-11

24

NASA Astrophysics Data System (ADS)

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.

Morgan, Benjamin J.; Madden, Paul A.

2014-04-01

25

Simple deterministic dynamical systems with fractal diffusion coefficients

We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional periodic array of scatterers in which point particles move from cell to cell as defined by a piecewise linear map. The microscopic chaotic scattering process of the map can be changed by a control parameter. This induces a parameter dependence for the macroscopic diffusion coefficient. We

R. Klages; J. R. Dorfman

1998-01-01

26

Simple deterministic dynamical systems with fractal diffusion coefficients

We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional array of scatterers with moving point particles. The particles move from one scatterer to the next according to a piecewise linear, expanding, deterministic map on unit intervals. The microscopic chaotic scattering process of the map can be changed by a control parameter. The macroscopic diffusion coefficient

R. Klages; J. R. Dorfman

1999-01-01

27

Calculation of self-diffusion coefficients in iron

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.

Zhang, Baohua, E-mail: zhangbh148@qq.com [Laboratory for High Temperature and High Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, Guizhou 550002, China and Institute for Study of the Earth's Interior, Okayama University, Misasa, Tottori-ken 682-0193 (Japan)] [Laboratory for High Temperature and High Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, Guizhou 550002, China and Institute for Study of the Earth's Interior, Okayama University, Misasa, Tottori-ken 682-0193 (Japan)

2014-01-15

28

Simple deterministic dynamical systems with fractal diffusion coefficients

NASA Astrophysics Data System (ADS)

We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional array of scatterers with moving point particles. The particles move from one scatterer to the next according to a piecewise linear, expanding, deterministic map on unit intervals. The microscopic chaotic scattering process of the map can be changed by a control parameter. The macroscopic diffusion coefficient for the moving particles is well defined and depends upon the control parameter. We calculate the diffusion coefficent and the largest eigenmodes of the system by using Markov partitions and by solving the eigenvalue problems of respective topological transition matrices. For different boundary conditions we find that the largest eigenmodes of the map match the ones of the simple phenomenological diffusion equation. Our main result is that the diffusion coefficient exhibits a fractal structure as a function of the control parameter. We provide qualitative and quantitative arguments to explain features of this fractal structure.

Klages, R.; Dorfman, J. R.

1999-05-01

29

Simple deterministic dynamical systems with fractal diffusion coefficients.

We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional array of scatterers with moving point particles. The particles move from one scatterer to the next according to a piecewise linear, expanding, deterministic map on unit intervals. The microscopic chaotic scattering process of the map can be changed by a control parameter. The macroscopic diffusion coefficient for the moving particles is well defined and depends upon the control parameter. We calculate the diffusion coefficent and the largest eigenmodes of the system by using Markov partitions and by solving the eigenvalue problems of respective topological transition matrices. For different boundary conditions we find that the largest eigenmodes of the map match the ones of the simple phenomenological diffusion equation. Our main result is that the diffusion coefficient exhibits a fractal structure as a function of the control parameter. We provide qualitative and quantitative arguments to explain features of this fractal structure. PMID:11969496

Klages, R; Dorfman, J R

1999-05-01

30

Study of diffusion coefficients of glasses under Zero-G

NASA Technical Reports Server (NTRS)

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.

Kinser, D. L.

1977-01-01

31

Diffusion coefficient in hydrogel under high-frequency ultrasound

NASA Astrophysics Data System (ADS)

Modulating hydrogel properties by external stimuli can be applied for drug delivery system. For example, ultrasound can enhance drug release from hydrogel by the mechanism which is not fully understood. We measured diffusion coefficient in hydrogel under high-frequency ultrasound to understand mass transport property. To estimate diffusion coefficient, FRAP (fluorescence recovery after photobleaching) technique was applied with time-lapse fluorescence microscopy and we analyzed fluorescence recovery after photobleaching of FITC-dextran (4˜40 kDa) which was fully fused in agarose gel (1˜3 %). As a result, diffusion coefficient was altered when agarose gel was sonicated by 1MHz ultrasound with 400kPa (peak-peak). We discussed several possible underlying mechanisms such as cavitation, heat and phase transition with extended experimental data.

Tsukamoto, Akira; Tanaka, Kei; Kumata, Tatsuya; Watanabe, Yoshiaki; Miyata, Shogo; Furukawa, Katsuko; Ushida, Takashi

2007-03-01

32

Diffusion of ions in sea water and in deep-sea sediments

The tracer-diffusion coefficient of ions in water, D j 0 , and in sea water, D j * , differ by no more than zero to 8 per cent. When sea water diffuses into a dilute solution of water, in order to maintain the electro-neutrality, the average diffusion coefficients of major cations become greater but of major anions smaller than

Yuan-Hui Li; Sandra Gregory

1974-01-01

33

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

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.

Surasree Mazumder; Trambak Bhattacharyya; Jan-e Alam

2013-01-24

34

Diffusion coefficients and particle transport in synthetic membrane channels

NASA Astrophysics Data System (ADS)

Diffusion in constrained geometries is paramount to transport across biological membranes and in mesoporous materials. Although the transported species vary from system to system, the underlying physical mechanisms are universal. However, there is an imbalance between theory and quantitative experimental model systems. We have recently introduced a new synthetic approach to mimic molecular diffusion based on colloidal particles, digital video microscopy, particle tracking, microfluidics and holographic optical tweezers. In this paper we report useful guidelines for the fabrication, handling and characterisation of the microfluidic chips and a study of diffusion coefficients, particle attempt and translocation rates through microfluidic channels with cross sections of different dimensions.

Pagliara, S.; Dettmer, S. L.; Misiunas, K.; Lea, L.; Tan, Y.; Keyser, U. F.

2014-12-01

35

The electron diffusion coefficient along the energy in bounded

The electron diffusion coefficient along the energy in bounded collisionless and weakly collisional discharge 5. Cathode region of a DC discharge 6. Conclusions #12;Introduction The characteristic electron energies in stationary gas discharges are fixed by the plasma maintenance condition on the level of several

Kaganovich, Igor

36

Does the photon-diffusion coefficient depend on absorption?

Does the photon-diffusion coefficient depend on absorption? T. Durduran and A. G. Yodh Department independent of absorption, i.e., D0 v/3 s . After presentation of the general theoretical arguments underlying this assertion, Monte Carlo simulations are performed and explicitly reveal that the absorption- independent

Boas, David

37

Simple deterministic dynamical systems with fractal diffusion coefficients

We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional periodic array of scatterers in which point particles move from cell to cell as defined by a piecewise linear map. The microscopic chaotic scattering process of the map can be changed by a control parameter. This induces a parameter dependence for the macroscopic diffusion coefficient. We calculate the diffusion coefficent and the largest eigenmodes of the system by using Markov partitions and by solving the eigenvalue problems of respective topological transition matrices. For different boundary conditions we find that the largest eigenmodes of the map match to the ones of the simple phenomenological diffusion equation. Our main result is that the difffusion coefficient exhibits a fractal structure by varying the system parameter. To understand the origin of this fractal structure, we give qualitative and quantitative arguments. These arguments relate the sequence of oscillations in the strength of the parameter-dependent diffusion coefficient to the microscopic coupling of the single scatterers which changes by varying the control parameter.

R. Klages; J. R. Dorfman

1998-07-10

38

Comparison of field-measured radon diffusion coefficients with laboratory-measured coefficients

Experiments were conducted to compare radon diffusion coefficients determined for 0.1-m depths of soils by a steady-state method in the laboratory and diffusion coefficients evaluated from radon fluxes through several-fold greater depths of the same soils covering uranium-mill tailings. The coefficients referred to diffusion in the total pore volume of the soils and are equivalent to values for the quantity, D/P, in the Generic Environmental Impact Statement on Uranium Milling prepared by the US Nuclear Regulatory Commission. Two soils were tested: a well-graded sand and an inorganic clay of low plasticity. For the flux evaluations, radon was collected by adsorption on charcoal following passive diffusion from the soil surface and also from air recirculating through an aluminum tent over the soil surface. An analysis of variance in the flux evaluations showed no significant difference between these two collection methods. Radon diffusion coefficients evaluated from field data were statistically indistinguishable, at the 95% confidence level, from those measured in the laboratory; however, the low precision of the field data prevented a sensitive validation of the laboratory measurements. From the field data, the coefficients were calculated to be 0.03 +- 0.03 cm/sup 2//s for the sand cover and 0.0036 +- 0.0004 cm/sup 2//s for the clay cover. The low precision in the coefficients evaluated from field data was attributed to high variation in radon flux with time and surface location at the field site.

Lepel, E.A.; Silker, W.B.; Thomas, V.W.; Kalkwarf, D.R.

1983-04-01

39

Optimal estimation of diffusion coefficients from single-particle trajectories

NASA Astrophysics Data System (ADS)

How does one optimally determine the diffusion coefficient of a diffusing particle from a single-time-lapse recorded trajectory of the particle? We answer this question with an explicit, unbiased, and practically optimal covariance-based estimator (CVE). This estimator is regression-free and is far superior to commonly used methods based on measured mean squared displacements. In experimentally relevant parameter ranges, it also outperforms the analytically intractable and computationally more demanding maximum likelihood estimator (MLE). For the case of diffusion on a flexible and fluctuating substrate, the CVE is biased by substrate motion. However, given some long time series and a substrate under some tension, an extended MLE can separate particle diffusion on the substrate from substrate motion in the laboratory frame. This provides benchmarks that allow removal of bias caused by substrate fluctuations in CVE. The resulting unbiased CVE is optimal also for short time series on a fluctuating substrate. We have applied our estimators to human 8-oxoguanine DNA glycolase proteins diffusing on flow-stretched DNA, a fluctuating substrate, and found that diffusion coefficients are severely overestimated if substrate fluctuations are not accounted for.

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

2014-02-01

40

Diffusion coefficients of two metastable states of the nitrogen molecule

NASA Astrophysics Data System (ADS)

Previous experiments of Ernest et al. (1986) showed the existence of a metastable state of the nitrogen molecule with a coefficient for diffusion through ground-state nitrogen of about one quarter of that of the well-known A 3? u+ state. Both states were populated by pre-breakdown discharges through pure nitrogen. This paper presents further results on the diffusion of metastable excited molecules through nitrogen. The effects of varying background gas number density N and the reduced electric field E/N were explored, and data were taken in two ionization chambers with two different cathode materials. Consistent results are obtained with the different chambers and cathodes. The characteristic times for the decay of metastable population density are independent of E/N but scale with 1/ N, consistent with the existence of two slowly diffusing metastable states of nitrogen. The values at 295 ± 4 K of the product DmN, where Dm is the metastable diffusion coefficient, are 551 ± 25 am -1s -1 ((5.51 ± 0.25) × 10 16cm -1s -1) for the first slowly diffusing state and 158 ± 17 am -1s -1 for the second. Both states show very small quenching in collisions with ground-state nitrogen molecules. The first state is identified as the A 3?u+ state. Far from having a small effect, the action of molecules in the second slowly diffusing state can dominate the ionization growth near breakdown.

Haydon, S. C.; Fewell, M. P.; Ernest, A. D.; Baldwin, M. J.

1996-05-01

41

The effects of deionization processes on meteor radar diffusion coefficients below 90 km

NASA Astrophysics Data System (ADS)

The decay times of VHF radar echoes from underdense meteor trails are reduced in the lower portions of the meteor region. This is a result of plasma neutralization initiated by the attachment of positive trail ions to neutral atmospheric molecules. Decreased echo decay times cause meteor radars to produce erroneously high estimates of the ambipolar diffusion coefficient at heights below 90 km, which affects temperature estimation techniques. Comparisons between colocated radars and satellite observations show that meteor radar estimates of diffusion coefficients are not consistent with estimates from the Aura Microwave Limb Sounder satellite instrument and that colocated radars operating at different frequencies estimate different values of the ambipolar diffusion coefficient for simultaneous detections of the same meteors. Loss of free electrons from meteor trails due to attachment to aerosols and chemical processes were numerically simulated and compared with observations to determine the specific mechanism responsible for low-altitude meteor trail plasma neutralization. It is shown that three-body attachment of positive metal ions significantly reduces meteor radar echo decay times at low altitudes compared to the case of diffusion only that atmospheric ozone plays little part in the evolution of low-altitude underdense meteor trails and that the effect of three-body attachment begins to exceed diffusion in echo decay times at a constant density surface.

Younger, J. P.; Lee, C. S.; Reid, I. M.; Vincent, R. A.; Kim, Y. H.; Murphy, D. J.

2014-08-01

42

Vertical eddy diffusion coefficient from the LANDSAT imagery

NASA Technical Reports Server (NTRS)

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.

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

1982-01-01

43

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

Zhou, Quanlin

44

Generalized method calculating the effective diffusion coefficient in periodic channels.

The method calculating the effective diffusion coefficient in an arbitrary periodic two-dimensional channel, presented in our previous paper [P. Kalinay, J. Chem. Phys. 141, 144101 (2014)], is generalized to 3D channels of cylindrical symmetry, as well as to 2D or 3D channels with particles driven by a constant longitudinal external driving force. The next possible extensions are also indicated. The former calculation was based on calculus in the complex plane, suitable for the stationary diffusion in 2D domains. The method is reformulated here using standard tools of functional analysis, enabling the generalization. PMID:25573552

Kalinay, Pavol

2015-01-01

45

The rotationally invariant trace\\/3 apparent diffusion coefficients (ADC) of N-acetyl aspartate (NAA), creatine and phosphocre- atine (tCr), and choline (Cho) were determined using a diffusion- weighted stimulated echo acquisition mode sequence a t3Ti n three separate human brain regions, namely the subcortical white matter, occipital gray matter, and frontal gray matter. The measurement of the mean diffusivity eliminates the depen-

Jacob Ellegood; Chris C. Hanstock; Christian Beaulieu

2005-01-01

46

Measurement of the transverse diffusion coefficient of charge in liquid xenon

Liquid xenon (LXe) is a very attractive material as a detection medium for ionization detectors due to its high density, high atomic number, and low energy required to produce electron-ion pairs. Therefore it has been used in several applications, like {\\gamma} detection or direct detection of dark matter. Now Subatech is working on the R & D of LXe Compton telescope for 3{\\gamma} medical imaging, which can make precise tridimensional localization of a ({\\beta}+, {\\gamma}) radioisotope emitter. The diffusion of charge carriers will directly affect the spatial resolution of LXe ionization signal. We will report how we measure the transverse diffusion coefficient for different electric field (0.5 ~ 1.2 kV/cm) by observing the spray of charge carriers on drift length varying until 12cm. With very-low-noise front-end electronics and complete Monte-Carlo simulation of the experiment, the values of transverse diffusion coefficient are measured precisely.

Chen, W -T; Cussonneau, J -P; Donnard, J; Duval, S; Mohamad-Hadi, A -F; Lamblin, J; Lemaire, O; Ray, P Le; Morteau, E; Oger, T; Scotto-Lavina, L; Stutzmann, J -S; Thers, D

2011-01-01

47

NASA Astrophysics Data System (ADS)

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.

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

2008-12-01

48

Multi-scale prediction of the effective chloride diffusion coefficient of concrete

The N-layered spherical inclusion theory is applied to develop a multi-scale model to predict the effective diffusion coefficient of chloride ion in concrete. The model treats concrete as four-phase composite materials consisting of matrix phase, aggregate phase, ITZ (interfacial transition zone) and their homogenization phase. With hardened cement pastes characterized by three parameters such as the porosity, tortuosity and constrictivity,

Guowen Sun; Yunsheng Zhang; Wei Sun; Zhiyong Liu; Caihui Wang

2011-01-01

49

Water sorption and diffusion coefficient through an experimental dental resin.

Polymeric composites have been widely used as dental restorative materials. A fundamental knowledge and understanding of the behavior of these materials in the oral cavity is essential to improve their properties and performance. In this paper we computed the data set of water absorption through an experimental dental resin blend using specimen discs of different thicknesses to estimate the diffusion coefficient. The resins were produced using Bisphenol A glycol dimethacrylate, Bisphenol A ethoxylated dimethacrylate and Triethylene glycol dimethacrylate monomers. The water sorption test method was based on International Standard ISO 4049 "Dentistry-Polymer-based filling materials". Results show a diffusion coefficient around 6.38 x 10(-8) cm(2)/s, within a variance of 0.01%, which is in good agreement with the values reported in the literature and represents a very suitable value. PMID:19693655

Costella, A M; Trochmann, J L; Oliveira, W S

2010-01-01

50

Measurement of the diffusion coefficient of sulfur hexafluoride in water

Sulfur hexafluoride has been widely used in field studies and laboratory experiments to develop a relationship between gas transfer and wind speed. The interpretation of the data from such studies requires the diffusion coefficient of SFâ (D{sub SF6}), which has not previously been measured. In this study, D{sub SF6} has been determined in pure water and in 35%NaCl over a

King. D. B; E. S. Saltzman

1995-01-01

51

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. PMID:21288593

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

2011-04-25

52

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.

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

2011-02-01

53

Concentration dependence of translational diffusion coefficients for globular proteins.

This investigation examines published results of traditional diffusion experiments on ovalbumin and bovine serum albumin to determine the extent to which assumed concentration independence of the translational diffusion coefficient is a reasonable approximation in the analysis of boundary spreading in sedimentation velocity experiments on proteins. Although significant positive concentration dependence of the diffusion coefficient (D) for both proteins is predicted by current theories, none has been detected in these experimental diffusion studies performed under the constraints of constant temperature and solvent chemical potential (those also pertinent to sedimentation velocity). Instead, the results are better described by the relatively minor concentration dependence predicted by considering solution viscosity to be an additional source of D-c dependence. Inasmuch as the predicted variation in D for solutions with concentrations below 10 mg mL(-1) is within the uncertainty of experimental estimates, these findings support use of the approximate solution of the Lamm equation developed by Fujita for the quantitative analysis of boundary spreading in sedimentation velocity experiments on proteins. PMID:25306977

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

2014-12-01

54

Diffusion coefficients of fluorescent organic molecules in inert gases

NASA Astrophysics Data System (ADS)

We use arrested-flow pulse broadening to measure the diffusion coefficients of four archetype organic semiconductors in two carrier gases, N2 and Ar, with a precision of 5%. The measurements are realized by the injection and transport of pulses of organic molecules in an organic vapor phase deposition chamber, followed by their detection using laser induced fluorescence that dynamically measures the organic concentration in the gas phase. Measurements show that the diffusivity of tris(8-hydroxyquinoline) aluminum (Alq3) in N2 and Ar varies as the square of the temperature and inversely with pressure over a large range of gas conditions. We show that classical Chapman-Enskog theory can be used to approximate the diffusivity with an accuracy that depends on the physical dimensions of the organic molecular species, with the most accurate predictions for spherical and rigid molecules such as Alq3.

Rolin, Cedric; Forrest, Stephen R.

2013-07-01

55

NASA Astrophysics Data System (ADS)

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 × 10-11 m2/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 × 10-13 m2/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.

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

2014-03-01

56

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.

Chowdhury, Mohammed Tareque, E-mail: mtareque@mail.tagen.tohoku.ac.jp; Takekawa, Reiji; Iwai, Yoshiki; Kuwata, Naoaki; Kawamura, Junichi [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1, Katahira, Aoba-ku Sendai 980-8577 (Japan)] [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1, Katahira, Aoba-ku Sendai 980-8577 (Japan)

2014-03-28

57

Chloride diffusion coefficient and gas permeability of concrete were experimentally determined. The relationship between them is discussed. Chloride diffusion coefficient was determined using saturated concrete by an accelerated electrical testing method. The chloride diffusion coefficient was found to be controlled by the water-to-cement ratio with about 2.2 times higher chloride diffusion coefficient for concrete with the water-to-cement ratio of 0.6

T. Sugiyama; T. W. Bremner; Y. Tsuji

1996-01-01

58

Radon diffusion coefficients in soils of varying moisture content

NASA Astrophysics Data System (ADS)

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.

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

2009-04-01

59

Diffusion coefficients of sulfate and methane in marine sediments: Influence of porosity

Tracer diffusion coefficients of sulfate and methane were determined in seawater ( D o ) and in sediments ( D s ). The diffusion coefficients in seawater (20 S) at 4°C were 0.56 ± 0.04 * 10 -5 cm 2 s -1 for sulfate and 0.87 ±0.10 * 10 -5 cm 2 s -1 for methane. The sediment diffusion coefficients

Niels Iversen; Bo Barker Jørgensen

1993-01-01

60

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

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.

Zhong, Linlin; Wang, Xiaohua, E-mail: xhw@mail.xjtu.edu.cn; Rong, Mingzhe, E-mail: mzrong@mail.xjtu.edu.cn; Wu, Yi [State Key Laboratory of Electrical Insulation and Power Equipment, School of Electrical Engineering, Xi'an Jiaotong University, Xi'an 710049 (China); Murphy, Anthony B. [CSIRO Manufacturing Flagship, P.O. Box 218, Lindfield, NSW 2070 (Australia)

2014-10-15

61

Effective diffusion coefficient in 2D periodic channels

NASA Astrophysics Data System (ADS)

Calculation of the effective diffusion coefficient D(x), depending on the longitudinal coordinate x in 2D channels with periodically corrugated walls, is revisited. Instead of scaling the transverse lengths and applying the standard homogenization techniques, we propose an algorithm based on formulation of the problem in the complex plane. A simple model is solved to explain the behavior of D(x) in the channels with short periods L, observed by Brownian simulations of Dagdug et al. [J. Chem. Phys. 133, 034707 (2010)].

Kalinay, Pavol

2014-10-01

62

Chemical oxygen diffusion coefficient measurement by conductivity relaxation--correlation between J. P., Grenier J. C., Loup J. P. ABSTRACT Chemical oxygen diusion coecient Â¯(D)was measured the oxygen partial pressure in the surrounding atmosphere of the sample. The consequent evolution

Paris-Sud XI, UniversitÃ© de

63

NASA Astrophysics Data System (ADS)

In this work we study the transport properties of non-interacting overdamped particles, moving on tilted disordered potentials, subjected to Gaussian white noise. We give exact formulas for the drift and diffusion coefficients for the case of random potentials resulting from the interaction of a particle with a "random polymer". In our model the polymer is made up, by means of some stochastic process, of monomers that can be taken from a finite or countable infinite set of possible monomer types. For the case of uncorrelated random polymers we found that the diffusion coefficient exhibits a non-monotonous behavior as a function of the noise intensity. Particularly interesting is the fact that the relative diffusivity becomes optimal at a finite temperature, a behavior which is reminiscent of stochastic resonance. We explain this effect as an interplay between the deterministic and noisy dynamics of the system. We also show that this behavior of the diffusion coefficient at a finite temperature is more pronounced for the case of weakly disordered potentials. We test our findings by means of numerical simulations of the corresponding Langevin dynamics of an ensemble of noninteracting overdamped particles diffusing on uncorrelated random potentials.

Salgado-García, R.

2014-09-01

64

The gradient of Bicoid (Bcd) is key for the establishment of the anterior-posterior axis in Drosophila embryos. The gradient properties are compatible with the SDD model in which Bcd is synthesized at the anterior pole and then diffuses into the embryo and is degraded with a characteristic time. Within this model, the Bcd diffusion coefficient is critical to set the timescale of gradient formation. This coefficient has been measured using two optical techniques, Fluorescence Recovery After Photobleaching (FRAP) and Fluorescence Correlation Spectroscopy (FCS), obtaining estimates in which the FCS value is an order of magnitude larger than the FRAP one. This discrepancy raises the following questions: which estimate is "correct''; what is the reason for the disparity; and can the SDD model explain Bcd gradient formation within the experimentally observed times? In this paper, we use a simple biophysical model in which Bcd diffuses and interacts with binding sites to show that both the FRAP and the FCS estimates may be correct and compatible with the observed timescale of gradient formation. The discrepancy arises from the fact that FCS and FRAP report on different effective (concentration dependent) diffusion coefficients, one of which describes the spreading rate of the individual Bcd molecules (the messengers) and the other one that of their concentration (the message). The latter is the one that is more relevant for the gradient establishment and is compatible with its formation within the experimentally observed times. PMID:24901638

Sigaut, Lorena; Pearson, John E.; Colman-Lerner, Alejandro; Ponce Dawson, Silvina

2014-01-01

65

The gradient of Bicoid (Bcd) is key for the establishment of the anterior-posterior axis in Drosophila embryos. The gradient properties are compatible with the SDD model in which Bcd is synthesized at the anterior pole and then diffuses into the embryo and is degraded with a characteristic time. Within this model, the Bcd diffusion coefficient is critical to set the timescale of gradient formation. This coefficient has been measured using two optical techniques, Fluorescence Recovery After Photobleaching (FRAP) and Fluorescence Correlation Spectroscopy (FCS), obtaining estimates in which the FCS value is an order of magnitude larger than the FRAP one. This discrepancy raises the following questions: which estimate is "correct''; what is the reason for the disparity; and can the SDD model explain Bcd gradient formation within the experimentally observed times? In this paper, we use a simple biophysical model in which Bcd diffuses and interacts with binding sites to show that both the FRAP and the FCS estimates may be correct and compatible with the observed timescale of gradient formation. The discrepancy arises from the fact that FCS and FRAP report on different effective (concentration dependent) diffusion coefficients, one of which describes the spreading rate of the individual Bcd molecules (the messengers) and the other one that of their concentration (the message). The latter is the one that is more relevant for the gradient establishment and is compatible with its formation within the experimentally observed times. PMID:24901638

Sigaut, Lorena; Pearson, John E; Colman-Lerner, Alejandro; Ponce Dawson, Silvina

2014-06-01

66

Continuum Absorption Coefficient of Atoms and Ions

NASA Technical Reports Server (NTRS)

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.

Armaly, B. F.

1979-01-01

67

Diffusion coefficients of substituted benzenes at high dilution in water

Among the three basic environmental compartments of soil, water, and air, the latter two form the major abiotic dispersion pathways of chemicals, and in unsaturated soil zones it is the pore water that governs vertical leaching of contaminants to the groundwater by advection and diffusion phenomena. The interdiffusion coefficient D{sub aw} of 6 hydrophobic benzene derivatives (a = chlorobenzene, 1,2-dichlorobenzene, 1,4-dichlorobenzene, bromobenzene, 1,2-dibromobenzene, 1,4-dibromobenzene) in aqueous solution (w) at 250 C is measured at different concentrations below 10{sup {minus}5} solute mole fractions using the Taylor dispersion technique. On the basis of the experimental uncertainty around 4%, a distinct concentration dependence is not recognizable. Analysis of the interdiffusion coefficients with the Stokes-Einstein equation shows greater D{sub aw}{sup {infinity}} values than expected from the limit of a complete solute-solvent contact stick limit, and in addition substance-specific deviations. Chemical engineering correlations for D{sub aq}{sup {infinity}} presently available from the literature yield unsatisfactory results for this class of predominantly hydrophobic compounds.

Gabler, T.; Paschke, A.; Schueuermann, G. [Centre for Environmental Research, Leipzig (Germany). Dept. of Chemical Ecotoxicology] [Centre for Environmental Research, Leipzig (Germany). Dept. of Chemical Ecotoxicology

1996-01-01

68

Measurement of the diffusion coefficient of sulfur hexafluoride in water

Sulfur hexafluoride has been widely used in field studies and laboratory experiments to develop a relationship between gas transfer and wind speed. The interpretation of the data from such studies requires the diffusion coefficient of SF{sub 6} (D{sub SF6}), which has not previously been measured. In this study, D{sub SF6} has been determined in pure water and in 35%NaCl over a temperature range of 5-25{degrees}C. The measurements were made using a continuous-flow diffusion cell where SF{sub 6} flows beneath an agar gel membrane while helium flows above the gel. The experimental data for pure water yielded the following equation: D{sub SF6}=0.029 exp ({minus}19.3/RT, where R is the gas constant and T is temperature in kelvins). Measurements of D{sub SF6} in 35% NaCl were not significantly different from the pure water values. On the basis of this data, the authors estimate the Schmidt numbers for seawater over the temperature range 5-25{degrees}C to be Sc=3016.1{minus}172.00t+4.4996t{sup 2}{minus}0.047965t{sup 3}, where t is temperature in degrees Celsius. 31 refs., 3 figs., 2 tabs.

King. D.B.; Saltzman, E.S. [Univ. of Miami, FL (United States)] [Univ. of Miami, FL (United States)

1995-04-15

69

Diffusion coefficient and radial gradient of galactic cosmic rays

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...

Modzelewska, Renata

2015-01-01

70

Deep impurity levels and diffusion coefficient of manganese in silicon

NASA Astrophysics Data System (ADS)

Manganese-related deep levels in n- and p-type silicon have been investigated by deep level transient spectroscopy and Hall effect. Two electron traps of Ec-(0.12±0.01) eV and Ec-(0.41±0.01) eV, and a hole trap of Ev+(0.32±0.01) eV are found in manganese-doped silicon. The energy levels of these traps correspond to the transitions between four charge states (Mn-, Mn0, Mn+, Mn++ ) of interstitial manganese. An additional donor-type electron trap of Ec-(0.51±0.02) eV is observed in the n-type samples, and the trap can be tentatively assigned to substitutional manganese. Furthermore, an electron trap of Ec-(0.50±0.02) eV is observed for n+p junction samples diffused with manganese in boron-doped p-type silicon. The trap is attributed to the manganese-boron complex, which is formed owing to the pairing reaction of interstitial manganese and substitutional boron. From the investigation of the pairing reaction, the diffusion coefficient DMn of interstitial manganese is determined in the temperature range 14-90 °C. It can be represented by the expression DMn=2.4×10-3 exp(-0.72/kT)cm2 s-1.

Nakashima, H.; Hashimoto, K.

1991-02-01

71

The phonon diffusiveness coefficient D related to scattering of phonons by point mass defects embedded in cubic crystalline media can be written as product of diffusiveness coefficient for a corresponding reference isotropic medium Dis, and the dimensionless coefficient\\u000a

T. Paszkiewicz; M. Pruchnik

1998-01-01

72

Diffusive Acceleration of Ions at Interplanetary Shocks

Heliospheric shocks are excellent systems for testing theories of particle acceleration in their environs. These generally fall into two classes: (1) interplanetary shocks that are linear in their ion acceleration characteristics, with the non-thermal ions serving as test particles, and (2) non-linear systems such as the Earth's bow shock and the solar wind termination shock, where the accelerated ions strongly influence the magnetohydrodynamic structure of the shock. This paper explores the modelling of diffusive acceleration at a particular interplanetary shock, with an emphasis on explaining in situ measurements of ion distribution functions. The observational data for this event was acquired on day 292 of 1991 by the Ulysses mission. The modeling is performed using a well-known kinetic Monte Carlo simulation, which has yielded good agreement with observations at several heliospheric shocks, as have other theoretical techniques, namely hybrid plasma simulations, and numerical solution of the diffusion-convection equation. In this theory/data comparison, it is demonstrated that diffusive acceleration theory can, to first order, successfully account for both the proton distribution data near the shock, and the observation of energetic protons farther upstream of this interplanetary shock than lower energy pick-up protons, using a single turbulence parameter. The principal conclusion is that diffusive acceleration of inflowing upstream ions can model this pick-up ion-rich event without the invoking any seed pre-acceleration mechanism, though this investigation does not rule out the action of such pre-acceleration.

Matthew G. Baring; Errol J. Summerlin

2005-06-08

73

Friction Coefficient for Deep-Inelastic Heavy-Ion Collisions

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.

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

1996-10-01

74

Sodium ion diffusion in Al2O3: a distinct perspective compared with lithium ion diffusion.

Surface coating of active materials has been one of the most effective strategies to mitigate undesirable side reactions and thereby improve the overall battery performance. In this direction, aluminum oxide (Al2O3) is one of the most widely adopted coating materials due to its easy synthesis and low material cost. Nevertheless, the effect of Al2O3 coating on carrier ion diffusion has been investigated mainly for Li ion batteries, and the corresponding understanding for emerging Na ion batteries is currently missing. Using ab initio molecular dynamics calculations, herein, we first find that, unlike lithiation, sodiation of Al2O3 is thermodynamically unfavorable. Nonetheless, there can still exist a threshold in the Na ion content in Al2O3 before further diffusion into the adjacent active material, delivering a new insight that both thermodynamics and kinetics should be taken into account to describe ionic diffusion in any material media. Furthermore, Na ion diffusivity in NaxAl2O3 turns out to be much higher than Li ion diffusivity in LixAl2O3, a result opposite to the conventional stereotype based on the atomic radius consideration. While hopping between the O-rich trapping sites via an Na-O bond breaking/making process is identified as the main Na ion diffusion mechanism, the weaker Na-O bond strength than the Li-O counterpart turns out to be the origin of the superior diffusivity of Na ions. PMID:25286155

Jung, Sung Chul; Kim, Hyung-Jin; Choi, Jang Wook; Han, Young-Kyu

2014-11-12

75

Steels, 20CrMnTi and 30CrMnSi, were nitrocarburized at 600 C and 650 C for 5h with rare earths (RE). The experimental results show that the rare earth elements can diffuse into the treated surface layer, in which the concentration profiles of the rare earth La were measured by chemical analysis and ion probe. The diffusion coefficient and activation energy of La have been calculated based on the experimental results mentioned above. The rare earth atoms diffuse mainly along the grain boundaries according to thermodynamic theory and analysis of the calculated data.

Mufu, Y.; Qun, L.; Teqiang, Z.; Yang, C.; Fayi, Z.; Zhiru, L. [Harbin Inst. of Tech. (China)

1995-12-31

76

Coordinate-dependent diffusion coefficients: Decay rate in open quantum systems

Based on a master equation for the reduced density matrix of an open quantum collective system, the influence of coordinate-dependent microscopical diffusion coefficients on the decay rate from a metastable state is treated. For various frictions and temperatures larger than a crossover temperature, the quasistationary decay rates obtained with the coordinate-dependent microscopical set of diffusion coefficients are compared with those obtained with the coordinate-independent microscopical set of diffusion coefficients and coordinate-independent and -dependent phenomenological sets of diffusion coefficients. Neglecting the coordinate dependence of diffusion coefficients, one can strongly overestimate or underestimate the decay rate at low temperature. The coordinate-dependent phenomenological diffusion coefficient in momentum are shown to be suitable for applications.

Sargsyan, V. V. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Institut fuer Theoretische Physik der Justus-Liebig-Universitaet, D-35392 Giessen (Germany); Palchikov, Yu. V.; Antonenko, N. V. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Kanokov, Z. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); National University, 700174 Tashkent (Uzbekistan); Adamian, G. G. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Institute of Nuclear Physics, 702132 Tashkent (Uzbekistan)

2007-06-15

77

Solute diffusion in ?-Zr: Rutherford backscattering and secondary-ion mass spectrometry study

Substitutional diffusion coefficients D of Hf, Ta and Pb have been measured ?- Zr single crystals and the diffusion profiles analysed by Rutherford backscattering (Hf, Ta and Pb) and secondary-ion mass spectrometry (Hf). Measurements were made either parallel (D?) or perpendicular (D?) to the specimen c axis. Although the main study is concerned with the influence of Fe on the

G. M. Hood; T. Laursen; J. A. Jackman; R. Belec; R. J. Schultz; J. L. Whitton

1991-01-01

78

Apparent diffusion coefficient of intracranial germ cell tumors.

The role of diffusion weighted imaging and apparent diffusion coefficient in intracranial germ cell tumors has not been fully elucidated. The aim of this study was to evaluate whether the ADC correlates with the histologic subtypes of germ cell tumors. We also aimed to investigate whether the ADC values can predict treatment response. The authors retrospectively analyzed the ADC values of the enhancing and solid regions of germ cell tumors. The absolute ADC values and the normalized ADC values were compared among different histologic diagnoses. The ADC values before and after the first course of chemotherapy were also compared between the different prognostic groups. Ten patients were included in the study. The median age at diagnosis was 9.3 years (range 5.3-13.8 years). There were four patients with germinoma and six patients with nongerminomatous germ cell tumor (NGGCT) including five mixed germ cell tumors and one immature teratoma. The mean absolute and normalized ADC values (×10(-3) mm(2)/s) were significantly lower in germinomas [0.835 ± 0.065 (standard deviation) and 1.11 ± 0.096, respectively] than in NGGCTs (1.271 ± 0.145 and 1.703 ± 0.223, respectively) (p = 0.01). The ADC values before and after the first course of chemotherapy were available in four patients. The ADC value after the first chemotherapy had a tendency to increase more in patients who eventually demonstrated complete response with chemotherapy than in patients who required second-look surgery. Assessment of the ADC values of germ cell tumors is considered to facilitate differentiation of histological subtypes of germ cell tumors. Evaluation of the ADC may also be useful for predicting treatment response. PMID:25413617

Ogiwara, Hideki; Tsutsumi, Yoshiyuki; Matsuoka, Kentarou; Kiyotani, Chikako; Terashima, Keita; Morota, Nobuhito

2014-11-21

79

Apparent diffusion coefficient threshold for delineation of ischemic core

Background MRI-based selection of patients for acute stroke interventions requires rapid accurate estimation of the infarct core on diffusion-weighted MRI (DWI). Typically used manual methods to delineate DWI lesions are subjective and time-consuming. These limitations would be overcome by a fully automated method that can rapidly and objectively delineate the ischemic core. An automated method would require pre-defined criteria to identify the ischemic core. Aim To determine Apparent Diffusion Coefficient (ADC) based criteria that can be implemented in a fully automated software solution for identification of the ischemic core. Methods Imaging data from patients enrolled in the DEFUSE study who had early revascularization following tPA treatment, was included. The patients’ baseline DWI and 30-day FLAIR lesions were manually delineated after co-registration. Parts of the DWI lesion that corresponded with 30-day infarct were considered ischemic core, whereas parts that corresponded with normal brain parenchyma at 30 days were considered non-core. The optimal ADC threshold to discriminate core from non-core voxels was determined by voxel-based ROC analysis using the Youden index. Results 51045 DWI positive voxels from 14 patients who met eligibility criteria were analyzed. The mean DWI lesion volume was 24(±23) mL. Of this, 18(±22) mL was ischemic core and 3(±5) mL was non-core. The remainder corresponded to pre-existing gliosis, CSF, or was lost to post-infarct atrophy. The ADC of core was lower than that of non-core voxels (p<0.0001). The optimal threshold for identification of ischemic core was an ADC ?620 ×10?6 mm2/s (sensitivity 69% and specificity 78%). Conclusions Our data suggests the ischemic core can be identified with an absolute ADC threshold. This threshold can be implemented in image analysis software for fully automated segmentation of the ischemic core. PMID:23802548

Purushotham, Archana; Campbell, Bruce C. V.; Straka, Matus; Mlynash, Michael; Olivot, Jean-Marc; Bammer, Roland; Kemp, Stephanie M.; Albers, Gregory W.; Lansberg, Maarten G.

2013-01-01

80

We explore perpendicular diffusion based on the unified nonlinear transport theory. We derive simple analytical forms for the perpendicular mean free path and investigate the influence of different model spectra. We show that for cases where the field line random walk is normal diffusive, the perpendicular diffusion coefficient consists of only two transport regimes. Details of the spectral shape are less important, especially those of the inertial range. Only the macroscopic properties of the turbulence spectrum control the perpendicular diffusion coefficient. Simple formulae for the perpendicular diffusion coefficient are derived which can easily be implemented in solar modulation or shock acceleration codes.

Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2013-09-01

81

Controlling chloride ions diffusion in concrete

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

Zeng, Lunwu; Song, Runxia

2013-01-01

82

Controlling chloride ions diffusion in concrete.

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

Zeng, Lunwu; Song, Runxia

2013-01-01

83

Unsteady mass transfer in the continuous phase around axisymmetric drops of revolution at high Peclet numbers has been theoretically studied. The liquid is a binary system, having a variable diffusion coefficient, which depends on the solute concentration. The solution to the problem was obtained by extending the theory of Favelukis and Mudunuri, developed for a constant diffusion coefficient liquid. The

Moshe Favelukis

2008-01-01

84

Modeling Infinite Dilution and Fickian Diffusion Coefficients of Carbon Dioxide in Water

solute polarizability is close to that of CO2, such as CH4, C2H6, C3H8, and H2S. Moreover, we presentModeling Infinite Dilution and Fickian Diffusion Coefficients of Carbon Dioxide in Water J. Wambui infinite dilution diffusion coefficients for carbon dioxide and water mixtures. The model takes

Firoozabadi, Abbas

85

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...

86

We establish a stochastic maximum principle in optimal control of a general class of degenerate diffusion processes with global Lipschitz coefficients, generalizing the existing results on stochastic control of diffusion processes. We use distributional derivatives of the coefficients and the Bouleau Hirsh flow property, in order to define the adjoint process on an extension of the initial probability space.

Bahlali, Khaled [UTV, UFR Sciences (France)], E-mail: bahlali@univ-tln.fr; Djehiche, Boualem [Royal Institute of Technology, Division of Mathematical Statistics, Department of Mathematics (Sweden)], E-mail: boualem@math.kth.se; Mezerdi, Brahim [University of Biskra, Laboratory of Applied Mathematics (Algeria)], E-mail: bmezerdi@yahoo.fr

2007-12-15

87

Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR

Self-Diffusion Coefficients of Methane or Ethane Mixtures with Hydrocarbons at High Pressure by NMR of Science and Technology, N-7034 Trondheim, Norway Self-diffusion coefficients have been measured of the NMR-PGSE technique. The estimated accuracy of the measurements is (5%. Experimental self

Dysthe, Dag Kristian

88

Ion diffusion at interfaces in hot plasmas

There are many laboratory applications in which it is important to know how fast two hot, ionized materials mix across an initially sharp interface. The speed of this process is regulated by the interdiffusion coefficient for the species involved. In a previous work, a theoretical method for calculating the interdiffusion coefficient in a Binary Ionic Mixture (classical ions in a uniform, neutralizing background) was described and found to give excellent agreement with Molecular Dynamics estimates. The purpose of this report is to show how these results may be applied to a model of the plasma interface, including electric field effects, to give a good description of the mixing across it.

Boercker, D.B.; Warren, K.; Haggin, G.

1986-04-01

89

NASA Astrophysics Data System (ADS)

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.

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

2014-04-01

90

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

NASA Astrophysics Data System (ADS)

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.

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

2014-05-01

91

A comparison of ambipolar diffusion coefficients in meteor trains using VHF radar and UV lidar

In this paper we present the first comparative estimations of ionic diffusion rates for sporadic meteor trains near the mesopause made using VHF radar and UV Rayleigh lidar observations. In both cases we initially assumed that the meteor trains dissipate primarily through ambipolar diffusion. For the radar data, the diffusion coefficient within the meteor train was determined from the decay

Phillip B. Chilson; Peter Czechowsky; Gerhard Schmidt

1996-01-01

92

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...

93

Directional diffusion coefficients of solar protons inside and outside the bow shock.

NASA Technical Reports Server (NTRS)

The directional diffusion coefficients of low-energy (greater than or equal to 0.3 MeV) solar protons inside and outside the bow shock are examined during the solar flare event of Jan. 24, 1969. The data are derived from simultaneous observations obtained by Explorer 33 inside the magnetosheath and by Explorer 35 in the interplanetary medium. Although the gross properties of the spin-averaged intensities on a diffusion-type plot appear to be the same in both media, the directional intensities show significant variations. It is shown that directional intensities of low-energy protons can be described reasonably well by anisotropic diffusion with an associated diffusion coefficient. Directional diffusion coefficients are found to differ by a factor of as much as three among different directions in space, and from the spin-averaged diffusion coefficient. This suggests that anisotropic diffusion does indeed take place and that so called 'isotropic' diffusion coefficients derived in the past from spin-averaged intensities may actually be directional diffusion coefficients in cases where substantial anisotropies (greater than 50%) exist.

Verzariu, P.; Krimigis, S. M.

1973-01-01

94

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

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.

Kammerer, Catherine [University of Central Florida, Orlando; Kulkarni, Nagraj S [ORNL; Warmack, Robert J Bruce [ORNL; Perry, Kelly A [ORNL; Belova, Irina [University of Newcastle, NSW, Australia; Murch, Prof. Graeme [University of Newcastle, NSW, Australia; Sohn, Yong Ho [University of Central Florida

2013-08-01

95

On measurement of thermal diffusion coefficients in multicomponent mixtures

mixtures. Such measurements have not yet been reported in the literature. Â© 2005 American Institute of Physics. DOI: 10.1063/1.1829033 I. INTRODUCTION Thermal diffusion has been studied extensively to pro are the thermogravita- tional column2,3 and the optical methods.4 Simple diffusion cells have also been used in the past

Firoozabadi, Abbas

96

While pediatric diffuse intrinsic pontine gliomas (DIPG) remain fatal, recent data have shown subgroups with distinct molecular biology and clinical behavior. We hypothesized that diffusion-weighted MRI can be used as a prognostic marker to stratify DIPG subsets with distinct clinical behavior. Apparent diffusion coefficient (ADC) values derived from diffusion-weighted MRI were computed in 20 consecutive children with treatment-naïve DIPG tumors. The median ADC for the cohort was used to stratify the tumors into low and high ADC groups. Survival, gender, therapy, and potential steroid effects were compared between the ADC groups. Median age at diagnosis was 6.6 (range 2.3-13.2) years, with median follow-up seven (range 1-36) months. There were 14 boys and six girls. Seventeen patients received radiotherapy, five received chemotherapy, and six underwent cerebrospinal fluid diversion. The median ADC of 1,295 × 10(-6) mm(2)/s for the cohort partitioned tumors into low or high diffusion groups, which had distinct median survivals of 3 and 13 months, respectively (log-rank p < 0.001). Low ADC tumors were found only in boys, whereas high ADC tumors were found in both boys and girls. Available tissue specimens in three low ADC tumors demonstrated high-grade histology, whereas one high ADC tumor demonstrated low-grade histology with a histone H3.1 K27M mutation and high-grade metastatic lesion at autopsy. ADC derived from diffusion-weighted MRI may identify prognostically distinct subgroups of pediatric DIPG. PMID:24522717

Lober, Robert M; Cho, Yoon-Jae; Tang, Yujie; Barnes, Patrick D; Edwards, Michael S; Vogel, Hannes; Fisher, Paul G; Monje, Michelle; Yeom, Kristen W

2014-03-01

97

NASA Astrophysics Data System (ADS)

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.

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

2007-10-01

98

Assessment of diffusion coefficient of glycerol into the skin ex vivo

NASA Astrophysics Data System (ADS)

In present study we have considered diffusion of immersion agent into the skin through thermally pretreated stratum corneum solving the corresponding diffusion problem. Algorithm of refractive index of interstitial liquid and diffusion coefficient of immersion agent into biotissue estimations at a creation of lattice-like pattern of localized thermal damage islets in the stratum corneum, was develop. Theoretical model which sufficiently describes the influence of immersion agents on skin optical properties was presented. The diffusion coefficient of glycerol into pig skin ex vivo at creating a lattice of islets of damage in the stratum corneum is 0.84+/-0.08 ?m2/s.

Gavrilova, Anna A.; Pravdin, Alexander B.; Tuchin, Valery V.; Altshuler, Gregory B.; Yaroslavsky, Ilya V.

2007-05-01

99

Mass diffusion coefficients of CO(2)/brine mixtures under thermodynamic conditions of deep saline aquifers have been investigated by molecular simulation. The objective of this work is to provide estimates of the diffusion coefficient of CO(2) in salty water to compensate the lack of experimental data on this property. We analyzed the influence of temperature, CO(2) concentration,and salinity on the diffusion coefficient, the rotational diffusion, as well as the electrical conductivity. We observe an increase of the mass diffusion coefficient with the temperature, but no clear dependence is identified with the salinity or with the CO(2) mole fraction, if the system is overall dilute. In this case, we notice an important dispersion on the values of the diffusion coefficient which impairs any conclusive statement about the effect of the gas concentration on the mobility of CO(2) molecules. Rotational relaxation times for water and CO(2) increase by decreasing temperature or increasing the salt concentration. We propose a correlation for the self-diffusion coefficient of CO(2) in terms of the rotational relaxation time which can ultimately be used to estimate the mutual diffusion coefficient of CO(2) in brine. The electrical conductivity of the CO(2)-brine mixtures was also calculated under different thermodynamic conditions. Electrical conductivity tends to increase with the temperature and salt concentration. However, we do not observe any influence of this property with the CO(2) concentration at the studied regimes. Our results give a first evaluation of the variation of the CO(2)-brine mass diffusion coefficient, rotational relaxation times, and electrical conductivity under the thermodynamic conditions typically encountered in deep saline aquifers. PMID:22292779

Garcia-Ratés, Miquel; de Hemptinne, Jean-Charles; Bonet Avalos, Josep; Nieto-Draghi, Carlos

2012-03-01

100

From free to effective diffusion coefficients in fluorescence correlation spectroscopy experiments

NASA Astrophysics Data System (ADS)

Diffusion is one of the main transport processes that occur inside cells determining the spatial and time distribution of relevant action molecules. In most cases these molecules not only diffuse but also interact with others as they get transported. When these interactions occur faster than diffusion the resulting transport can be characterized by “effective diffusion coefficients” that depend on both the reaction rates and the “free” diffusion coefficients. Fluorescence correlation spectroscopy (FCS) gives information on effective rather than free diffusion coefficients under this condition. In the present paper we investigate what coefficients can be drawn from FCS experiments for a wide range of values of the ratio of reaction to diffusion time scales, using different fitting functions. We find that the effective coefficients can be inferred with relatively small errors even when the condition of fast reactions does not exactly hold. Since the diffusion time scale depends on the size of the observation volume and the reaction time scale depends on concentrations, we also discuss how by changing either one or the other property one can switch between the two limits and extract more information on the system under study.

Ipiña, Emiliano Pérez; Dawson, Silvina Ponce

2013-02-01

101

The diffusion of water into dentin adhesive polymers and leaching of unpolymerized monomer from the adhesive are linked to their mechanical softening and hydrolytic degradation. Therefore, diffusion coefficient data are critical for the mechanical design of these polymeric adhesives. In this study, diffusion coefficients of water and leachables were obtained for sixteen methacrylate-based crosslinked polymers using absorption experiments. The experimental mass change data was interpreted using numerical solution of the two-dimensional diffusion equations. The calculated diffusion coefficients varied from 1.05 × 10?8 cm2/sec (co-monomer TMTMA) to 3.15 × 10?8 cm2/sec (co-monomer T4EGDMA). Correlation of the diffusion coefficients with crosslink density and hydrophilicity showed an inverse trend (R2 = 0.41). The correlation of diffusion coefficient with crosslink density and hydrophilicity are closer for molecules differing by simple repeat units (R2 = 0.95). These differences in the trends reveal mechanisms of interaction of the diffusing water with the polymer structure. PMID:22430592

Parthasarathy, Ranganathan; Misra, Anil; Park, Jonggu; Ye, Qiang; Spencer, Paulette

2012-01-01

102

Relativistic diffusion and heavy-ion collisions

We study first- and second-order theories of relativistic diffusion coupled to hydrodynamics under the approximation, valid at midrapidity in the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (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 freeze-out occurs at a time when transient dynamics is still on and the memory of the initial state remains. There are observational consequences that we touch upon. In the first-order theory, and for initial conditions when the second-order theory mimics the first-order theory, one may be able to put a bound on the diffusion constant.

Bhalerao, Rajeev S.; Gupta, Sourendu [Department of Theoretical Physics, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)

2009-06-15

103

The intrinsic diffusion coefficients in a liquid GaGe alloy were determined using a novel method based on Fick’s first law. The mutual and self diffusion coefficients also were derived. The intrinsic diffusion coefficients of both components are similar to each other and so both components equally contribute to the mutual diffusion coefficient. Also, the values of the self diffusion coefficient

Toru Ujihara; Kozo Fujiwara; Gen Sazaki; Noritaka Usami; Kazuo Nakajima

2002-01-01

104

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.

Lai, C.C.; Tan, C.S. (National Tsing Hua Univ., Hsinchu (Taiwan, Province of China). Dept. of Chemical Engineering)

1995-02-01

105

Purpose To evaluate the correlation between apparent diffusion coefficient ( ADC apparent diffusion coefficient ) values and the Ki-67 labeling index for luminal-type (estrogen receptor-positive) breast cancer not otherwise specified ( NOS not otherwise specified ) diagnosed by means of biopsy. Materials and Methods The institutional review board approved this retrospective study, and the requirement for informed consent was waived. Between December 2009 and December 2012, 86 patients with 86 lesions with luminal-type invasive breast cancer NOS not otherwise specified underwent magnetic resonance imaging, including dynamic contrast material-enhanced imaging and diffusion-weighted imaging with b values of 0 and 1000 sec/mm(2). Conventional measurement of the minimum and mean ADC apparent diffusion coefficient s by placing regions of interest and histogram analysis of pixel-based ADC apparent diffusion coefficient data of the entire tumor were performed by two observers independently and correlated with the Ki-67 labeling index of surgical specimens. Results For the interobserver reliability, interclass correlation coefficients for all parameters with the exception of the minimum ADC apparent diffusion coefficient exceeded 0.8, indicating almost perfect agreement. The minimum ADC apparent diffusion coefficient and mean ADC apparent diffusion coefficient and the 25th, 50th, and 75th percentiles of the histograms showed negative correlations with the Ki-67 labeling index (r = -0.49, -0.55, -0.54, -0.53, and -0.48, respectively). Receiver operating characteristic curve analysis for the differential diagnosis between the high-proliferation (Ki-67 ? 14; n = 44) and low-proliferation (Ki-67 < 14; n = 42) groups revealed that the most effective threshold for the mean ADC apparent diffusion coefficient was lower than 1097 × 10(-6) mm(2)/sec, with sensitivity and specificity of 82% and 71%, respectively. The area under the receiver operating characteristic curve (AUC) was 0.81 for the mean ADC apparent diffusion coefficient . There were no significant differences in the AUC among the parameters. Conclusion Considering convenience for routine practice, the authors suggest that the mean ADC apparent diffusion coefficient of the conventional method would be practical to use for estimating the Ki-67 labeling index. © RSNA, 2014. PMID:25203132

Mori, Naoko; Ota, Hideki; Mugikura, Shunji; Takasawa, Chiaki; Ishida, Takanori; Watanabe, Gou; Tada, Hiroshi; Watanabe, Mika; Takase, Kei; Takahashi, Shoki

2015-01-01

106

Phenomenon of enhanced diffusion of lithium-ion in LiMn 2O 4 induced by electrochemical cycling

Lithium-ion diffusion in insertion-host materials is of significant interest because of its importance in improving the power density of lithium-ion batteries. In this study, the dependence of the chemical diffusion coefficient (D) of lithium-ion in spinel LiMn2O4 cathode material on electrochemical cycling has been investigated by the capacity intermittent titration technique (CITT). Results show that there are two minimum peaks

Xin-Cun Tang; Li-Qing Li; Bai-Yun Huang; Yue-Hui He

2006-01-01

107

NASA Astrophysics Data System (ADS)

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.

Dietrich, Olaf; Hubert, Alexander; Heiland, Sabine

2014-06-01

108

NASA Astrophysics Data System (ADS)

In the study, the averaging technique of diffusion coefficients in the two-dimensional nonlinear diffusive wave equation applied to the floodplain inundation is presented. As a method of solution, the splitting technique and the modified finite element method with linear shape functions are used. On the stage of spatial integration, it is often assumed that diffusion coefficient is constant over element and equal to its average value. However, the numerical experiments indicate that in the case of the flow over the dry floodplain with sudden changes in depths an inadequate averaging of these coefficients can lead to a non-physical solution or even to its instability. In the paper, the averaging techniques for estimation of diffusion coefficients were examined using the arithmetic, geometric, harmonic and the direction dependent means. The numerical tests were carried out for the flows over initially dry floodplain with varied elevation of bottom. It was shown that the averaging method based on the arithmetic mean with respect to the diffusion coefficients provides the satisfactory results in comparison to other techniques.

G?siorowski, Dariusz

2014-09-01

109

Intrinsic diffusion coefficients and the vacancy flow factor in Dilute Cu-Zn Alloys

NASA Astrophysics Data System (ADS)

Interdiffusion coefficients in copper-rich copper-zinc solid solutions containing up to 8 at. pct of Zn at 1168 K have been determined by Matano's analysis using semi-infinite diffusion couples consisting of pure copper and Cu-Zn alloys with Kirkendall markers. From the marker shift and Darken's relation, intrinsic diffusion coefficients, DZn and DCu, in the alloys containing 3.2 and 4.7 at. pct of Zn have been determined. Further, using thin plate couples, DZn and DCu in Cu alloys containing 0.9, 2.3, 3.5, and 4.6 at. pct of Zn at 1168 K have been determined by Heumann's method. The ratio of the intrinsic diffusion coefficients, DZn/DCu, has been found to be about two for all the compositions examined. Using the values of the intrinsic diffusion coefficient of copper at infinite dilution of zinc obtained by extrapolating the concentration dependence of DCu, and the self- and impurity diffusion coefficients in pure copper, the vacancy flow factor has been estimated to be - 0.22-0.15 +0.06 at 1168 K. By combining this value of the vacancy flow factor with the solute enhancement factor of solvent diffusion determined by Peterson and Rothman, the correlation factor for impurity diffusion of Zn in Cu at 1168 K has been evaluated to be 0.5, which is in good agreement with the value of 0.47 determined by Peterson and Rothman based on the isotope effect measurement.

Hoshino, Kazutomo; Iijima, Yoshiaki; Hirano, Ken-Ichi

1982-07-01

110

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

111

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

NASA Technical Reports Server (NTRS)

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.

Morales, Wilfredo

1993-01-01

112

LABORATORY MEASUREMENTS AND PREDICTIVE EQUATIONS FOR GAS DIFFUSION COEFFICIENT OF UNSATURATED SOILS

Molecular diffusion is an important mechanism for gas transport through soil covers placed over municipal dumps (from which bio-gas must not escape) and above acid generating mine tailings (where oxygen availability must be controlled). Gas flux through cover systems depends on the effective diffusion coefficient De of the cover materials. In this paper, the authors describe a laboratory procedure for

Mostafa Aachib

2002-01-01

113

Equations for determining Diffusion Coefficients in Liquid Systems by the Diaphragm Cell Technique

THE diaphragm-cell technique, first introduced by Northrop and Anson1, has been widely used as an experimental method of utilizing Fick's first law to obtain diffusion coefficients in liquids. The procedure is a simple one whereby diffusion takes place through a porous diaphragm separating two cells in which the respective liquid concentrations, initially different to provide a driving force or potential

F. A. L. Dullien

1960-01-01

114

The geochemistry of salt marshes: Sedimentary ion diffusion, sulfate reduction, and pyritization

Abstract-A series of seasonal cores was taken in a high marsh near the terminus of Delaware Bay, U.S.A. A seasonal harmonic,diffusion model was successfully fit to the concentration,profiles of chloride ion in the salt marsh,pore waters yielding a calculated sedimentary,diffusion coefficient. Virtually all other chemical,reactions within salt marsh,sediments,are directly linked to the rate and stoichiometry,of organic decomposition.,The rich organic input

C LORDIII; THOMAS M. CHURCH

1983-01-01

115

NITRIC ACID-AIR DIFFUSION COEFFICIENT: EXPERIMENTAL DETERMINATION

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...

116

Temperature-Dependent Diffusion Coefficients from ab initio Computations: Hydrogen in Nickel

The temperature-dependent mass diffusion coefficient is computed using transition state theory. Ab initio supercell phonon calculations of the entire system provide the attempt frequency, the activation enthalpy, and the activation entropy as a function of temperature. Effects due to thermal lattice expansion are included and found to be significant. Numerical results for the case of hydrogen in nickel demonstrate a strong temperature dependence of the migration enthalpy and entropy. Trapping in local minima along the diffusion path has a pronounced effect especially at low temperatures. The computed diffusion coefficients with and without trapping bracket the available experimental values over the entire temperature range between 0 and 1400 K.

E Wimmer; W Wolf; J Sticht; P Saxe; C Geller; R Najafabadi; G Young

2006-03-16

117

To evaluate the potential of Na-ion batteries, we contrast in this work the difference between Na-ion and Li-ion based intercalation chemistries in terms of three key battery properties—voltage, phase stability and diffusion ...

Ong, Shyue Ping

118

Sodium Ion Diffusion in Layered NaxCoO2

NASA Astrophysics Data System (ADS)

The temperature dependence of sodium ion diffusion coefficient (D) of NaxCoO2 is extensively investigated in the temperature range of 303?T?349 K using electrochemical impedance spectroscopy. The magnitude of D is found to be (0.7-1.9)×10-11 cm2/s (0.54?x?0.85) at 303 K, which is comparable to that of LiCoO2. The activation energy (EaD) of D gradually increases from 0.32 at x=0.54 to 0.51 eV at x=0.85. The activation energy (EaR) of charge-transfer resistance (Rct) also increases from 0.34 at x=0.54 to 0.59 eV at x=0.85. These behaviors are ascribed to an increase in potential barrier due to the decrease in interlayer distance (d).

Shibata, Takayuki; Kobayashi, Wataru; Moritomo, Yutaka

2013-09-01

119

The transport of gaseous compounds in soil occurs by gas diffusion, advection, and dispersion. These gas transport processes are controlled by the soil-gas diffusion coefficient (Dp), air permeability (ka) and soil-gas dispersion coefficient (DH), respectively. Among the three main gas transport parameters, the DH and how it is linked to soil types, moisture conditions and other gas transport parameters, are

S. Hamamoto; P. Moldrup; K. Kawamoto; T. Komatsu; D. E. Rolston

2009-01-01

120

Diffusion-weighted imaging (DWI) and apparent diffusion coefficient (ADC) mapping are functional magnetic resonance imaging techniques for detecting water diffusion. DWI and the ADC map were performed for intracranial lesions in two dogs. In necrotizing leukoencephalitis, cavitated lesions contained a hypointense center with a hyperintense periphery on DWI, and hyperintense signals on the ADC maps. In metastatic sarcoma, masses including a necrotic region were hypointense with DWI, and hyperintense on the ADC map with hyperintense perilesional edema on DWI and ADC map. Since DWI and ADC data reflect the altered water diffusion, they can provide additional information at the molecular level. PMID:24675836

Kim, Boeun; Yi, Kangjae; Jung, Sunyoung; Ji, Seoyeon; Choi, Mincheol

2014-01-01

121

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

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

Hikal, Walid M; Weeks, Brandon L

2014-07-01

122

Theoretical evaluation of diffusion coefficients of (Al2O3)n clusters in different bath gases

NASA Astrophysics Data System (ADS)

The binary diffusion coefficients of two low lying isomers of (Al2O3) n , n = 1...4, clusters in different bath gases, that most frequently met in the nature and in the technical applications: H2, N2, O2, CO, H2O as well as their self-diffusion coefficients have been calculated on the basis of kinetic theory and dipole reduced formalism. The parameters of interaction potential have been determined taking into account the contributions of a dispersion, dipole-dipole and dipole-induced dipole interactions between alumina clusters and bath molecules. The dipole moments, polarizabilities and collision diameters of clusters have been obtained by using quantum chemical calculations of cluster structure. The approximations for temperature dependencies of diffusion coefficients for two low-lying isomers of each considered alumina clusters are reported. It is demonstrated that an account for the contributions of the second for each type of clusters does not affect substantially the value of net diffusion coefficient. The diffusion coefficients of the isomers of small (Al2O3) n clusters can differ notably in the case when their dipole moments are distinct and they interact with strongly dipole molecules.

Sharipov, Alexander S.; Loukhovitski, Boris I.; Tsai, Chuen-Jinn; Starik, Alexander M.

2014-04-01

123

Background Support vector regression (SVR) and Gaussian process regression (GPR) were used for the analysis of electroanalytical experimental data to estimate diffusion coefficients. Results For simulated cyclic voltammograms based on the EC, Eqr, and EqrC mechanisms these regression algorithms in combination with nonlinear kernel/covariance functions yielded diffusion coefficients with higher accuracy as compared to the standard approach of calculating diffusion coefficients relying on the Nicholson-Shain equation. The level of accuracy achieved by SVR and GPR is virtually independent of the rate constants governing the respective reaction steps. Further, the reduction of high-dimensional voltammetric signals by manual selection of typical voltammetric peak features decreased the performance of both regression algorithms compared to a reduction by downsampling or principal component analysis. After training on simulated data sets, diffusion coefficients were estimated by the regression algorithms for experimental data comprising voltammetric signals for three organometallic complexes. Conclusions Estimated diffusion coefficients closely matched the values determined by the parameter fitting method, but reduced the required computational time considerably for one of the reaction mechanisms. The automated processing of voltammograms according to the regression algorithms yields better results than the conventional analysis of peak-related data. PMID:24987463

2014-01-01

124

A first-principles methodology for diffusion coefficients in metals and dilute alloys

NASA Astrophysics Data System (ADS)

This work is a study exploring the extent of suitability of static first-principles calculations for studying diffusion in metallic systems. Specifically, vacancy-mediated volume diffusion in pure elements and alloys with dilute concentration of impurities is studied. A novel procedure is discovered for predicting diffusion coefficients that overcomes the shortcomings of the well-known transition state theory, by Vineyard. The procedure that evolves from Eyring's reaction rate theory yields accurate diffusivity results that include anharmonic effects within the quasi-harmonic approximation. Alongside, the procedure is straightforward in its application within the conventional harmonic approximation, from the results of static first-principles calculations. To prove the extensibility of the procedure, diffusivities have been computed for a variety of systems. Over a wide temperature range, the calculated self-diffusion and impurity diffusion coefficients using local density approximation (LDA) of density functional theory (DFT) are seen to be in excellent match with experimental data. Self-diffusion coefficients have been calculated for: (i) fcc Al, Cu, Ni and Ag (ii) bcc W and Mo (v) hcp Mg, Ti and Zn. Impurity diffusion coefficients have been computed for: (i) Mg, Si, Cu, Li, Ag, Mo and 3d transition elements in fcc Al (ii) Mo, Ta in bcc W and Nb, Ta and W in bcc Mo (iii) Sn and Cd in hcp Mg and Al in hcp Ti. It is also an observation from this work, that LDA does not require surface correction for yielding energetics of vacancy-containing system in good comparison with experiments, unlike generalized gradient approximation (GGA). It is known that first-principles' energy minimization procedures based on electronic interactions are suited for metallic systems wherein the valence electrons are freely moving. In this thesis, research has been extended to study suitability of first-principles calculations within LDA/GGA including the localization parameter U, for Al system with transition metal solutes, in which charges are known to localize around the transition metal element. U parameter is determined from matching the diffusivities of 3d transition metal impurity in aluminum with reliable experimental data. The effort yielded activation energies in systematic agreement with experiments and has proved useful in obtaining insights into the complex interactions in these systems. Besides the prediction of diffusion coefficients, this research has been helpful in understanding the physics underlying diffusion. Within the scope of observations from the systems studied, certain diffusion related aspects that have been clarified are: (i) cause for non-Arrnenius' nature of diffusion plots (ii) definitions of atom migration properties (iii) magnitude and sign of diffusion parameters enthalpy and entropy of formation and migration and characteristic vibrational frequency (iv) trends in diffusivities based on activation energy and diffusion prefactor (vi) cause for anomalous diffusion behavior of 3d transition metals in Al, and their magnetic nature (vii) contributions from electronic contributions to curvature at very high temperatures of bcc refractory elements (viii) temperature dependence of impurity diffusion correlation factors. Finally, the double-well potential of diffusion by vacancy mechanism has been calculated from first-principles. This aided calculation of entropy of migration and thus free energy of migration along with characteristic vibrational frequency. Also for the first time, temperature dependence of enthalpy of migration and thus atom jump frequency has been accurately predicted. From the broad perspective of predicting diffusion coefficients from computational methodologies, it can be stated as a result of this work that: static first-principles extend an irreplaceable contribution to the future of diffusion modeling. The procedure obviated the use of (i) redundant approximations that limit its accuracy and (ii) support from other computational techniques that restrict its extensibility due to insufficient i

Mantina, Manjeera

125

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

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.

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

2008-05-30

126

Simultaneous estimation of effective and apparent diffusion coefficients in compacted bentonite.

Effective diffusion coefficients (D(e)) are usually measured by means of "through-diffusion" experiments in which steady state is reached, and the "time-lag" methods are used to estimate the apparent diffusion coefficient (D(a)). For sorbing radionuclides (as caesium), the time needed to reach steady-state conditions is very large, and the precision in D(a) determinations is not satisfactory. In this paper, a method that allows determining simultaneously effective and apparent diffusion coefficients in compacted bentonite without reaching steady-state conditions is described. Basically, this method consists of an "in-diffusion" experiment in which the concentration profile in the bentonite sample is used to estimate D(a), and the temporal evolution of the solute concentration in the reservoir is used to estimate D(e). This method has several advantages over the typical "through-diffusion" experiments, in particular: (a) experiment duration is significantly shorter, (b) D(a) values are measured with greater precision and (c) it is not necessary to maintain a constant solute concentration in the reservoir. This new method has been used to estimate the effective and apparent diffusion coefficients for caesium in FEBEX bentonite and in order to validate it, the results have been compared with results previously obtained with standard methods. Experimental results have been satisfactorily modelled using a simple model of diffusion in porewater and the measured value of D(e)(Cs) is very similar to D(e)(HTO) in the same bentonite. There is no evidence of "surface diffusion" in FEBEX bentonite for caesium. PMID:12598094

Cormenzana, José Luis; García-Gutiérrez, Miguel; Missana, Tiziana; Junghanns, Alvaro

2003-03-01

127

NASA Astrophysics Data System (ADS)

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.

Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

2014-05-01

128

The Diffusion Coefficient of Scandium in Dilute Aluminum-Scandium Alloys

NASA Astrophysics Data System (ADS)

The diffusion coefficient of Sc in dilute Al-Sc alloys has been determined at 748 K, 823 K, and 898 K (475 °C, 550 °C, and 625 °C, respectively) using semi-infinite diffusion couples. Good agreement was found between the results of the present study and both the higher temperature, direct measurements and lower temperature, indirect measurements of these coefficients reported previously in the literature. The temperature-dependent diffusion coefficient equation derived from the data obtained in the present investigation was found to be Combining these results with data from the literature and fitting all data simultaneously to an Arrhenius relationship yielded the expression In each equation given above, R is 0.0083144 kJ/mol K, T is in Kelvin, and the uncertainties are ±1 standard error.

Kerkove, Marcel A.; Wood, Thomas D.; Sanders, Paul G.; Kampe, Stephen L.; Swenson, Douglas

2014-08-01

129

Diffusion coefficient of CO(2) molecules as determined by (13)C NMR in various carbonated beverages.

In this paper, the NMR technique was used, for the first time, to accurately determine the diffusion coefficient D of CO(2)-dissolved molecules in various carbonated beverages, including champagne and sparkling wines. This parameter plays an important role concerning the bubble growth during its rise through the liquid (see ref 3). The diffusion coefficient of CO(2)-dissolved molecules D was compared with that deduced from the well-known Stokes-Einstein equation and found to significantly deviate from the general trend expected from Stokes-Einstein theory, i.e, D(SE) proportional, variant 1/eta, where D(SE) is the Stokes-Einstein diffusion coefficient and eta the viscosity of the liquid medium. PMID:14664507

Liger-Belair, Gerard; Prost, Elise; Parmentier, Maryline; Jeandet, Philippe; Nuzillard, Jean-Marc

2003-12-17

130

Electro-diffusion in a plasma with two ion species

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.

Kagan, Grigory; Tang Xianzhu [Theoretical Division Los Alamos National Laboratory Los Alamos, New Mexico 87545 (United States)

2012-08-15

131

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

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.

Ma, B.; Park, J.H.; Balachandran, U. [Argonne National Lab., IL (United States); Segre, C.U. [Illinois Inst. of Tech., Chicago, IL (United States). Dept. of Physics

1995-03-01

132

NASA Astrophysics Data System (ADS)

The aim of this work is to analyze the ability of modulated photothermal radiometry to retrieve the thermal diffusivity and the optical absorption coefficient of layered materials simultaneously. First, we extend the thermal quadrupole method to calculate the surface temperature of semitransparent multilayered materials. Then, this matrix method is used to evaluate the influence of heat losses by convection and radiation, the influence of the use of thin paint layers on the accuracy of thermal diffusivity measurements, and the effect of lateral heat diffusion due to the use of Gaussian laser beams. Finally, we apply the quadrupole method to retrieve (a) the thermal contact resistance in glass stacks and (b) the thermal diffusivity and optical absorption coefficient depth profiles in heterogeneous materials with continuously varying physical properties, as is the case of functionally graded materials and partially cured dental resins.

Salazar, Agustín; Fuente, Raquel; Apiñaniz, Estibaliz; Mendioroz, Arantza; Celorrio, R.

2011-08-01

133

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

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.

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

2010-03-09

134

A New Method for the Calculation of Diffusion Coefficients with Monte Carlo

NASA Astrophysics Data System (ADS)

This paper presents a new Monte Carlo-based method for the calculation of diffusion coefficients. One distinctive feature of this method is that it does not resort to the computation of transport cross sections directly, although their functional form is retained. Instead, a special type of tally derived from a deterministic estimate of Fick's Law is used for tallying the total cross section, which is then combined with a set of other standard Monte Carlo tallies. Some properties of this method are presented by means of numerical examples for a multi-group 1-D implementation. Calculated diffusion coefficients are in general good agreement with values obtained by other methods.

Dorval, Eric

2014-06-01

135

NASA Astrophysics Data System (ADS)

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-BF4, 243-318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF6, 258-323 K). The dispersion of 1H spin-lattice relaxation rate R1(?) is measured in the frequency range of 10 kHz-20 MHz, and the studies are complemented by 19F spin-lattice relaxation measurements on BMIM-PF6 in the corresponding frequency range. From the 1H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF4, and BMIM-PF6 are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the 1H 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 R1 on square root of frequency. From the 19F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF6. 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.

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

2014-06-01

136

NASA Astrophysics Data System (ADS)

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.

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

2015-02-01

137

Diffusion and virial coefficient in a mercury-argon gas mixture

NASA Astrophysics Data System (ADS)

Theoretical and experimental data on molecular beams and the mutual diffusion coefficient (MDC) and second virial coefficient (SVC) for an Hg-Ar gas mixture as a representative of the mercuryinert gas family are matched on basis of the Morse potential and the relations of the molecular kinetic theory of rarefied gases. Tables of the MDC and SVC values in the temperature range of 200-2000 K are calculated, and estimates of their accuracy are presented.

Popov, V. N.; Fokin, L. R.

2013-04-01

138

NASA Astrophysics Data System (ADS)

In this paper, the diffusivity in suspended monolayer graphene at low and high electric fields is investigated. The knowledge of this quantity and its dependence on the electric field is of primary importance not only for the investigation of the electronic transport properties of this material but also for the development of accurate drift-diffusion models. The results have been obtained by means of an ensemble Monte Carlo simulation. For the calculation of the diffusion coefficient, two different methods are considered, one based on the second central moment and the other one based on the Fourier analysis of velocity fluctuations, which are directly related to the noise behaviour at high frequencies. The diffusion coefficient is analyzed considering both parallel and transversal directions with regard to the applied field. Taking into account the importance of degeneracy in this material, the calculations are properly performed by considering an excess electron population obeying a linearized Boltzmann transport equation, which allows studying in an adequate fashion the diffusivity phenomena. The results show the importance of degeneracy effects at very low fields in which transport is mainly dominated by acoustic phonon scattering. Values of the diffusion coefficient larger than 40 000 cm2/Vs are obtained for a carrier concentration equal to 1012 cm-2. The correlation function of instantaneous velocity fluctuation is explained in terms of the wavevector distribution, and their power spectral density is evaluated in the THz range, showing an important dependence on the applied field and being strongly related to microscopic transport processes.

Rengel, R.; Martín, M. J.

2013-10-01

139

The diffusion of all stable lanthanides was measured both in calcia stabilized zirconia (CSZ) and in yttria stabilized zirconia (YSZ) in the temperature range between 1,286 and 1,600 degrees C. The lanthanide diffusion coefficients obtained increase with increasing ionic radius. The experimental activation enthalpy of diffusion is near 6 eV for CSZ and between 4 and 5 eV for YSZ and is not strongly affected by the type of lanthanide. The results were correlated with defect energy calculations of the lanthanide diffusion enthalpy using the Mott-Littleton approach. An association enthalpy of cation vacancies with oxygen vacancies of about 1 eV (96 kJ/mol) was deduced in the case of CSZ, while there is no association in the case of YSZ. Furthermore, the change in diffusion coefficients can be correlated to the interaction parameter for the interaction between the lanthanide oxide with zirconia: The higher the interaction parameter, the higher the lanthanide diffusion coefficient. PMID:15352843

Kilo, Martin; Taylor, Marcela A; Argirusis, Christos; Borchardt, Günter; Weber, Sylvain; Scherrer, Hubert; Jackson, Robert A

2004-09-15

140

Importance of diffuse metal ion binding to RNA.

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

Tan, Zhi-Jie; Chen, Shi-Jie

2011-01-01

141

We analyzed a diffusion model based on the assumption that the sufficient condition for the mass flux at point x+L to be different from zero is a nonzero value of the impurity gradient and of impurity concentration at point x. In our model, the length of the jump of diffusing particles from one equilibrium position to another has a defined

A. J. Janavicius; A. Poskus

2005-01-01

142

Lithium tracer-diffusion in an alkali-basaltic melt — An ion-microprobe determination

NASA Astrophysics Data System (ADS)

An ion-microprobe-based technique has been used to measure lithium tracer-diffusion coefficients ( D Li) in an alkali-basaltic melt at 1300, 1350 and 1400°C. The results can be expressed in the form: D Li=7.5 ×10 -2exp(-27,600/RT)cm 2S -1 The results show significantly faster diffusion rates than those previously recorded for other monovalent, divalent and trivalent cations in a tholeiitic melt. Consequently, diffusive transport of ions acting over a given time in a basaltic melt can produce a wider range of transport distance values than hitherto supposed. Hence, it is concluded that great care should be exercised when applying diffusion data to petrological problems.

Lowry, R. K.; Reed, S. J. B.; Nolan, J.; Henderson, P.; Long, J. V. P.

1981-03-01

143

NASA Astrophysics Data System (ADS)

This article is a review of empirical and calculated data on density, viscosity, and diffusion coefficients in hypereutectic Al-Si liquid alloys. Many regressions of the data were effected in order to consolidate the data as functions, which can be used to calculate each property as a function of temperature and concentration of Si. The chemical diffusion coefficient in the alloys was derived based on the Sutherland model, which relates the diffusion coefficient to viscosity.

Poirier, David R.

2014-08-01

144

Reorientational angle distribution and diffusion coefficient for nodal and cylindrical surfaces

NASA Astrophysics Data System (ADS)

We present a catalogue of diffusion coefficients and reorientational angle distribution (RAD) for various periodic surfaces, such as I-WP, F-RD, S, and S1 nodal surfaces; cylindrical structures like simple, undulated, and spiral cylinders, and a three-dimensional interconnected-rod structures. The results are obtained on the basis of a simulation algorithm for a diffusion on a surface given by the general equation ?(r)=0 [Ho?yst et al., Phys Rev. E 60, 302 (1999)]. I-WP, S, and S1 surfaces have a spherelike RAD, while F-RD has a cubelike RAD. The average of the second Legendre polynomial with RAD function for all nodal surfaces, except the F-RD nodal surface, decays exponentially with time for short times. The decay time is related to the Euler characteristic and the area per unit cell of a surface. This analytical formula, first proposed by B. Halle, S. Ljunggren, and S. Lidin in J. Chem. Phys. 97, 1401 (1992), is checked here on nodal surfaces, and its range of validity is determined. RAD function approaches its stationary limit exponentially with time. We determine the time to reach stationary state for all surfaces. In the case of the value of the effective diffusion coefficient the mean curvature and a connectivity between parts of surfaces have the main influence on it. The surfaces with low mean curvature at every point of the surface are characterized by high-diffusion coefficient. However if a surface has globally low mean curvature with large regions of nonzero mean curvature (negative and positive) the effective diffusion coefficient is low, as for example, in the case of undulated cylinders. Increasing the connectivity, at fixed curvatures, increases the diffusion coefficient.

Plewczy?ski, D.; Ho?yst, R.

2000-12-01

145

NASA Astrophysics Data System (ADS)

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.

Perko, Janez; Patel, Ravi A.

2014-05-01

146

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

Perko, Janez; Patel, Ravi A

2014-05-01

147

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

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.

C. Efthymiopoulos

2008-12-04

148

An accurate computer-assisted method to perform segmentation of brain tumor on apparent diffusion coefficient (ADC) images and evaluate its grade (malignancy state) has been designed using a mixture of unsupervised artificial neural networks (ANN) and hierarchical multiresolution wavelet. Firstly, the ADC images are decomposed by multiresolution wavelets, which are subsequently selectively reconstructed to form wavelet filtered images. These wavelet filtered

C. Vijayakumar; Gharpure Damayanti; R. Pant; C. M. Sreedhar

2007-01-01

149

An analytic approximation to the Diffusion Coefficient for the periodic Lorentz Gas

An approximate stochastic model for the topological dynamics of the periodic triangular Lorentz gas is constructed. The model, together with an extremum principle, is used to find a closed form approximation to the diffusion coefficient as a function of the lattice spacing. This approximation is superior to the popular Machta and Zwanzig result and agrees well with a range of numerical estimates.

C. Angstmann; G. P. Morriss

2012-02-14

150

An interpretation of potential scale dependence of the effective matrix diffusion coefficient

An interpretation of potential scale dependence of the effective matrix diffusion coefficient H experiments to investigate potential mechanisms behind possible scale-dependent behavior. The focus and characterized by multiple local flow loops formed mainly by small-scale fractures. The water velocity

Zhou, Quanlin

151

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...

152

Introduction We have improved the pol-FRAP method to measure the rotational diffusion coefficient

Introduction We have improved the pol-FRAP method to measure the rotational diffusion coefficient anisotropic particles needed for other techniques. Pol-FRAP proves to be very sensitive to lowproves.21 s at infinite dilution. Figure 3. Comparison of pol-FRAP with TEM. The hydrodynamic particle radius

Utrecht, Universiteit

153

Expression of optical diffusion coefficient in high-absorption turbid media

NASA Astrophysics Data System (ADS)

The optical diffusion coefficient in a homogeneous turbid medium with high absorption was determined by steady-state measurements of the light transmission under the infinite-boundary condition. The intensity of the transmission was well described by the solution of the optical diffusion equation. Moreover, the optical diffusion coefficient D was given by a constant, , where is the reduced scattering coefficient, up to the absorption coefficient of about . These results mean that attenuation by absorption only contributes to exponential attenuation along the optical path defined by the scattering coefficient and geometry of the system even in high-absorption turbid media such as the pathological living tissues of bleeding or haematoma.

Nakai, T.; Nishimura, G.; Yamamoto, K.; Tamura, M.

1997-12-01

154

NASA Astrophysics Data System (ADS)

High-order compact exponential finite difference scheme for solving the time fractional convection-diffusion reaction equation with variable coefficients is considered in this paper. The convection, diffusion and reaction coefficients can depend on both the spatial and temporal variables. We begin with the one dimensional problem, and after transforming the original equation to one with diffusion coefficient unity, the new equation is discretized by a compact exponential finite difference scheme, with a high-order approximation for the Caputo time derivative. We prove the solvability of this fully discrete implicit scheme, and analyze its local truncation error. For the fractional equation with constant coefficients, we use Fourier method to prove the stability and utilize matrix analysis as a tool for the error estimate. Then we discuss the two dimensional problem, give the compact ADI scheme with the restriction that besides the time variable, the convection coefficients can only depend on the corresponding spatial variables, respectively. Numerical results are provided to verify the accuracy and efficiency of the proposed algorithm.

Cui, Mingrong

2015-01-01

155

Analysis in the frequency domain is considered a powerful tool to elicit precise information from spectroscopic signals. In this study, the Fourier transformation technique is employed to determine the diffusion coefficient (D) of a number of proteins in the frequency domain. Analytical approaches are investigated for determination of D from both experimental and data treatment viewpoints. The diffusion process is modeled to calculate diffusion coefficients based on the Fourier transformation solution to Fick's law equation, and its results are compared to time domain results. The simulations characterize optimum spatial and temporal conditions and demonstrate the noise tolerance of the method. The proposed model is validated by its application for the electropherograms from the diffusion path of a set of proteins. Real-time dynamic scanning is conducted to monitor dispersion by employing whole column imaging detection technology in combination with capillary isoelectric focusing (CIEF) and the imaging plug flow (iPF) experiment. These experimental techniques provide different peak shapes, which are utilized to demonstrate the Fourier transformation ability in extracting diffusion coefficients out of irregular shape signals. Experimental results confirmed that the Fourier transformation procedure substantially enhanced the accuracy of the determined values compared to those obtained in the time domain. PMID:25607375

Zarabadi, Atefeh S; Pawliszyn, Janusz

2015-02-17

156

In this paper, a new development of the classic Onsager phenomenological formalism is derived using relations based on linear response theory. The development concerns the correct description of the fluxes of the atomic isotopes. The resulting expressions in the laboratory frame are surprisingly simple and consist of terms coming from the standard interdiffusion expressions and from Fick s first law where the tracer diffusion coefficient is involved thus providing a better understanding of the relationship between the two approaches - Fick s first law and the Onsager phenomenological formalism. From an experimental application perspective, the new development is applied to the binary alloy case. The formalism provides the means to obtain the interdiffusion coefficient and tracer diffusion coefficients simultaneously from analysis of the interdiffusion concentration profiles in a single experiment.

Belova, Irina [University of Newcastle, NSW, Australia; Kulkarni, Nagraj S [ORNL; Sohn, Yong Ho [University of Central Florida; Murch, Prof. Graeme [University of Newcastle, NSW, Australia

2013-01-01

157

Fickian Diffusion Coefficient of Binary Liquid Mixtures in a Thermogravitational Column

NASA Astrophysics Data System (ADS)

By measuring the mass fraction difference between the top and the bottom of a thermogravitational column as a function of time, we show that this transient evolution of the separation toward its steady value gives the isothermal mass diffusion coefficient, at least in the validity limit of the Furry-Jones-Onsager theory, whereas the final steady separation produces the thermodiffusion coefficient. The following mixtures have been considered: water-ethanol (39.12 wt% ethanol), toluene-hexane (51.7 wt% toluene), and the three systems of the so-called “benchmark of Fontainebleau”, which are the three binaries composed of isobutylbenzene and/or dodecane and/or 1,2,3,4 tetrahydronaphthalene (50 wt% in each component for each case). The obtained results indicate that reliable values of the isothermal diffusion coefficient can be determined by using the thermogravitational method.

Valencia, J. J.; Bou-Ali, M. M.; Platten, J. K.; Ecenarro, O.; Madariaga, J. M.; Santamaría, C. M.

2007-09-01

158

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

NASA Technical Reports Server (NTRS)

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.

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

1988-01-01

159

NASA Astrophysics Data System (ADS)

The self-diffusion coefficients D of both species in model nanocolloidal dispersions have been computed using molecular dynamics (MD) simulation, in which three-dimensional model spherical colloidal particles were in a molecularly discrete solvent. The effects of the relative density, size, and concentration of the two species were explored. Simulations were carried out at infinite dilution (a single colloidal particle) and at finite packing fractions (many colloidal particles) in the simulation cell using single interaction centers between the model colloidal particles and solvent molecules. The calculations used the Weeks-Chandler-Andersen (WCA) or Lennard-Jones (LJ), interaction potentials between all species. Nanocolloid particles with diameters up to ~6 times the solvent molecule were modeled. At liquidlike densities the self-diffusion coefficients of the colloidal particles, Dc, for all sizes and packing fractions, statistically exhibited no mass dependence but a significant colloid particle size dependence. This can be interpreted in a systematic manner using a Mori series expansion. The first Mori coefficient (which is inversely proportional to particle mass) dominates the value of the self-diffusion coefficient for both species, and which also leads to a formal cancellation of the mass dependence at the order of the first Mori coefficient KB1 (the self-diffusion coefficient is therefore determined by a ``static'' property to this order). The values of Dc at each packing fraction are found to be approximately inversely proportional to the colloidal particle diameter, quantitatively following the same trend as the Stokes-Einstein equation, even for the small colloidal particle sizes and finite colloidal particle concentrations studied here. Another consequence of the dominance of the first Mori coefficient is that the normalized velocity autocorrelation function of the colloidal particle at a short time can be represented well at all state points and packing fractions by the analytic form ~=cos(?0t), where ?0=KB1, which is the so-called Einstein frequency. LJ and WCA systems with otherwise the same system parameters manifest the same oscillation frequency, but the LJ oscillation amplitudes are larger and the values of Dc are smaller. The self-diffusion coefficients and shear viscosities obey a volume fraction dependence similar to that found for much larger colloidal particles.

Nuevo, María J.; Morales, Juan J.; Heyes, David M.

1998-11-01

160

Diffusive currents and Coulomb separation of ions in dense matter

NASA Astrophysics Data System (ADS)

We derive diffusive currents in strongly coupled Coulomb ion mixtures in dense stellar matter. Coulomb coupling in the presence of gravity and electric fields, induced by gravity owing to plasma polarization, creates a specific diffusion current which separates ions with the same A/Z (mass to charge number ratios) but different Z. This Coulomb separation can be important in white dwarfs and neutron stars.

Beznogov, M. V.; Yakovlev, D. G.

2014-12-01

161

The 2D- J-DOSY Experiment: Resolving Diffusion Coefficients in Mixtures

NASA Astrophysics Data System (ADS)

Many diffusion- ordered spectroscop y (DOSY) NMR techniques have recently been developed to aid in the deconvolution of complex mixtures. Spectroscopic separation based on chemical and physical properties facilitates the identification of mixture components while eliminating time-consuming separation steps and preserving the chemical environment. One way to improve resolution in such experiments is to spread the spectroscopic information into two dimensions. The 2D- J-DOSY experiment has been designed to resolve mixture components in terms of a chemical shift and proton coupling constant as well as distinguishing them on the basis of translational diffusion. Acquiring a series of spectra as a function of gradient amplitude permits the determination of diffusion coefficients for components that cannot be resolved in the one-dimensional (1D) 1H NMR spectrum. Comparison of the resulting values with those obtained through the traditional 1D diffusion experiment for a mixture of sugars validates The 2D- J-DOSY technique.

Lucas, Laura H.; Otto, William H.; Larive, Cynthia K.

2002-05-01

162

Tracer diffusion coefficients for Li in glasses of albite, orthoclase, and obsidian composition have been determined by a method involving deposition of a thin source on polished glass wafers, anneal under controlled temperature conditions (300-900°C), and ion-microprobe determination of the concentration profile. All results conform to an Arrhenius-type relationship, D = D0 exp(-Q\\/RT), where Q is 23, 17, and 22

Albert Jambon; Michel P. Semet

1978-01-01

163

Ion beam analysis of diffusion in heterogeneous materials

NASA Astrophysics Data System (ADS)

Ion-beam analysis has been applied to a variety of problems involving diffusion in heterogeneous materials. An energy loss technique has been used to study both the diffusion of water and the surface segregation of fluoropolymers in polymeric matrices. A scanning micro-beam technique has been developed to allow water concentrations in hydrophilic polymers and cements to be measured together with associated solute elements. It has also been applied to the diffusion of shampoo into hair.

Clough, A. S.; Jenneson, P. M.

1998-04-01

164

In Fricke dosimetry, optical density measurements are performed some time after dosimeter irradiation. Values of the diffusion coefficient of Fe(3+) in Fricke Xylenol gel (FXG) are necessary for determining the spatial distribution of the absorbed dose from measurements of the optical density. Five sets of FXG dosimeters, kept at different constant temperatures, were exposed to collimated 6 MV photons. The optical density profile, proportional to the Fe(3+) concentration, at the boundary between irradiated and non-irradiated parts of each dosimeter was measured periodically over a period of 60 h. By comparing the experimental data with a function that accounts for the unobserved initial concentration profile of Fe(3+) in the FXG, we obtained diffusion coefficients 0.30±0.05, 0.40±0.05, 0.50±0.05, 0.60±0.05 and 0.80±0.05 mm(2)/h for the temperatures 283.0±0.5, 286.0±0.5, 289.0±0.5, 292.0±0.5, and 296.0±0.5 K, respectively. The activation energy of Fe(3+) diffusion in the gel, 0.54±0.06 eV, was determined from the temperature dependence of the diffusion coefficients. PMID:24836903

de Oliveira, Lucas Nonato; Sampaio, Francisco Glaildo Almeida; Moreira, Marcos Vasques; de Almeida, Adelaide

2014-08-01

165

Effect of chain flexibility on master curve behavior for diffusion coefficient.

The diffusion coefficients of simple chain models are analyzed as a function of packing fraction, ?, and as a function of a parameter C that is the density raised to a power divided by temperature to look at scalar metrics to find master curves. The central feature in the analysis is the mapping onto an effective hard site diameter, d. For the molecular models lacking restrictions on dihedral angle (e.g., freely jointed), simple mappings of molecular potential to d work very well, and the reduced diffusion coefficient, D*, collapses into a single-valued function of ?. Although this does not work for the dihedral angle restriction case, assuming that d is inversely proportional to temperature to a power results in collapse behavior for an empirically selected value of the power. This is equivalent to D* being a single-valued function of C. The diffusion coefficient of a single-site penetrant in the chain systems also is found to be a scalar metric that can reduce the chain diffusion data for a given system to a single master curve. PMID:24387376

Budzien, Joanne; Heffernan, Julieanne V; McCoy, John D

2013-12-28

166

NASA Astrophysics Data System (ADS)

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)10.1073/pnas.0509576103] 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.

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

2010-11-01

167

An interpretation of potential scale dependence of the effectivematrix diffusion coefficient

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).

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

2005-11-30

168

Intracellular pH, H ion flux and H ion permeability coefficient in bullfrog toe muscle

1. The dimethyloxazolidinedione (DMO) technique was used to estimate intracellular pH (pHi) in bullfrog toe muscles incubated in vitro. The control value of pHi was 7·16 + ± 0·01 (S.D.). 2. pHi was affected by changes in PCO2 and external bicarbonate ion concentration ([HCO3-]0). At a given PCO2, decreasing the external [HCO3-] was more effective in lowering pHi than increasing the external [HCO3-] was in increasing pHi. 3. On the assumption that the changes in pHi were due to hydrogen ion [H+) movements across the membrane, a H+ flux of 10-13 mole/cm2. sec was calculated. The corresponding H+ permeability coefficient was 10-3 cm/sec. 4. The variability of the tissue CO2 buffer value was examined. PMID:4536964

Izutsu, K. T.

1972-01-01

169

NASA Astrophysics Data System (ADS)

This paper focuses on the derivation of a general position-dependent diffusion coefficient to describe the two-dimensional (2D) diffusion in a narrow and smoothly asymmetric channel of varying cross section and non-straight midline embedded in a flat or on a curved surface. We consider the diffusion of non-interacting point-like Brownian particles under no external field. In order to project the 2D diffusion equation into an effective one-dimensional generalized Fick-Jacobs equation in both, flat and curved manifolds using the generalization of the mapping procedure introduced by Kalinay and Percus. The expression obtained is the more general position-dependent diffusion coefficient for 2D narrow channels that lies in a plane, which contains all the well-known previous results both symmetric and asymmetric channels as special cases. In a straightforward manner, previously defining the corresponding Fick-Jacobs equation on a curved surface, this result can be generalized to the case of a narrow 2D channel embedded on a no-flat smooth surface where the full position-dependent diffusion coefficient is modified according to the metric elements that accounts for the curvature of the surface. In addition, the equations for the mean first-passage time are obtained for asymmetrical channels on curved surfaces. As an example we shall solve this equation for the case of an asymmetric channel defined by straight walls embedded on a cylindrical surface having a reflecting wall at the origin and an absorbent one at distance ?L.

Pineda, I.; Chacón-Acosta, G.; Dagdug, L.

2014-12-01

170

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

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

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

2012-04-27

171

This letter proposes an experimental method to estimate the absorption coefficient of sound absorbing materials under a synthesized diffuse acoustic field in free-field conditions. Comparisons are made between experiments conducted with this approach, the standard reverberant room method, and numerical simulations using the transfer matrix method. With a simple experimental setup and smaller samples than those required by standards, the results obtained with the proposed approach do not exhibit non-physical trends of the reverberant room method and provide absorption coefficients in good agreement with those obtained by simulations for a laterally infinite material. PMID:24993232

Robin, Olivier; Berry, Alain; Doutres, Olivier; Atalla, Noureddine

2014-07-01

172

Diffusivity measurement of heavy ions in Wyoming montmorillonite gels by X-ray computed tomography.

Medical X-ray computed tomography (CT) was applied to the measurement of the diffusion coefficients of heavy ions in an artificial barrier material for the disposal of nuclear wastes. Cs(+), Sr(2+), I(-), and Br(-) are the heavy ions measured and the barrier used is the water-rich gel of Wyoming montmorillonite (86.5-100 wt.% H(2)O). X-ray CT yields an inevitable artifact (beam-hardening) in the obtained images. Before the diffusion experiments, the polychromatic primary X-ray spectrum of the CT scanner was measured by a CdZnTe detector, and the effects of the artifact were examined for an aqueous CsCl solution sample. The results show that the beam-hardening artifact derived from the polychromatic photon energy distribution can be suppressed by applying a special image reconstruction method assuming the chemical composition of samples. The transient one-dimensional diffusion of heavy ions in a plastic container filled with the gel was imaged nondestructively by the X-ray CT scanner with an in-plane resolution of 0.31 mm and slice thickness of 2 mm. The results show that diffusivities decrease with increasing clay weight fraction. The degree of the diffusivity decrease was high for cations (Cs(+) and Sr(2+)) and low for anions (I(-) and Br(-)). The quantitative decomposition of the contribution of the geometrical tortuosity and of the sorption to the diffusivity was performed by subtracting the diffusivity of nonsorbing I(-) from the measured diffusivities. The results show that the contribution of the sorption is large for Cs(+), Sr(2+) and small for Br(-). Because X-ray CT allows nondestructive and quick measurements of diffusivities, the technique would be useful particularly for measuring the diffusive migration of harmful radioactive elements. PMID:12598101

Nakashima, Yoshito

2003-03-01

173

and Stell expressed D? ~s /D? s as as 1+Y B 1 as I+Y? a, 2 as I+? + 1+4(Y? as D? s 1+y- a, (2. 17) which replaces the otherwise obtained factor using molecular dynamics simulations. In equation (2. 17), D? n is the diffusivity... measured diffusion coefficient should be tested against this criterion to ratify a negligible secondary flow effect. 23 21 19 17 15 C) 13 R 0. 3 0. 4 0. 5 0. 6 0. 7 0. 8 0. 9 1. 0 1. 1 1. 2 Average Velocity (cm/s) Figure 5. Flow Rate Effects...

Orejuela, Mauricio

2012-06-07

174

Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites

NASA Technical Reports Server (NTRS)

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.

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

2001-01-01

175

Diffusive Cooling of Ions in a Hollow Cathode Discharge

NASA Astrophysics Data System (ADS)

We present evidence of diffusive cooling of ions in the negative glow (NG) of a hollow cathode discharge (HCD). For typical radius-gas density products in a HCD, the ambipolar diffusion (ion loss) rate from the NG and the collisional thermalization rate are nearly same. Since collisional thermalization fills out the tail of the Maxwellian distribution, the competition results in a somewhat truncated ion velocity distribution. This effect is observed in our High Sensitivity Absorption experiment on iron ions. The curve-of-growth for the analysis of our absorption data uses a Voigt spectral lineshape. The most satisfactory "effective" ion temperature in the Voigt lineshape is unphysically low (below the water cooled cathode temperature) under low current conditions. Effective ion temperatures are determined by requiring that the curve-of-growth analysis of the absorption data accurately reproduce well known oscillator strength ratios for singly ionized iron. Supported by the NASA and the NSF.

Mullman, K. L.; Sakai, M.; Lawler, J. E.

1996-10-01

176

Transient enhanced diffusion from decaborane molecular ion implantation

NASA Astrophysics Data System (ADS)

Transient enhanced diffusion (TED) from implantation of 5 keV B10H14 and 0.5 keV B ions has been quantified and compared for nominal boron doses of 1014 and 1015cm-2. Boron diffusivity during annealing was extracted from secondary ion mass spectroscopy depth profiles of diffused marker layers in boron doping-superlattices and the actual implanted B dose was independently measured by nuclear reaction analysis. Comparable enhancements were observed from both ions. Transmission electron microscopy analysis revealed that both boron- and decaborane-implanted samples were amorphized at a nominal 1015cm-2 B dose. A comparison with data from low energy Si implants revealed a similar dependence of diffusivity enhancement on implant dose. These findings are consistent with the understanding that TED is caused by the interstitial supersaturation resulting from a number of excess interstitials approximately equal to the number of implanted atoms which can become substitutional in the silicon lattice. Accordingly, no contribution to TED is expected from the hydrogen in the B10H14 ions and none is observed. Furthermore, there is no detectable effect in the diffusion profiles which can be attributed to a difference in the ion damage produced by the decaborane molecule and the boron atom. In both cases the reduction in diffusivity enhancement is due only to proximity of the implantation-induced excess interstitials to the wafer surface.

Agarwal, Aditya; Gossmann, H.-J.; Jacobson, D. C.; Eaglesham, D. J.; Sosnowski, M.; Poate, J. M.; Yamada, I.; Matsuo, J.; Haynes, T. E.

1998-10-01

177

NASA Astrophysics Data System (ADS)

The difference between the inter-diffusion kinetics of K+-Na+ in the air and tin sides of an ion-exchanged float aluminosilicate glass was investigated as a function of the exchange temperature and time. The potassium concentration profiles of the ion-exchanged glass surface were experimentally measured by electron microprobe analysis, and the diffusion coefficient was calculated by the Boltzmann-Montano approach. On the tin side of the ion-exchanged glass, the diffusion of K+-Na+ ions is hindered by tin. The diffusion coefficient is also more sensitive to temperature and time on the tin than on the air sides. The results would be useful in guiding the strengthening process of float glass by one step ion-exchange or two step ion-exchange to obtain engineered stress profile (ESP) glasses.

Jiang, Liangbao; Guo, Xintao; Li, Xiaoyu; Li, Lei; Zhang, Guanli; Yan, Yue

2013-01-01

178

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

Nicholson, C; Phillips, J M

1981-01-01

179

Oxygen diffusion coefficient and solubility in a new proton exchange membrane

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.

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

2000-03-01

180

Eddy diffusion coefficient for the atmosphere of Venus from radio scintillation measurements

NASA Technical Reports Server (NTRS)

Estimates are obtained of the vertical mass eddy diffusion coefficient of the Venus atmosphere in the region of turbulence near 60 km on the basis of radio scintillations observed during radio occultation by the atmosphere. The structure constant estimated from Pioneer Venus orbit 18 entrance radio occultation measurements is used, under the assumption that the turbulence is generated by wind-shear, to derive a value of 40,000 sq cm/sec for the vertical mass eddy diffusion coefficient, together with an energy dissipation rate of 20 sq cm/sec and a temperature fluctuation dissipation rate of 0.001 K-squared/sec. Results are noted to fall within the range measured for the earth's troposphere, however, indicate that small-scale turbulence is probably the dominant mechanism for vertical transport near the tropopause in the Venus atmosphere.

Woo, R.; Ishimaru, A.

1981-01-01

181

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

NASA Astrophysics Data System (ADS)

The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes—Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature.

Ju, Yuan-Yuan; Zhang, Qing-Ming; Gong, Zi-Zheng; Ji, Guang-Fu

2013-08-01

182

Determination of the Solute Diffusion Coefficient by the Droplet Migration Method

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.

Shan Liu; Jing Teng; Jeongyun Choi

2007-07-01

183

The objective of the work is to provide accurate data on diffusion coefficients and heats of absorption of acid gases in aqueous amine solutions to assist in the design of economical new amine treating systems and to improve the efficiency of existing plants. Specifically covered in the report are measurements of the mutual diffusion coefficient of methyldiethanolamine(MDEA) and diethanolamine in water. Measurements have been made at 25, 50 and 75C and at 0, 20, 35 and 50 wt% amine. Heats of absorption of CO2 into aqueous mixtures of MDEA have also been measured calorimetrically. Results are reported at temperatures of 120 and 260F and pressures of 500 and 1000 psia at total MDEA concentrations of 20, 35 and 50%.

Rowley, R.L.; Oscarson, J.L.

1993-01-01

184

We report on the measurement of diffusion (D), thermodiffusion (D(T)), and Soret (S(T)) coefficients in water-isopropanol mixtures by three different instrumental techniques: thermogravitational column in combination with sliding symmetric tubes, optical beam deflection, and optical digital interferometry. All the coefficients have been measured over the full concentration range. Results from different instruments are in excellent agreement over a broad overlapping composition (water mass fraction) range 0.2 < c < 0.7, providing new reliable benchmark data. Comparison with microgravity measurements (SODI/IVIDIL (Selected Optical Diagnostic Instrument/Influence of VIbration on DIffusion in Liquids)) onboard the International Space Station and with literature data (where available) generally gives a good agreement. Contrary to theoretical predictions and previous experimental expectations we have not observed a second sign change of S(T) at low water concentrations. PMID:22755592

Mialdun, A; Yasnou, V; Shevtsova, V; Königer, A; Köhler, W; Alonso de Mezquia, D; Bou-Ali, M M

2012-06-28

185

Mechanisms of Stochastic Diffusion of Energetic Ions in Spherical Tori

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.

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

2001-01-18

186

Diffuse attenuation coefficient of downwelling irradiance: An evaluation of remote sensing methods

The propagation of downwelling irradiance at wavelength ? from surface to a depth (z) in the ocean is governed by the diffuse attenuation coefficient, $\\\\bar{K}_{d}$(?). There are two standard methods for the derivation of $\\\\bar{K}_{d}$(?) in remote sensing, which both are based on empirical relationships involving the blue-to-green ratio of ocean color. Recently, a semianalytical method to derive $\\\\bar{K}_{d}$(?) from

Zhong-Ping Lee; Miroslaw Darecki; Kendall L. Carder; Curtiss O. Davis; Dariusz Stramski; W. Joseph Rhea

2005-01-01

187

Diffusion coefficients of some solutes in fcc and liquid Al: critical evaluation and correlation

The diffusion coefficients of several transition elements (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) and a few non-transition elements (Mg, Si, Ga, and Ge) in fcc and liquid Al are critically reviewed and assessed by means of the least-squares method and semi-empirical correlations. Inconsistent experimental data are identified and ruled out. In the case of the elements,

Yong Du; Y. A Chang; Baiyun Huang; Weiping Gong; Zhanpeng Jin; Honghui Xu; Zhaohui Yuan; Yong Liu; Yuehui He; F.-Y Xie

2003-01-01

188

Thermodynamic scaling law for the diffusion coefficient in hard-sphere system

NASA Astrophysics Data System (ADS)

Two scaling laws are investigated, which are devoted to link the diffusion coefficient to the thermodynamic properties for the athermal hard-sphere system, over the wide range of packing fraction covering the stable and metastable regimes. It is found that the most relevant control parameter is not the excess entropy, but the compressibility factor, i.e. the logarithm derivative of the excess entropy with respect to the packing fraction.

Bomont, Jean-Marc; Bretonnet, Jean-Louis

2015-02-01

189

Test of the Universal Scaling Law for the Diffusion Coefficient in Liquid Metals

The recently proposed scaling law relating the diffusion coefficient and the excess entropy of a liquid [M. Dzugutov, Nature (London) 381, 137 (1996)] is tested for several metals using molecular dynamics simulations. Interatomic potentials derived from the embedded atom method are used to study Ag, Au, Cu, Ni, Pd, Pt, Ni{sub 3}Al , and AuPt and the angular dependent Stillinger-Weber form is used to investigate Si. (c) 2000 The American Physical Society.

Hoyt, J. J. [Sandia National Laboratories, MS 9161, P. O. Box 969, Livermore, California 94551-0969 (United States)] [Sandia National Laboratories, MS 9161, P. O. Box 969, Livermore, California 94551-0969 (United States); Asta, Mark [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States)] [Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States); Sadigh, Babak [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)] [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

2000-07-17

190

The diffuse attenuation coefficient, K (m? 1), is a measure of the effective attenuation of light in the water column. It characterizes water clarity and is used as a\\u000a proxy for water quality. Mapping of shallow water benthic habitats using optical means, including daytime visible satellite\\u000a imagery, requires knowledge of K to correct for water column effects such as light

D. Palandro; C. Hu; S. Andréfouët; F. E. Muller-Karger

2004-01-01

191

The diffuse attenuation coefficient, K (m–1), is a measure of the effective attenuation of light in the water column. It characterizes water clarity and is used as a\\u000a proxy for water quality. Mapping of shallow water benthic habitats using optical means, including daytime visible satellite\\u000a imagery, requires knowledge of K to correct for water column effects such as light absorption

D. Palandro; C. Hu; S. Andréfouët; F. E. Muller-Karger

192

A new, steady-state experimental system for measurement of the Fickian diffusion coefficients for solutes in supercritical carbon dioxide (SC-CO{sub 2}) was designed and evaluated. Mass transfer between a liquid solute and SC-CO{sub 2} was carried out in a parallel plate geometry where a porous metal sheet, immersed in the liquid phase, stabilized the interface. The SC-CO{sub 2} flowed over the porous metal sheet containing the liquid phase which was presaturated with CO{sub 2}. The use of the porous metal sheet and a thin mobile layer allowed flow rates high enough to achieve the necessary pressure drop to eliminate the commonly encountered, density-induced stagnation of SC-CO{sub 2} at the interface while avoiding surface-tension-related problems. The binary diffusion coefficients of methyl oleate in SC-CO{sub 2} at finite concentrations were measured at 40, 50, and 60 C and at pressures ranging from 10.6 to 14.0 MPa. The experimentally measured values were 1.5--4.6 times lower than those predicted for infinite dilution and were found to decrease with solute concentration at constant pressure and temperature. This technique offers advantages over other commonly used methods in that the concentration dependence of diffusion coefficients in multicomponent systems can be studied.

Tuan, D.Q.; Zollweg, J.A.; Rizvi, S.S.H. [Cornell Univ., Ithaca, NY (United States)] [Cornell Univ., Ithaca, NY (United States); Yener, M.E. [Middle East Technical Univ., Ankara (Turkey). Dept. of Food Engineering] [Middle East Technical Univ., Ankara (Turkey). Dept. of Food Engineering; [Cornell Univ., Ithaca, NY (United States). School of Chemical Engineering

1999-02-01

193

The effect of diffuser angle on the discharge coefficient of a miniature critical nozzle

NASA Astrophysics Data System (ADS)

Many researches on critical nozzles have been performed to accurately measure the mass flow rate of gas flow, and to standardize the performance as a flow meter. Recently, much interest is being paid on the measurement of very small mass flow rate in industry fields such as MEMS applications. However, the design and performance data of the critical nozzles obtained so far have been applied mainly to the critical nozzles with comparatively large diameters, and the works available on miniature critical nozzles are lacking. In the present study, a computational fluid dynamics method has been applied to investigate the influence of the diffuser angle on discharge coefficient of the miniature critical nozzles. In computations, the throat diameter of critical nozzle is varied from 0.2 mm to 5.0 mm and the diffuser angle is changed from 2 deg to 8 deg. The computational results are validated with some experimental data available. The results show that the present computational results predict appropriately the discharge coefficient of the gas flows through miniature critical nozzles. It is known that the discharge coefficient is considerably influenced by the diffuser angle, as the throat diameter of nozzle becomes small below a certain value. This implies that the miniature critical nozzles should be carefully designed.

Kim, Jae Hyung; Kim, Heuy Dong; Setoguchi, Toshiaki

2010-06-01

194

In vivo imaging studies in animal models are hindered by variables that contribute to poor image quality and measurement reliability. As such we sought to improve the diffusion coefficient (ADC) of an orthotopic mouse model of gastric cancer in diffusion-weighted images (DWI) using alginate moulding and Ultrasonic coupling medium. BGC-823 human gastric cancer cells were subcutaneously injected into the abdomen of nude mice and 1?mm3 primary tumour was orthotopically transplanted. Alginate and coupling medium were applied to the mice and MRI (T2 and DWI) was performed for 6 weeks. Regions of interest (ROI) were drawn and liver and tumour ADC were evaluated. Using alginate moulding, the mean quality total score of DW imaging was 8.53; however, in control animals this value was 5.20 (p < 0.001). The coefficient of variation of ADC of liver in experimental and control groups were 0.071 and 0.270 (p < 0.001), respectively, suggesting this method may be helpful for DWI studies of important human diseases such as gastric cancer. PMID:25123166

Sun, Jia; Zhang, Xiao-Peng; Li, Xiao-Ting; Tang, Lei; Cui, Yong; Zhang, Xiao-Yan; Sun, Ying-Shi

2014-01-01

195

In vivo imaging studies in animal models are hindered by variables that contribute to poor image quality and measurement reliability. As such we sought to improve the diffusion coefficient (ADC) of an orthotopic mouse model of gastric cancer in diffusion-weighted images (DWI) using alginate moulding and Ultrasonic coupling medium. BGC-823 human gastric cancer cells were subcutaneously injected into the abdomen of nude mice and 1?mm(3) primary tumour was orthotopically transplanted. Alginate and coupling medium were applied to the mice and MRI (T2 and DWI) was performed for 6 weeks. Regions of interest (ROI) were drawn and liver and tumour ADC were evaluated. Using alginate moulding, the mean quality total score of DW imaging was 8.53; however, in control animals this value was 5.20 (p < 0.001). The coefficient of variation of ADC of liver in experimental and control groups were 0.071 and 0.270 (p < 0.001), respectively, suggesting this method may be helpful for DWI studies of important human diseases such as gastric cancer. PMID:25123166

Sun, Jia; Zhang, Xiao-Peng; Li, Xiao-Ting; Tang, Lei; Cui, Yong; Zhang, Xiao-Yan; Sun, Ying-Shi

2014-01-01

196

Ion-beam-induced topography and surface diffusion

NASA Technical Reports Server (NTRS)

It is pointed out that the development of surface topography along with enhanced surface and bulk diffusion processes accompanying ion bombardment have generated growing interest among users of ion beams and plasmas for thin film or material processing. Interest in these processes stems both from attempts to generate topographic changes for specific studies or applications and from the need to suppress or control undesirable changes. The present investigation provides a summary of the current status of impurity-induced texturing, with emphasis on recent developments. Particular attention is given to the texturing accompanying deposition of an impurity material onto a solid surface while simultaneously etching the surface with an ion beam. A description of experimental considerations is provided, and a thermal-diffusion model is discussed along with the development of sputter cones, and aspects of impact-enhanced surface diffusion.

Robinson, R. S.; Rossnagel, S. M.

1982-01-01

197

Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions.

A general formalism is developed for calculating the time-dependent rate coefficient k(t) of an irreversible diffusion-influenced reaction. This formalism allows one to treat most factors that affect k(t), including rotational Brownian motion and conformational gating of reactant molecules and orientation constraint for product formation. At long times k(t) is shown to have the asymptotic expansion k(infinity)[1 + k(infinity) (pie Dt)-1/2 /4 pie D + ...], where D is the relative translational diffusion constant. An approximate analytical method for calculating k(t) is presented. This is based on the approximation that the probability density of the reactant pair in the reactive region keeps the equilibrium distribution but with a decreasing amplitude. The rate coefficient then is determined by the Green function in the absence of chemical reaction. Within the framework of this approximation, two general relations are obtained. The first relation allows the rate coefficient for an arbitrary amplitude of the reactivity to be found if the rate coefficient for one amplitude of the reactivity is known. The second relation allows the rate coefficient in the presence of conformational gating to be found from that in the absence of conformational gating. The ratio k(t)/k(0) is shown to be the survival probability of the reactant pair at time t starting from an initial distribution that is localized in the reactive region. This relation forms the basis of the calculation of k(t) through Brownian dynamics simulations. Two simulation procedures involving the propagation of nonreactive trajectories initiated only from the reactive region are described and illustrated on a model system. Both analytical and simulation results demonstrate the accuracy of the equilibrium-distribution approximation method. PMID:8913584

Zhou, H X; Szabo, A

1996-01-01

198

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

NASA Astrophysics Data System (ADS)

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.

Meyer, Andreas

2015-01-01

199

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...

200

201

Transient enhanced diffusion from decaborane molecular ion implantation

Transient enhanced diffusion (TED) from implantation of 5thinspkeVthinspB{sub 10}H{sub 14} and 0.5 keV B ions has been quantified and compared for nominal boron doses of 10{sup 14} and 10{sup 15}thinspcm{sup {minus}2}. Boron diffusivity during annealing was extracted from secondary ion mass spectroscopy depth profiles of diffused marker layers in boron doping-superlattices and the actual implanted B dose was independently measured by nuclear reaction analysis. Comparable enhancements were observed from both ions. Transmission electron microscopy analysis revealed that both boron- and decaborane-implanted samples were amorphized at a nominal 10{sup 15}thinspcm{sup {minus}2}thinspB dose. A comparison with data from low energy Si implants revealed a similar dependence of diffusivity enhancement on implant dose. These findings are consistent with the understanding that TED is caused by the interstitial supersaturation resulting from a number of excess interstitials approximately equal to the number of implanted atoms which can become substitutional in the silicon lattice. Accordingly, no contribution to TED is expected from the hydrogen in the B{sub 10}H{sub 14} ions and none is observed. Furthermore, there is no detectable effect in the diffusion profiles which can be attributed to a difference in the ion damage produced by the decaborane molecule and the boron atom. In both cases the reduction in diffusivity enhancement is due only to proximity of the implantation-induced excess interstitials to the wafer surface. {copyright} {ital 1998 American Institute of Physics.}

Agarwal, A.; Gossmann, H.; Jacobson, D.C.; Eaglesham, D.J. [Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974 (United States)] [Bell Laboratories, Lucent Technologies, Murray Hill, New Jersey 07974 (United States); Sosnowski, M.; Poate, J.M. [New Jersey Institute of Technology, University Heights, Newark, New Jersey (United States)] [New Jersey Institute of Technology, University Heights, Newark, New Jersey (United States); Yamada, I.; Matsuo, J. [Kyoto University, Sakyo, Kyoto 606-01 (Japan)] [Kyoto University, Sakyo, Kyoto 606-01 (Japan); Haynes, T.E. [Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)] [Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

1998-10-01

202

Apparent Diffusion Coefficient, Fractional Anisotropy and T2 Relaxation Time Measurement

Background: Quantification of apparent diffusion coefficient (ADC), fractional anisotropy (FA), and T2 relaxation time are increasingly\\u000a important for neuroradiologic applications. A transfer of the values established for 1.5-T to 3-T MRI must be supported by\\u000a a dedicated comparison with special emphasis on possible differences in the spatial distribution.\\u000a \\u000a \\u000a \\u000a Material and Methods: In the present study, brain scans were carried out in 16

Xiao-Qi Ding; Jürgen Finsterbusch; Oliver Wittkugel; Christian Saager; Einar Goebell; Thies Fitting; Ulrich Grzyska; Hermann Zeumer; Jens Fiehler

2007-01-01

203

Diffusion coefficient and interatomic potential of He-Ar at high temperatures

NASA Astrophysics Data System (ADS)

Measurements of the mutual diffusion coefficient D12 for the He/Ar gaseous system have been extended to 2050 K, approximately 600 deg beyond any previous work. The results, obtained in a tungsten-tantalum-hafnium alloy (``T-111'') two-bulb cell, are in excellent agreement with previous studies in the 200-1400 K range. An equation is presented which has been fitted to all available published D12 results. An HFD-B interatomic potential is proposed which accurately predicts D12 within accepted experimental uncertainties.

Taylor, W. L.; Wyrick, S. B.; Hurly, J. J.; Meeks, F. R.

1990-06-01

204

In this work, we presented new experimental data of diffusion coefficients of four [Bmim (1-butyl-3-methylimidazolium)]-based ionic liquids in water at infinite dilution for temperatures ranging from 303.2 to 323.2K using Taylor dispersion technique. The investigated ILs were [Bmim][BF4 (tetrafluoroborate)], [Bmim][MeSO4 (methylsulfate)], [Bmim][PF6 (hexafluorophosphate)], and [Bmim][CF3SO3 (trifluoromethanesulfonate)]. The molar conductivities of these ionic liquids were also measured and the infinite dilution

Chun-Li Wong; Allan N. Soriano; Meng-Hui Li

2009-01-01

205

Apparent diffusion coefficient measurement in a moving phantom simulating linear respiratory motion

Purpose The aim of this study was to examine the effect of simulated linear respiratory motion on apparent diffusion coefficient (ADC)\\u000a measurements.\\u000a \\u000a \\u000a \\u000a \\u000a Materials and methods Six rectangular test tubes (14 × 92 mm) filled with either water, tomato ketchup, or mayonnaise were positioned in a box containing\\u000a agarose gel. This box was connected to a double-acting pneumatic cylinder, capable of inducing periodic

Thomas C. Kwee; Taro Takahara; Isao Muro; Marc Van Cauteren; Yutaka Imai; Rutger A. J. Nievelstein; Willem P. T. M. Mali; Peter R. Luijten

2010-01-01

206

A spatially varying mean magnetic field gives rise to so-called adiabatic focusing of energetic particles propagating through the universe. In the past, different analytical approaches have been proposed to calculate the particle diffusion coefficient along the mean field with focusing. In the present paper, we show how these different results are related to each other. New results for the parallel diffusion coefficient that are more general than previous results are also presented.

Shalchi, A.; Danos, R. J., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

2013-03-10

207

There are several empirical and semianalytical models for the satellite-based estimation of the diffuse attenuation coefficient for the downwelling spectral irradiance at the wavelength 490 nm, Kd(490), or the diffuse attenuation coefficient for the downwelling photosynthetically available radiation (PAR), Kd(PAR). An empirical algorithm has been used to routinely produce NASA standard Kd(490) product from the Moderate Resolution Imaging Spectroradiometer (MODIS).

Menghua Wang; SeungHyun Son; Lawrence W. Harding Jr

2009-01-01

208

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 co-workers revealed that phospholipid diffusion changes from raftlike to free diffusion as the temperature is increased-an insight into the dynamic behavior of hydrogel supported membranes not previously reported. PMID:23705855

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

2013-06-25

209

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

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

2013-01-01

210

Ion self-diffusion coefficients have been measured for ionic liquids based on the cations N-acetoxyethyl-N,N-dimethyl-N-ethylammonium ([N(112,2OCO1)](+)) and its non-functionalised analogue, N,N-dimethyl-N-ethyl-N-pentylammonium ([N1125](+)), and N,N-dimethyl-N-ethyl-N-methoxyethoxyethylammonium ([N(112,2O2O1)](+)), and its analogue, N,N-dimethyl-N-ethyl-N-heptylammonium ([N1127](+)) and the bis(trifluoromethanesulfonyl)amide anion. The functionalised chain on an ammonium cation has the same length, in terms of the number of atoms, as the non-functionalised chain of the corresponding analogue. For [N(112,2OCO1)][Tf2N] and [N1127][Tf2N], the cation and anion self-diffusion coefficients are equal, within experimental error, whereas for [N1125][Tf2N], the cation diffuses more quickly, and for [N(112,2O2O1)][Tf2N], it is the anion that diffuses more quickly than the ether-functionalised cation. But these differences are relatively small, just beyond experimental error. The data are used to calculate velocity cross-correlation coefficients (VCC or f(ij)) and distinct diffusion coefficients (D(ij)(d)). Both the self-diffusion and distinct diffusion coefficients are analysed in terms of (fractional) Stokes-Einstein-Sutherland equations. Though the self-diffusion coefficients, as with the conductivity and viscosity, show marked differences in absolute terms between the functionalised and non-functionalised forms, being higher for the ethoxy-substituted IL and lower for the acetoxy-substituted IL, these are largely removed by scaling with the viscosity. Thus the transport properties are better understood as functions of the viscosity rather than the temperature and density, per se. The presence of the alkoxy-substituted side chains is known to change the local mesoscopic liquid structure, but it appears once this is done, the transport properties scale correspondingly. In the case of the acetoxy-substituted IL, this is also largely the case, but the Nernst-Einstein deviation parameter, ?, which depends on the difference between the anion-cation VCC and the mean of the cation-cation and anion-anion VCCs, is smaller than that of its analogue salt, and also temperature dependent. PMID:24709921

Harris, Kenneth R; Makino, Takashi; Kanakubo, Mitsuhiro

2014-05-21

211

Charge collected by diffusion from an ion track under mixed boundary conditions

NASA Technical Reports Server (NTRS)

Charge-carrier diffusion from an ion track in a silicon substrate at least a few hundred microns thick is analyzed. The substrate upper surface is treated as reflective except for a small section, intended to represent a reverse-biased junction, which is treated as a sink. Total charge collected by the sink is calculated by assuming transport to be governed by an ambipolar diffusion equation with temporally constant and spatially uniform carrier lifetime and diffusion coefficient. Present results apply to a normally incident track but could easily be generalized to arbitrary track direction. The collected charge is found to depend on track length and on the electrostatic capacitance, rather than the area, of the sink. Theoretical predictions are compared to the results of a numerical simulation called the Poisson and Continuity Equation Solver (PISCES) for three cases and are found to agree within a factor of two in the worst case.

Edmonds, Larry D.

1991-01-01

212

NASA Technical Reports Server (NTRS)

Protons that are convected into the inner magnetosphere in response to enhanced magnetic activity can resonate with ducted plasmaspheric hiss in the outer plasmasphere via an anomalous Doppler-shifted cyclotron resonance. Plasmaspheric hiss is a right-hand-polarized electromagnetic emission that is observed to fill the plasmasphere on a routine basis. When plasmaspheric hiss is confined within field-aligned ducts or guided along density gradients, wave normal angles remain largely below 45 deg. This allows resonant interactions with ions at typical ring current and radiation belt energies to take place. Such field-aligned ducts have been observed both within the plasmasphere and in regions outside of the plasmasphere. Wave intensities are estimated using statistical information from studies of detached plasma regions. Diffusion coefficients are presented for a range of L shells and proton energies for a fixed wave distribution. Harmonic resonances in the range N = +/-100 are considered in order to include interactions between hiss at 100 Hz to 2 kHz frequencies, and protons in the energy range between approximately 10 keV and 1000 keV. Diffusion timescales are estimated to be of the order of tens of days and comparable to or shorter than lifetimes for Coulomb decay and charge exchange losses over most of the energy and spatial ranges of interest.

Kozyra, J. U.; Rasmussen, C. E.; Miller, R. H.; Lyons, L. R.

1994-01-01

213

Coefficient in Energy in Bounded Collisional Plasmas Lev D. Tsendin Abstract--The electron energies in typical gas discharge plasmas do not exceed significantly the first ionization potential. This being the case be de- scribed by a diffusion coefficient in energy . Both collisional and stochastic heating mechanisms

Kaganovich, Igor

214

Cleaning of diffusion bonding surface by argon ion bombardment treatment

NASA Astrophysics Data System (ADS)

The specimens of oxygen-free high conductivity copper, SUS304L stainless steel and pure iron were treated by argon ion bombardment and then were bonded by diffusion bonding method. The effects of argon ion bombardment treatment on faying surface morphology, tensile strength of bonding joints and inclusions at the fracture surface were investigated. The results showed that argon ion bombardment treatment was effective to remove the oxide film and contamination at the faying surface and improve the quality of joints. The tensile strength of the bonded joints was improved, and minimum bonding temperature to make the metallic bonding at the interface was lowered by argon ion bombardment treatment. At the joints with argon ion bombardment treatment, ductile fractured surface was seen and the amount of inclusions was obviously decreased.

Wang, Airu; Ohashi, Osamu; Yamaguchi, Norio; Aoki, Masanori; Higashi, Yasuo; Hitomi, Nobuteru

2003-05-01

215

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

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. PMID:24920163

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

2014-07-16

216

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

NASA Astrophysics Data System (ADS)

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.

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

217

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

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.

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

2007-10-16

218

Many-particle surface diffusion coefficients near first-order phase transitions at low temperatures

NASA Astrophysics Data System (ADS)

We analyze the chemical and jump surface diffusion coefficients, Dc and DJ, near a first-order phase transition at which two phases coexist and the surface coverage, ?, jumps between single-phase values ?-* and ?+*. Contrary to other studies, we consider temperatures that are sufficiently subcritical. Using the local equilibrium approximation, we obtain approximate analytical formulas for the dependences of Dc and DJ on the coverage and system size, N, near such a transition. In the two-phase regime, when ? ranges between ?-* and ?+*, the diffusion coefficients behave as the sums of two hyperbolas, Dc?A-/N|?-?-*|+A+/N|?-?+*| and DJ?A-|?-?+*|/?+A+|?-?-*|/?. This behavior rapidly changes as the system goes from the two-phase regime to either of the single-phase regimes (when ? goes below ?-* or above ?+*). The crossover behavior of Dc(?) and DJ(?) between the two-phase and single-phase regimes is described by rather complex formulas involving the Lambert function. We consider a lattice-gas model on a triangular lattice to illustrate these general results, applying them to four specific examples of transitions exhibited by the model.

Medved', Igor; Trník, Anton

2012-07-01

219

Background The purpose of this study was to determine a new method for the early diagnosis and assessment of mild cognitive impairment in elderly individuals with hypertension. Elderly hypertensive patients with cognitive impairment were assessed by the Montreal Cognitive Assessment (MoCA) and Clinical Dementia Rating Assessment (CDR). Cognitive results were compared to apparent diffusion coefficient (ADC) values from magnetic resonance-diffusion weighted imaging. Methods A total of 191 patients were categorized into four groups: a control group (normal cognition and no hypertension; n=20); a normal group (hypertension and normal cognition; n=33); an mild cognitive impairment group (n=80); and a vascular dementia group (n=58). The MoCA and CDR tests were used to determine cognition. ADC values in eight brain regions were calculated with magnetic resonance-diffusion weighted imaging. Other characteristics were evaluated, eg, blood pressure, MoCA, and CDR scores, and the comparisons of the four groups were made. Results The MoCA and CDR scores differed among the four groups (P<0.001). Systolic and diastolic blood pressure values increased as cognitive function declined (P<0.001). Cognitive function declined as ADC values increased, and they differed between elderly people with and without hypertension (P<0.001). Among elderly hypertensive participants, ADC values were significantly increased in the cortex and hippocampus. Conclusion The MoCA and CDR tests were sufficiently sensitive to evaluate cognition. Blood pressure was closely related to cognition, as well as to functional and structural changes in the brain. These alterations were evidenced through changes in the ADC values and were most obvious in the cortex and hippocampus. Greater cognitive decline was observed in elderly participants with hypertension compared to those without. As hypertensive stage increased, greater ADC values were observed. PMID:25114516

Zhao, Yanwei; Wu, Gang; Shi, Haiming; Xia, Zhijie; Sun, Tao

2014-01-01

220

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

NASA Astrophysics Data System (ADS)

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.

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

2013-04-01

221

NASA Astrophysics Data System (ADS)

In this paper, a new mathematical model has been presented to determine the equilibrium segregation (k0) and effective segregation (keff) coefficients for neodymium (Nd) in YAG crystal grown by Czochralski (CZ) method. Determination of diffusion coefficient (DL) of Nd impurity in molten YAG is also investigated. In this model, utilizing Lambert W-function is a new idea to solve the Scheil equation for calculation of effective segregation coefficient. The Nd concentration in the crystal has been measured by optical absorption method to calculate keff. The analyses show that the keff is related to the growth parameters such as crystal growth rate (ug) and crystal rotation rate (?), ( ug/?{?}) but it is independent of the Nd concentration in the initial melt (C0). Based on obtained keff and experimental growth data, k0 and DL of Nd in molten YAG have been calculated. For all experiments, the average value of k0=0.216 and DL=1.4×10-6 (cm2/s) are obtained. Our results are corroborated by the theoretical and experimental data from the literature.

Asadian, M.; Saeedi, H.; Yadegari, M.; Shojaee, M.

2014-06-01

222

NASA Astrophysics Data System (ADS)

In the present study, molecular dynamics (MD) simulations on the monatomic Lennard-Jones liquid in a periodic boundary system were performed in order to elucidate the effect of the computational domain size and shape on the self-diffusion coefficient measured by the system. So far, the system size dependence in cubic computational domains has been intensively investigated and these studies showed that the diffusion coefficient depends linearly on the inverse of the system size, which is theoretically predicted based on the hydrodynamic interaction. We examined the system size effect not only in the cubic cell systems but also in rectangular cell systems which were created by changing one side length of the cubic cell with the system density kept constant. As a result, the diffusion coefficient in the direction perpendicular to the long side of the rectangular cell significantly increases more or less linearly with the side length. On the other hand, the diffusion coefficient in the direction along the long side is almost constant or slightly decreases. Consequently, anisotropy of the diffusion coefficient emerges in a rectangular cell with periodic boundary conditions even in a bulk liquid simulation. This unexpected result is of critical importance because rectangular fluid systems confined in nanospace, which are present in realistic nanoscale technologies, have been widely studied in recent MD simulations. In order to elucidate the underlying mechanism for this serious system shape effect on the diffusion property, the correlation structures of particle velocities were examined.

Kikugawa, Gota; Ando, Shotaro; Suzuki, Jo; Naruke, Yoichi; Nakano, Takeo; Ohara, Taku

2015-01-01

223

The ability to estimate the diffusion coefficient of a solute within hydrogels has important application in the design and analysis of hydrogels used in drug delivery, tissue engineering, and regenerative medicine. A number of mathematical models have been derived for this purpose; however, they often rely on fitted parameters and so have limited predictive capability. Herein we assess the ability of the obstruction-scaling model to provide reasonable estimates of solute diffusion coefficients within hydrogels, as well as the assumption that a hydrogel can be represented as an entangled polymer solution of an equivalent concentration. Fluorescein isothiocyanate dextran solutes were loaded into sodium alginate solutions as well as hydrogels of different polymer volume fractions formed from photoinitiated cross-linking of methacrylate sodium alginate. The tracer diffusion coefficients of these solutes were measured using fluorescence recovery after photobleaching (FRAP). The measured diffusion coefficients were then compared to the values predicted by the obstruction-scaling model. The model predictions were within ±15% of the measured values, suggesting that the model can provide useful estimates of solute diffusion coefficients within hydrogels and solutions. Moreover, solutes diffusing in both sodium alginate solutions and hydrogels were demonstrated to experience the same degree of solute mobility restriction given the same effective polymer concentration, supporting the assumption that a hydrogel can be represented as an entangled polymer solution of equivalent concentration. PMID:25499554

Hadjiev, Nicholas A; Amsden, Brian G

2015-02-10

224

In the present study, molecular dynamics (MD) simulations on the monatomic Lennard-Jones liquid in a periodic boundary system were performed in order to elucidate the effect of the computational domain size and shape on the self-diffusion coefficient measured by the system. So far, the system size dependence in cubic computational domains has been intensively investigated and these studies showed that the diffusion coefficient depends linearly on the inverse of the system size, which is theoretically predicted based on the hydrodynamic interaction. We examined the system size effect not only in the cubic cell systems but also in rectangular cell systems which were created by changing one side length of the cubic cell with the system density kept constant. As a result, the diffusion coefficient in the direction perpendicular to the long side of the rectangular cell significantly increases more or less linearly with the side length. On the other hand, the diffusion coefficient in the direction along the long side is almost constant or slightly decreases. Consequently, anisotropy of the diffusion coefficient emerges in a rectangular cell with periodic boundary conditions even in a bulk liquid simulation. This unexpected result is of critical importance because rectangular fluid systems confined in nanospace, which are present in realistic nanoscale technologies, have been widely studied in recent MD simulations. In order to elucidate the underlying mechanism for this serious system shape effect on the diffusion property, the correlation structures of particle velocities were examined. PMID:25591368

Kikugawa, Gota; Ando, Shotaro; Suzuki, Jo; Naruke, Yoichi; Nakano, Takeo; Ohara, Taku

2015-01-14

225

Conformational Changes of PYP Monitored by Diffusion Coefficient: Effect of N-Terminal ?-Helices

Conformational changes in the light illuminated intermediate (pB) of photoactive yellow protein (PYP) were studied from a viewpoint of the diffusion coefficient (D) change of several N-truncated PYPs, which lacked the N-terminal 6, 15, or 23 amino acid residues (T6, T15, and T23, respectively). For intact PYP (i-PYP), D of pB (DpB) was ?11% lower than that (DpG) of the ground state (pG) species. The difference in D (DpG ? DpB) decreased upon cleavage of the N-terminal region in the order of i-PYP>T6>T15>T23. This trend clearly showed that conformational change in the N-terminal group is the main reason for the slower diffusion of pB. This slower diffusion was interpreted in terms of the unfolding of the two ?-helices in the N-terminal region, increasing the intermolecular interactions due to hydrogen bonding with water molecules. The increase in friction per one residue by the unfolding of the ?-helix was estimated to be 0.3 × 10?12 kg/s. The conformational change in the N-terminal group upon photoillumination is discussed. PMID:16500975

Khan, Javaid Shahbaz; Imamoto, Yasushi; Harigai, Miki; Kataoka, Mikio; Terazima, Masahide

2006-01-01

226

NASA Astrophysics Data System (ADS)

This work proposes an isotropic diffusion weighting method for a high-resolution diffusion-weighted image and for a high-resolution apparent diffusion coefficient (ADC) map using a single radial scan in MRI. By using a conventional radial imaging technique, a high-resolution diffusion-weighted (DW) image can be obtained at the cost of a long imaging time. To reduce the imaging time, the proposed method acquires a DW image by altering the diffusion gradient directions for each radial spoke. The acquisition order and directions of the diffusion gradients for an accurate DW image and an ADC map are also proposed by modifying the golden angle ratio in 3D space. In addition, an individual-direction diffusion-weighted (id-DW) image can also be obtained by a diffusion gradient direction, which is one of the multiple directions used in isotropic diffusion weighting. Computer simulations and experiment results show that the proposed method is more accurate and faster than the conventional radial diffusion-weighted imaging. This study suggests that the proposed isotropic diffusion-weighted imaging can be used to obtain a DW image and a high-resolution ADC map accurately in a single radial scan, while reducing the artifacts caused by the diffusion anisotropy, compared to the diffusion-weighted echo-planar-imaging.

Seo, Hyunseok; Choi, Joonsung; Oh, Changheun; Han, Yeji; Park, HyunWook

2014-10-01

227

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

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.

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

2004-01-01

228

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

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

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

2004-01-01

229

Supratentorial cerebral infarction can cause functional inhibition of remote regions such as the cerebellum, which may be relevant to diaschisis. This phenomenon is often analyzed using positron emission tomography and single photon emission CT. However, these methods are expensive and radioactive. Thus, the present study quantified the changes of infarction core and remote regions after unilateral middle cerebral artery occlusion using apparent diffusion coefficient values. Diffusion-weighted imaging showed that the area of infarction core gradually increased to involve the cerebral cortex with increasing infarction time. Diffusion weighted imaging signals were initially increased and then stabilized by 24 hours. With increasing infarction time, the apparent diffusion coefficient value in the infarction core and remote bilateral cerebellum both gradually decreased, and then slightly increased 3–24 hours after infarction. Apparent diffusion coefficient values at remote regions (cerebellum) varied along with the change of supratentorial infarction core, suggesting that the phenomenon of diaschisis existed at the remote regions. Thus, apparent diffusion coefficient values and diffusion weighted imaging can be used to detect early diaschisis. PMID:25206615

Yang, Yunjun; Gao, Lingyun; Fu, Jun; Zhang, Jun; Li, Yuxin; Yin, Bo; Chen, Weijian; Geng, Daoying

2013-01-01

230

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-state diffusion should be solved in the pseudo second dimension r in the electrode. Li-ions diffuse intercalateEfficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models

Subramanian, Venkat

231

Theoretical calculations of the self-reflection coefficients for some species of ions

NASA Astrophysics Data System (ADS)

The bipartition model of ion transport has been applied to study the self-reflection coefficients of some species of ion beams which are normally incident to a surface. The computational results has been compared with the results taken from Eckstein and Biersack and the compilation data given by Thomas, Janev and Smith. It was found that there are in reasonable agreement between the results given by the bipartition model and the results given by Monte Carlo method.

Luo, Z. M.; Gou, C.; Hou, Q.

2002-06-01

232

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.

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

233

The nature of brain edema in dialysis disequilibrium syndrome (DDS) was investigated by diffusion-weighted magnetic resonance imaging (DWI). DWI was performed on normal or bilaterally nephrectomized rats before, and immediately after, hemodialysis. Hemodialysis was performed with a custom-made dialyzer (surface area 150 cm2) against a bicarbonate-buffered bath for 90 min with or without 70 mM urea. Hemodialysis with non-urea bath decreased plasma urea by 21 mM, and plasma osmolality by 22 mosmol/kg H2O, and increased brain water content by 8.0% (all < 0.05), while hemodialysis with urea bath did not affect plasma urea, osmolality, or brain water content. Three sets of axial DWI images of the brain were obtained at different gradient weighing factors with an in-plane resolution of 0.39 mm2. The apparent diffusion coefficient (Dapp) of the brain water was not affected by bilateral nephrectomy, or by hemodialysis in normal rats. In nephrectomized rats, brain Dapp was significantly increased after dialysis with non-urea bath (1.15 +/- 0.08 vs 0.89 +/- 0.07 x 10(-9)m2/sec, P < 0.01). No significant changes of brain water Dapp could be observed after dialysis with urea bath. The increased Dapp associated with DDS indicates that brain extracellular water increases and/or intracellular water decreases after hemodialysis. Our results strongly suggest that the brain edema induced by hemodialysis in uremic rats is due to interstitial edema rather than cytotoxic edema. Furthermore, our results support a primary role for the "reverse urea effect" in the pathogenesis of brain edema in DDS.DWI may be a useful diagnostic tool for DDS in patients with end-stage renal disease. PMID:8698867

Galons, J P; Trouard, T; Gmitro, A F; Lien, Y H

1996-01-01

234

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

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

235

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

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

236

Diffusion of non-Gaussianity in heavy ion collisions

NASA Astrophysics Data System (ADS)

We investigate the time evolution of higher order cumulants of bulk fluctuations of conserved charges in the hadronic stage in relativistic heavy ion collisions. The dynamical evolution of non-Gaussian fluctuations is modeled by the diffusion master equation. Using this model we predict that the fourth-order cumulant of net-electric charge is suppressed compared with the recently observed second-order one at ALICE for a reasonable parameter range. Significance of the measurements of various cumulants as functions of rapidity window to probe dynamical history of the hot medium created by heavy ion collisions is emphasized.

Kitazawa, Masakiyo; Asakawa, Masayuki; Ono, Hirosato

2014-05-01

237

NASA Astrophysics Data System (ADS)

Through the observation of the pore structure and mercury intruding porosimetry (MIP) experiments of some typical porous building materials, we found that the diffusion coefficient of the material can be expressed by that of a representative elementary volume (REV) in which the pore structure can be simplified as a connection in series of macro and meso pores. Based upon that, a macro-meso two-scale model for predicting the diffusion coefficient of porous building materials is proposed. In contrast to the traditional porous mass transfer model for determining the diffusion coefficient described in the literature [Blondeau, P., Tiffonnet, A.L., Damian, A., Amiri, O., Molina, J.L., 2003. Assessment of contaminant diffusivities in building materials from porosimetry tests. Indoor Air 13, 302-310; Seo, J., Kato, S., Ataka, Y., Zhu, Q., 2005. Evaluation of effective diffusion coefficient in various building materials and absorbents by mercury intrusion porosimetry. In Proceedings of the Indoor Air, Beijing, China, pp. 1854-1859], the proposed model relates the volatile organic compound (VOC) diffusion coefficient of building material not only to the porosity of the building material, but also to the pore size distribution and pore connection modes. To verify the model, a series of experiments of VOC emissions of three types of medium-density board were conducted. The comparison of the model and experimental results shows that the proposed model agrees much better with the experimental results than the traditional models in the literature. More validation for other building materials is needed. The proposed model is useful for predicting the VOC diffusion coefficient of porous building materials and for developing low VOC emission building materials.

Xiong, Jianyin; Zhang, Yinping; Wang, Xinke; Chang, Dongwu

238

NASA Astrophysics Data System (ADS)

Modeling isotopic signatures in systems affected by diffusion, advection, and a reaction which modifies the isotopic abundance of a given species, is a discipline in its infancy. Traditionally, much emphasis has been placed on kinetic isotope effects during biochemical reactions, while isotope effects caused by isotope specific diffusion coefficients have been neglected. A recent study by Donahue et al. (2008) suggested that transport related isotope effects may be of similar magnitude as microbially mediated isotope effects. Although it was later shown that the assumed differences in the isotope specific diffusion coefficients were probably overstated by one or two orders of magnitude ( Bourg, 2008), this study raises several important issues: (1) Is it possible to directly calculate isotopic enrichment factors from measured concentration data without modeling the respective system? (2) Do changes in porosity and advection velocity modulate the influence of isotope specific diffusion coefficients on the fractionation factor ?? (3) If one has no a priori knowledge whether diffusion coefficients are isotope specific or not, what is the nature and magnitude of the error introduced by either assumption? Here we argue (A) That the direct substitution of measured data into a differential equation is problematic and cannot be used as a replacement for a reaction-transport model; (B) That the transport related fractionation scales linearly with the difference between the respective diffusion coefficients of a given isotope system, but depends in a complex non-linear way on the interplay between advection velocity, and downcore changes of temperature and porosity. Last but not least, we argue that the influence of isotope specific diffusion coefficients on microbially mediated sulfate reduction in typical marine sediments is considerably smaller than the error associated with the determination of the fractionation factor.

Wortmann, Ulrich G.; Chernyavsky, Boris M.

2011-06-01

239

Curing and diffusion coefficient study in past?rma, a Turkish traditional meat product.

Changes in water activity (a(w)), moisture and salt contents and salt effective diffusion coefficients (D(eff)) of past?rma samples during the curing process were determined. At the end of the curing stage, a(w) values decreased to 0.942. The average initial moisture content of the samples decreased from 74.56% to 66.64%, depending on the curing time and the average salt content increased to 15.65 g NaCl/100 g dry matter at the end of the 48-hour curing process. Past?rma samples were assumed the geometry of endless slices, and the analytical solution of Fick's second equation was used for determination of salt D(eff) values. Salt D(eff) values were found to vary between 1.49×10(-9)-4.08×10(-9) m(2)/s. PMID:23927919

Akköse, Ahmet; Akta?, Nesimi

2014-01-01

240

A comparative study on temperature dependent diffusion coefficient of liquid Fe

NASA Astrophysics Data System (ADS)

The self-diffusion coefficients, D, of liquid Fe at different temperatures have been investigated using hard sphere (HS) theory and universal scaling laws (USLs). Inter-ionic interaction is derived from both pseudopotential proposed by Brettonet-Silbert (BS) and many body potential obtained from embedded atom method (EAM). Temperature dependent effective HS diameter, ?(T), and excess entropy, Sex, are the premier ingredients of the study. The former ingredient is calculated using both variational modified hypernetted chain, VMHNC, integral equation theory and Linearized Weeks-Chandler-Andersen, LWCA, thermodynamic perturbation theory together with an empirical relation of Protopapas et al. (1973) [2] whereas the later one is calculated using VMHNC theory alone, with BS and EAM potentials. We observe that D increases with increasing temperatures. The obtained results are compared with those predicted by Protopapas et al. The comparison suggests that USL of Dzugutov and HS theory with BS potential are better choices to predict D(T) of liquid Fe.

Gosh, R. C.; Syed, Ishtiaque M.; Amin, Zahurul; Bhuiyan, G. M.

2013-10-01

241

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

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.

Ruffino, F., E-mail: francesco.ruffino@ct.infn.it; Cacciato, G.; Grimaldi, M. G. [Dipartimento di Fisica ed Astronomia-Universitá di Catania, via S. Sofia 64, 95123 Catania, Italy and MATIS IMM-CNR, via S. Sofia 64, 95123 Catania (Italy)

2014-02-28

242

Objective To perform a meta-analysis exploring the correlation between the apparent diffusion coefficient (ADC) and tumor cellularity in patients. Materials and Methods We searched medical and scientific literature databases for studies discussing the correlation between the ADC and tumor cellularity in patients. Only studies that were published in English or Chinese prior to November 2012 were considered for inclusion. Summary correlation coefficient (r) values were extracted from each study, and 95% confidence intervals (CIs) were calculated. Sensitivity and subgroup analyses were performed to investigate potential heterogeneity. Results Of 189 studies, 28 were included in the meta-analysis, comprising 729 patients. The pooled r for all studies was ?0.57 (95% CI: ?0.62, ?0.52), indicating notable heterogeneity (P<0.001). After the sensitivity analysis, two studies were excluded, and the pooled r was ?0.61 (95% CI: ?0.66, ?0.56) and was not significantly heterogeneous (P?=?0.127). Regarding tumor type subgroup analysis, there were sufficient data to support a strong negative correlation between the ADC and cellularity for brain tumors. There was no notable evidence of publication bias. Conclusions There is a strong negative correlation between the ADC and tumor cellularity in patients, particularly in the brain. However, larger, prospective studies are warranted to validate these findings in other cancer types. PMID:24244402

Bao, Jing; Xia, Yunbao; Zhang, Jiuquan; Zhang, Lin; Huang, Xuequan; Wang, Jian

2013-01-01

243

NASA Astrophysics Data System (ADS)

Modulated photothermal radiometry (PTR) has been widely used to measure the thermal diffusivity of bulk materials. The method is based on illuminating the sample with a plane light beam and measuring the infrared emission with an infrared detector. The amplitude and phase of the PTR voltage is recorded as a function of the modulation frequency and then fitted to the theoretical model. In this work, we test the ability of modulated PTR to retrieve simultaneously the thermal diffusivity and the optical absorption coefficient of homogeneous slabs. In order to eliminate the instrumental factor, self-normalization is used, i.e., the ratio of the PTR signal recorded at the rear and front surfaces. The influence of the multiple reflections of the light beam, the heat losses, and the transparency to infrared wavelengths are analyzed. Measurements performed on a wide variety of homogeneous materials, covering the whole range from transparent to opaque, confirm the validity of the method. In Part II of this work, the method is extended to multilayered materials.

Fuente, Raquel; Apiñaniz, Estibaliz; Mendioroz, Arantza; Salazar, Agustín

2011-08-01

244

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

NASA Astrophysics Data System (ADS)

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.

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

2013-12-01

245

Spreading waves of a reduced diffusion coefficient of water in normal and ischemic rat brain.

Using echo planar diffusion-weighted magnetic resonance imaging, we measured three-dimensional changes in the apparent diffusion coefficient (ADC) of water in eight contiguous coronal slices, encompassing the entire rat brain, before and after local cortical stimulation. We applied chemical (potassium chloride application; n = 6) and mechanical (needle stab; n = 4) stimulations to the right posterior parietal rat cortex. In all animals in which potassium chloride or the needle stab was applied, a region of decreased ADC values to a mean of 0.45 +/- 0.03 x 10(-5)cm2/s occurred. These reduced ADC levels appeared in the posterior parietal cortex within 1 min after cortical stimulation and the change recovered within 1 min. Then a ripple-like movement of similar changes developed across the unilateral cortex. This change was localized to the cortex and no significant ADC changes occurred in subcortical structures. The propagating speed of this movement was 3.4 +/- 0.5 mm/min. These findings are compatible with spreading depression as observed electrophysiologically. Similar ADC changes occurred in areas distinct from the ischemic lesion in 3 of 12 animals subjected to focal cerebral ischemia. This magnetic resonance method could detect spreading ADC decline if it occurred in human diseases including brain ischemia. PMID:7860651

Hasegawa, Y; Latour, L L; Formato, J E; Sotak, C H; Fisher, M

1995-03-01

246

A new coarse-grained model of the E. coli cytoplasm is developed by describing the proteins of the cytoplasm as flexible units consisting of one or more spheres that follow Brownian dynamics (BD), with hydrodynamic interactions (HI) accounted for by a mean-field approach. Extensive BD simulations were performed to calculate the diffusion coefficients of three different proteins in the cellular environment. The results are in close agreement with experimental or previously simulated values, where available. Control simulations without HI showed that use of HI is essential to obtain accurate diffusion coefficients. Anomalous diffusion inside the crowded cellular medium was investigated with Fractional Brownian motion analysis, and found to be present in this model. By running a series of control simulations in which various forces were removed systematically, it was found that repulsive interactions (volume exclusion) are the main cause for anomalous diffusion, with a secondary contribution from HI. PMID:25180859

Hasnain, Sabeeha; McClendon, Christopher L.; Hsu, Monica T.; Jacobson, Matthew P.; Bandyopadhyay, Pradipta

2014-01-01

247

Apparent diffusion coefficient values of normal testis and variations with age

The usefulness of diffusion-weighted magnetic resonance imaging (DWI) in the evaluation of scrotal pathology has recently been reported. A standard reference of normal testicular apparent diffusion coefficient (ADC) values and their variations with age is necessary when interpreting normal testicular anatomy and pathology. We evaluated 147 normal testes using DWI, including 71 testes from 53 men aged 20–39 years (group 1), 67 testes from 42 men aged 40–69 years (group 2) and nine testes from six men older than 70 years (group 3). DWI was performed along the axial plane, using a single shot, multislice spin-echo planar diffusion pulse sequence and b-values of 0 and 900 s mm?2. The mean and standard deviation of the ADC values of normal testicular parenchyma were calculated for each age group separately. Analysis of variance (ANOVA) followed by post hoc analysis (Dunnett T3) was used for statistical purposes. The ADC values (× 10?3 mm2 s?1) of normal testicular tissue were different among age groups (group 1: 1.08 ± 0.13; group 2: 1.15 ± 0.15 and group 3: 1.31 ± 0.22). ANOVA revealed differences in mean ADC among age groups (F = 11.391, P < 0.001). Post hoc analysis showed differences between groups 1 and 2 (P = 0.008) and between groups 1 and 3 (P = 0.043), but not between groups 2 and 3 (P = 0.197). Our findings suggest that ADC values of normal testicular tissue increase with advancing age. PMID:24556745

Tsili, Athina C; Giannakis, Dimitrios; Sylakos, Anastasios; Ntorkou, Alexandra; Astrakas, Loukas G; Sofikitis, Nikolaos; Argyropoulou, Maria I

2014-01-01

248

First-principles binary diffusion coefficients for H, H?, and four normal alkanes + N?.

Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. 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 + N2 and H2 + N2 and with recent experimental results for CnH(2n+2) + N2, 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(-12) repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (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 + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R(-12) interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, 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 + N2. 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 + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%. PMID:25273443

Jasper, Ahren W; Kamarchik, Eugene; Miller, James A; Klippenstein, Stephen J

2014-09-28

249

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

Olson, A; Pugh, E N

1993-01-01

250

First-principles binary diffusion coefficients for H, H2, and four normal alkanes + N2

NASA Astrophysics Data System (ADS)

Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. 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 + N2 and H2 + N2 and with recent experimental results for CnH2n+2 + N2, 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-12 repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (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 + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R-12 interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, 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 + N2. 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 + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%.

Jasper, Ahren W.; Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.

2014-09-01

251

NASA Astrophysics Data System (ADS)

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.

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

2006-02-01

252

Confocal micro-Raman spectroscopy is employed to study the diffusion process of dimethyl sulfoxide (DMSO) in porcine skin optical clearing. The variation of DMSO concentration with time at different depths of the skin was obtained and then the DMSO diffusion coefficient with the passive diffusion model was calculated. Results show that it has a significant difference at different depths of the skin. Also, the DMSO concentration with the depth at different times was obtained and the same method was used to find the change law of the DMSO diffusion coefficient. Results indicate that it also changes with the treatment time. The experimental results are consistent with the theoretical model in a previous study. The current results demonstrate that Raman spectroscopy has the ability to quantitatively monitor the process of optical clearing. PMID:23416924

Liu, Ping; Huang, Yanyue; Guo, Zhouyi; Wang, Jianping; Zhuang, Zhengfei; Liu, Songhao

2013-02-01

253

NASA Astrophysics Data System (ADS)

In this study, a Mach-Zehnder interferometer that is equipped with two lasers of different wavelengths was used to conduct high resolution measurements of concentration profiles of a ternary mixture inside a diffusion cell. Windowed Fourier transform along with an advanced unwrapping procedure was employed to extract the phase image from fringe images. Then the phase difference was obtained for a spatial resolution of 1920×1240. According to the measured refractive index profile, concentration contours of two components (out of three) were measured. Consequently, the concentration profile of the third components was calculated. Previously, the analytical solution for binary mixtures was used to estimate only the pure diffusion coefficients. In this study, for the first time, the refractive indices measured by two lasers along with the analytical solution for the ternary system, based on Fick's law, and an evolutionary algorithm (EA) known as a genetic algorithm (GA) were employed to measure the pure and cross diffusion coefficients of a transparent ternary mixture simultaneously. The optimization method to estimate diffusion coefficients was tested against various objective functions, and the best approach was that which was proposed herein. In order to validate the proposed measurement method, the experimental results of the Selectable Optical Diagnostics Instrument-Diffusion Coefficients in Mixtures (SODI-DCMIX1 project) on board the International Space Station (ISS) were analyzed using this technique and the obtained results were compared with previous techniques.

Ahadi, Amirhossein; Saghir, M. Ziad

2014-08-01

254

NASA Astrophysics Data System (ADS)

Two single crystals of the same ingot and a polycrystal with compositions close to CuIn2Te3.5, CuIn3Te5 and CuIn4Te6, respectively, have been studied using impedance spectroscopy at different temperatures in the 20-120 °C range. The negative imaginary impedance part, -Z**, as a function of the real impedance part, Z*, (Nyquist plots) can be fitted to one or two semicircles associated with the Warburg diffusion and related one or two mobile ions, depending on the slice composition. In dc current and using the current intensity decay method at 20 °C, the conductivity as a function of time permits one to compute the diffusion coefficients of one or two mobile ions observed in impedance spectroscopy. The diffusion coefficients of the Cu ion are higher than those in CuInSe2 and are associated with the number of copper vacancies, VCu, and indium-copper antisites, InCu, in the Cu sublattice. EDAX measurements in the slice profile, before and after the electrical analysis, confirm a massive motion of Cu atoms along the slice thickness. In all samples, there is a region with composition close to CuIn1.7Te3 and a new atomic distribution, different in each sample depending on the initial composition and their structure. The ionic motion permits one to understand the behaviour of chalcopyrite thin films when they are grown with a composition gradient (from a Cu-rich chalcopyrite to an In-rich one).

Diaz, R.; Cervera, M.; Rueda, F.

2012-06-01

255

NASA Astrophysics Data System (ADS)

Two parameterizations of the resonant wave-particle interactions of electrons with ULF waves in the magnetosphere by Brautigam and Albert [2000] and Ozeke et al. [2012] are evaluated using the Versatile Electron Radiation Belt (VERB) diffusion code to estimate the effect of changing a diffusion coefficient on the radiation belt simulation. The period of investigation includes geomagnetically quiet and active time. The simulations take into account wave-particle interactions represented by radial diffusion transport, local acceleration, losses due to pitch-angle diffusion, and mixed diffusion. 1. Brautigam, D. H., and J. M. Albert (2000), Radial diffusion analysis of outer radiation belt electrons during the October 9, 1990, magnetic storm, J. Geophys. Res., 105(A1), 291-309, doi:10.1029/1999JA900344 2. Ozeke, L. G., I. R. Mann, K. R. Murphy, I. J. Rae, D. K. Milling, S. R. Elkington, A. A. Chan, and H. J. Singer (2012), ULF wave derived radiation belt radial diffusion coefficients, J. Geophys. Res., 117, A04222, doi:10.1029/2011JA017463.

Drozdov, Alexander; Mann, Ian; Baker, Daniel N.; Subbotin, Dmitriy; Ozeke, Louis; Shprits, Yuri; Kellerman, Adam

256

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

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.

E. Trizac; G. Tellez

2007-04-04

257

NASA Technical Reports Server (NTRS)

We consider an ion transport equation describing the source, convection, adiabatic acceleration, and quasi-linear velocity diffusion of cometary pickup ions. The equation is solved numerically along solar wind plasma flow lines for the environment of Comet Halley, to obtain distributions at positions on the Giotto spacecraft trajectory which may be compared with observations. We obtain full two-dimensional (pitch angle and velocity) numerical distributions which show pitch angle scattering about the wave scattering centers at +/- V(A), where V(A) is the Alfven wave speed in the solar wind frame. Peak ion phase-space densities approximately follow the bispherical shell geometry. The energy distributions F(v) agree well with Giotto observations at lower v, but in the high-energy tail there is evidence possibly for the first-order Fermi acceleration mechanism taking place in the Comet Halley foreshock region.

Huddleston, D. E.; Coates, A. J.; Johnstone, A. D.

1992-01-01

258

An interferometric technique has been used to measure the swelling of a paint film caused by its absorption of water vapour. The diffusion coefficient of water in paint is obtained from the time evolution of the thickness of the paint film, when the paint film is subjected to an almost stepwise change in the relative humidity of the surrounding air.

E. L. J. Goossens; A. J. J. van der Zanden; H. L. M. Wijen; W. H. van der Spoel

2003-01-01

259

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...

260

Error expressions derived from the commonly used equations of electroanalytical chemistry using Taylor's series show how a calculated value of n, the number of electrons transferred, depends on the error in D, the diffusion coefficient. The error relationships for chronoamperometry, polarography, chronopotentiometry, and voltammetry at stationary and rotated-disk electrodes are given. It is found that when the relative error in

Newton C. Fawcett; Roy D. Caton Jr

1981-01-01

261

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.

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

2008-01-01

262

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.

Majer, G., E-mail: majer@is.mpg.de [Max Planck Institute for Intelligent Systems, Heisenbergstr. 3, 70569 Stuttgart (Germany); Melchior, J. P. [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany)] [Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart (Germany)

2014-03-07

263

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.

Bobrov, A. A. [Moscow Engineering Physics Institute (State University) (Russian Federation); Bronin, S. Ya. [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation); Zelener, B. B. [Moscow Engineering Physics Institute (State University) (Russian Federation)], E-mail: bobozel@mail.ru; Zelener, B. V. [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation); Manykin, E. A. [Moscow Engineering Physics Institute (State University) (Russian Federation)

2008-07-15

264

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

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.

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

2009-01-11

265

Spreading waves of decreased diffusion coefficient after cortical stimulation in the rat brain.

A method is demonstrated for the noninvasive detection and study of spreading cortical depression. Spreading depression (SD) was elicited in rats by topical application of potassium chloride to the exposed cortex. The apparent diffusion coefficient (Dapp) of water in a region of the cortex, measured using a PFG-NMR spin echo sequence with an observation time of 40 ms, declines 35% within 30 s and recovers to the normal value within the next 30 s. The region of decreased Dapp was shown to be 2 mm in size and to move in the cortex, away from the point of application, with a uniform velocity of 3.3 +/- 0.5 mm/min. The behavior of the affected region is consistent with other reports of the behavior of SD as monitored by electrophysiological means. The technique can be implemented on currently available MRI equipment and makes possible the noninvasive study of SD in animal models of neurological disorders, their therapeutic intervention, and possibly the study of SD in humans. PMID:7968441

Latour, L L; Hasegawa, Y; Formato, J E; Fisher, M; Sotak, C H

1994-08-01

266

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

NASA Technical Reports Server (NTRS)

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.

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

1996-01-01

267

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

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.

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

1986-03-01

268

Solvent Diffusion Model for Aging of Lithium-Ion Battery Cells Harry J. Ploehn,z

model of solvent diffusion describing the growth of solid-electrolyte inter- faces SEIs in Li-ion cells of prototype Li-ion cells validates the solvent diffusion model. We use the model to estimate SEI thickness electronically February 11, 2004. Various mechanisms for capacity loss in Li-ion cells, including electrode

269

NASA Technical Reports Server (NTRS)

Experimental studies of self-diffusion isotopes in silicate melts often have quite large uncertainties when comparing one study to another. We designed an experiment in order to improve the precision of the results by simultaneously studying several elements (Mg, Ca, Sr, Ba) during the same experiment thereby greatly reducing the relative experimental uncertainties. Results show that the uncertainties on the diffusion coefficients can be reduced to 10 percent, allowing a more reliable comparison of differences of self-diffusion coefficients of the elements. This type of experiment permits us to study precisely and simultaneously several elements with no restriction on any element. We also designed an experiment to investigate the possible effects of multicomponent diffusion during Mg self-diffusion experiments by comparing cases where the concentrations of the elements and the isotopic compositions are different. The results suggest that there are differences between the effective means of transport. This approach should allow us to investigate the importance of multicomponent diffusion in silicate melts.

Paillat, O.; Wasserburg, G. J.

1993-01-01

270

Absolute rate coefficients for the recombination of open f-shell tungsten ions

NASA Astrophysics Data System (ADS)

We have carried out direct measurements of the absolute recombination rate coefficients of four charge states of tungsten in the range from W18+ to W21+ in a heavy ion storage ring. We find that the rich atomic fine structure of the open f-shell leads to very high resonant enhancement of the recombination rate at energies below ~50 eV. Even in the higher energy domain relevant to fusion plasma this leads to a recombination rate coefficient that is more than four times higher than predicted by the commonly used ADAS database of recombination rates. In addition to the experimental measurements we have carried out theoretical calculations using Autostructure. For W20+ these predict a plasma recombination rate coefficient that agrees much better with the measurement than the ADAS model but still fail to reproduce the experimental data in detail.

Krantz, C.; Spruck, K.; Badnell, N. R.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Novotný, O.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.

2014-04-01

271

NASA Astrophysics Data System (ADS)

NASICON-type Na3V2(PO4)2F3 is employed as a promising cathode for sodium-ion batteries in order to explore the ion-migration mechanism and diffusion capability. Two kinds of Na sites, namely Na(1) site and Na(2) site exist in the crystal structure per formula unit to accommodate a total of three sodium ions. The ion at Na(2) site with half occupation extracts first and inserts the last due to its high chemical potential, while the whole extraction/insertion of two ions between 1.6 and 4.6 V vs. Na+/Na can produce three plateaus in charge/discharge processes because of the reorganization of ions. The first discharge capacity of 111.6 mAh g-1 with retention of 97.6% after 50 cycles could be obtained by electrochemical testing at 0.091C. Electrochemical activation and/or structural reorganization of the system by cycling could improve the diffusion coefficient of sodium with a comparatively large magnitude of 10-12 cm2 s-1, though many influences on the resistance factors also can be attributed to the cycling process. Such work is of fundamental importance to the progression of sodium-based batteries to be fully realized and be implemented over existing Li-ion based batteries.

Song, Weixin; Ji, Xiaobo; Wu, Zhengping; Yang, Yingchang; Zhou, Zhou; Li, Fangqian; Chen, Qiyuan; Banks, Craig E.

2014-06-01

272

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. ...

Moore, Charles J. (Charles Jacob)

2012-01-01

273

Diffusion of small molecules into glassy polymers is quite complicated and almost always non-Fickian. Little work has been done with the diffusion of low molecular weight polymers that are liquids at room temperature (such as poly(dodecyl acrylate)) into their miscible monomers. We have studied three molecular weights under 20 000 to determine if poly(dodecyl acrylate) diffusion into dodecyl acrylate could be treated with Fick's law and if so to determine the values of the diffusion coefficients. We compare two methods for measuring the diffusion of dodecyl acrylate into poly(dodecyl acrylate): We used laser line deflection (Wiener's method) and improved upon the method from published reports. We also used the dependence of pyrene's fluorescence on the viscosity to measure the concentration distribution, and thus to extract the diffusion coefficient. After an initial relaxation period, diffusion in all cases followed Fick's law with a single concentration-independent diffusion coefficient. Comparison of the diffusion coefficients obtained by both methods yielded the same order of magnitude for the diffusion coefficients (10(-7) cm2/s) and showed the same trend in the dependence on the average molecular weight of the polymer (a decrease in the diffusion coefficient with an increase in the molecular weight). PMID:16852454

Antrim, Daniel; Bunton, Patrick; Lewis, Lydia Lee; Zoltowski, Brian D; Pojman, John A

2005-06-16

274

NASA Astrophysics Data System (ADS)

A method is presented to obtain ion chamber calibration coefficients relative to secondary standard reference chambers in electron beams using depth-ionization measurements. Results are obtained as a function of depth and average electron energy at depth in 4, 8, 12 and 18 MeV electron beams from the NRC Elekta Precise linac. The PTW Roos, Scanditronix NACP-02, PTW Advanced Markus and NE 2571 ion chambers are investigated. The challenges and limitations of the method are discussed. The proposed method produces useful data at shallow depths. At depths past the reference depth, small shifts in positioning or drifts in the incident beam energy affect the results, thereby providing a built-in test of incident electron energy drifts and/or chamber set-up. Polarity corrections for ion chambers as a function of average electron energy at depth agree with literature data. The proposed method produces results consistent with those obtained using the conventional calibration procedure while gaining much more information about the behavior of the ion chamber with similar data acquisition time. Measurement uncertainties in calibration coefficients obtained with this method are estimated to be less than 0.5%. These results open up the possibility of using depth-ionization measurements to yield chamber ratios which may be suitable for primary standards-level dissemination.

Muir, B. R.; McEwen, M. R.; Rogers, D. W. O.

2014-10-01

275

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.

Mónika Valiskó; Dezs? Boda

2014-09-15

276

This study investigated several knowledge gaps with respect to the diffusive gradients in thin films (DGT) technique for measurement of oxyanions (As(III), As(V), Se(IV), Se(VI), PO4(3-), and V(V)) using the ferrihydrite and Metsorb™ binding layers. Elution efficiencies for each binding layer were higher with 1:20 dilutions, as analytical interferences for ICP-MS were minimised. Diffusion coefficients measured by diffusion cell and by DGT time-series experiments were found to agree well and generally agreed with previously reported values, although a range of diffusion coefficients have been reported for inorganic As and Se species. The relative binding affinity for both ferrihydrite and Metsorb™ was PO4(3-) ? As(V)>V(V) ? As(III)>Se(IV) > Se(VI) and effective binding capacities were measured in single ion solutions, and spiked synthetic freshwater and seawater, advising practical decisions about DGT monitoring. Under the conditions tested the performance of both ferrihydrite and Metsorb™ binding layers was directly comparable for As(V), As(III) Se(IV), V(V) and PO4(3-) over a deployment spanning ? 2 days for both freshwater and seawater. In order to return quantitative data for several analytes we recommend that the DGT method using either ferrihydrite or Metsorb™ be deployed for a maximum of 2 days in marine waters likely to contain high levels of the most strongly adsorbing oxyanions contaminants. The high pH, the competitive ions present in seawater and the identity of co-adsorbing ions affect the capacity of each binding layer for the analytes of interest. In freshwaters, longer deployment times can be considered but the concentration and identity of co-adsorbing ions may impact on quantitative uptake of Se(IV). This study found ferrihydrite-DGT outperformed Metsorb-DGT while previous studies have found the opposite, with variation in binding materials masses used being a likely reason. Clearly, preparation of both binding layers should always be optimised to produce the highest capacity possible, especially for seawater deployments. PMID:24216197

Price, Helen L; Teasdale, Peter R; Jolley, Dianne F

2013-11-25

277

Molecular and Thermal Diffusion Coefficients of Alkane-Alkane and Alkane-Aromatic Binary Mixtures decane-normal alkanes and methylnaphthalene-normal alkanes are measured at atmospheric pressure and T ) 25 Â°C. The normal alkanes used in this work include nC5-nC20. Thermal diffusion coefficients were

Firoozabadi, Abbas

278

Matrix diffusion is an important transport process in geologic materials of low hydraulic conductivity. For predicting the fate and transport of contaminants, a detailed understanding of the diffusion processes in natural porous media is essential. In this study, diffusive tracer transport (iodide) was investigated in a variety of geologically different limestone and sandstone rocks. Porosity, structural and mineralogical composition, hydraulic

Thomas B Boving; Peter Grathwohl

2001-01-01

279

Collective Diffusion Model for Ion Conduction through Microscopic Channels

Ion conduction through microscopic channels is of central importance in both biology and nanotechnology. To better understand the current-voltage (I-V) dependence of ion channels, here we describe and prove a collective diffusion model that quantitatively relates the spontaneous ion permeation at equilibrium to the stationary ionic fluxes driven by small voltages. The model makes it possible to determine the channel conductance in the linear I-V range from equilibrium simulations without the application of a voltage. To validate the theory, we perform molecular-dynamics simulations on two channels—a conical-shaped nanopore and the transmembrane pore of an ?-hemolysin—under both equilibrium and nonequilibrium conditions. The simulations reveal substantial couplings between the motions of cations and anions, which are effectively captured by the collective coordinate in the model. Although the two channels exhibit very different linear ranges in the I-V curves, in both cases the channel conductance at small voltages is in reasonable agreement with the prediction from the equilibrium simulation. The simulations also suggest that channel charges, rather than geometric asymmetry, play a more prominent role in current rectification. PMID:23442858

Liu, Yingting; Zhu, Fangqiang

2013-01-01

280

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

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.

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

2008-10-24

281

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

The drag and diffusion coefficients of the heavy quarks have been evaluated in the pre-equilibrium phase which is expected to be formed in the early stages of the evolving fire ball produced in heavy ion collisions at RHIC and LHC energies. The interaction of the probe with the gluon in the pre-equilibrium phase has been treated within the framework of perturbative QCD. For the pre-equilibrium gluon distribution function we have used the KLN and Classical Yang Mills(CYM) models. It is observed that the magnitude of both the transport coefficients have significant values in the pre-equilibrium phase and comparable to the magnitudes obtained for kinetically equilibrated gluonic system. However, these values are larger than the value estimated for a chemically equilibrated quark gluon plasma. The results may have significant impact on the experimental observable like the suppression and elliptic flow of single electron spectra originating from the decays of heavy mesons produced in heavy ion collisions at RHIC a...

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

2015-01-01

282

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.

Stacey, W. M. [Georgia Tech Fusion Research Center, Atlanta, Georgia 30332 (United States)] [Georgia Tech Fusion Research Center, Atlanta, Georgia 30332 (United States)

2014-04-15

283

Plasma rate coefficients for electron-impact ionization of Xeq+ ions (q = 8, …, 17)

NASA Astrophysics Data System (ADS)

Plasma rate coefficients (PRCs) for electron-impact single ionization of ground-state Xeq+ ions (q=8,\\ldots ,17) in the temperature range 2 × 105 ? 2 × 107 K have been derived from a combination of experimental cross-section data and results of distorted-wave calculations. For Xe8+ and Xe9+ new measurements were performed and thoroughly analyzed with respect to the contributions from different ionization mechanisms and the effects of long-lived excited states in the parent ion beams that had been employed in the experiments. In the same manner, previously published experimental data for the higher charge states were analyzed to extract the ground-configuration ionization cross sections and to derive the associated PRCs. The resulting temperature-dependent PRC functions were parameterized and the associated parameters are provided in tabular form. With the exception of Xe8+ the absolute uncertainties of the inferred rate coefficients are estimated to be +/- 10%. For Xe8+ the uncertainties are +/- 25% due to the necessary correction for strong metastable-ion contributions to the measured cross sections.

Borovik, A., Jr.; Gharaibeh, M. F.; Schippers, S.; Müller, A.

2015-02-01

284

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

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.

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

1992-01-01

285

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

Valiskó, Mónika; Boda, Dezs?

2015-01-29

286

NASA Astrophysics Data System (ADS)

We report the results of experimental studies of the short-time-long-wavelength behavior of collective particle displacements in quasi-one-dimensional (q1D) and quasi-two-dimensional (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 D0: H(q)?De(q)S(q)/D0. 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 q ?0 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 one-dimensional and two-dimensional fluids not subject to boundary conditions that define the dimensionality of the system. We provide support for the contention that the boundary conditions that define a confined system play a very important role in determining the long-wavelength behavior of the collective diffusion coefficient from two sources: (i) the results of simulations of H(q) and De(q) in quasi-1D and quasi-2D systems and (ii) verification, using data from the work of Lin, Rice and Weitz [Phys. Rev. E 51, 423 (1995), 10.1103/PhysRevE.51.423], of the prediction by Bleibel et al., arXiv:1305.3715, that De(q) for a monolayer of colloid particles constrained to lie in the interface between two fluids diverges as q-1 as q ?0.

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

2014-02-01

287

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

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.

Kolokoltsov, Vassili N., E-mail: v.kolokoltsov@warwick.ac.uk [University of Warwick, Department of Statistics (United Kingdom)

2013-08-01

288

Absorption rates of gaseous CO{sub 2} into aqueous blends of N-methyldiethanolamine (MDEA) and diethanolamine (DEA) and of gaseous H{sub 2}S into aqueous MDEA were measured in a quiescent, inverted-tube diffusiometer by monitoring the rate of pressure drop. A numerical model for absorption, diffusion, and reaction of CO{sub 2} and H{sub 2}S in blends of MDEA, DEA, and water was developed. The model was used to regress diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} for the case of CO{sub 2} absorption and of bisulfide ion for the case of H{sub 2}S absorption from measured absorption rates. CO{sub 2} absorption rates and diffusion coefficients of bicarbonate, carbamate, and MDEAH{sub 2}CO{sub 3} were obtained at 298.2 K and 318.2 K in aqueous solutions containing 50 mass % total amine at DEA:MDEA mole ratios of 1:20, 1:4, 1L3, and 2:3. H{sub 2}S absorption rates and diffusion coefficients of bisulfide ion were obtained at 298.2 K and 318.2 K in aqueous solutions containing 20, 35, and 50 mass % MDEA.

Adams, M.E.; Marshall, T.L.; Rowley, R.L. [Brigham Young Univ., Provo, UT (United States). Dept. of Chemical Engineering] [Brigham Young Univ., Provo, UT (United States). Dept. of Chemical Engineering

1998-07-01

289

NASA Astrophysics Data System (ADS)

Although hydrothermal solutions at high temperatures and low pressures where the solution density is low are widely regarded as highly associated alkali chloride solutions in which neutral ion pairs are the predominant solute species, reconsideration in the present study of experimental conductance data reported by QUIST and MARSHALL ( 1968a,b,c), DUNN and MARSHALL (1969) and FRANTZ and MARSHALL (1984) for 1:1 electrolytes suggests that this may not be the case. Quist, Marshall, and their coworkers interpreted their high temperature/pressure conductance data in part by considering the activity coefficients of the neutral species to be negligibly different from unity in dilute solutions. However, these data can also be interpreted by regarding the logarithm of the activity coefficients of neutral complexes ( ¯ggn ) to be a linear function of the effective ionic strength ( ?), which is consistent with both the SETCHÉNOW (1892) and HÜCKEL (1925) equations ( HELGESON et al., 1981). Accordingly, supercritical conductance data for five electrolytes were regressed in the present study using the HÜCKEL (1925), SETCHÉNOW (1892), and SHEDLOVSKY (1938) equations, together with the law of mass action and values of the limiting equivalent conductances of the electrolytes taken from OELKERS and HELGESON (1989) for the temperatures and pressures of the experiments to generate simultaneously the logarithms of dissociation constants ( log K 1) and Setchénow coefficients ( b ?,n) for neutral 1:1 complexes. The resulting values of log K 1 are in close agreement with corresponding values originally reported by Marshall and coworkers. However, the regression calculations indicate that b ?,n and thus the activity coefficients of neutral species in concentrated electrolyte solutions increase dramatically with increasing temperature and decreasing pressure, which opposes the effect on ion pair formation of the accompanying decrease in log K 1. Distribution of species calculations using these values of log K 1 and b ?,n with and without provision for the formation of triple ions ( OELKERS and HELGESON, 1990) indicate that the degrees of formation of neutral 1:1 ion pairs maximize at stoichiometric ionic strengths of 0.2 molal and become negligible at stoichiometric ionic strengths greater than 0.8 molal in the temperature range 400 to 800°C at pressures to 4 kb. Consequently, it appears that these neutral species may account for only a minor part of the solute in concentrated hydrothermal solutions at supercritical temperatures and pressures. This observation is supported also by electrostatic considerations, which indicate that higher order complexes may predominate in concentrated electrolyte solutions at supercritical temperatures and pressures ( PITZER and SCHREIBER, 1987; OELKERS and HELGESON, 1990).

Oelkers, Eric H.; Helgeson, Harold C.

1991-05-01

290

An evaluation of energy-independent heavy ion transport coefficient approximations

NASA Astrophysics Data System (ADS)

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.

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

291

Molecular translational self-diffusion, a measure of diffusive motion, provides information on the effective molecular hydrodynamic radius, as well as information on the properties of media or solution through which the molecule diffuses. Protein translational diffusion measured by pulsed-field gradient nuclear magnetic resonance (PFG-NMR) has seen increased application in structure and interaction studies, as structural changes or protein-protein interactions are often accompanied by alteration of their effective hydrodynamic radii. Unlike the analysis of complex mixtures by PFG-NMR, for monitoring changes of protein translational diffusion under various conditions, such as different stages of folding/unfolding, a partial region of the spectrum or even a single resonance is sufficient. We report translational diffusion coefficients measured by PFG-NMR with a modified stimulated echo (STE) sequence where band-selective pulses are employed for all three (1)H RF pulses. Compared with conventional non-selective sequence, e.g. the BPP-LED sequence, the advantage of this modified band-selective excitation short transient (BEST) version of STE (BEST-STE) sequence is multi-fold, namely: (1) potential sensitivity gain as in generalized BEST-based sequences, (2) water suppression is no longer required as the magnetization of solvent water is not perturbed during the measurement, and (3) dynamic range problems due to the presence of intense resonances from molecules other than the protein or peptide of interest, such as non-deuterated detergent micelles, are avoided. PMID:24824112

Yao, Shenggen; Weber, Daniel K; Separovic, Frances; Keizer, David W

2014-07-01

292

The total scattering coefficient is determined from three multiangle scattering measurements at different heights above the burner in a nonsooting laminar ethylene diffusion flame. The local extinction coefficient is determined from multichord extinction measurements. The above analysis quantifies the contribution from scattering to extinction without knowledge of the soot primary particle diameter or the morphology of the aggregates, and the absorption coefficient can now be determined. The primary particle diameter, the number density of primary particles, the average number of primary particles in an aggregate, and the width of the lognormal distribution function for the number of primary particles in an aggregate are calculated using the absorption coefficient and assumed constant values for the fractal dimension, the fractal prefactor, and the complex refractive index for soot. The values for the primary particle diameter obtained from the in situ measurements in this study compare well with those obtained from transmission electron microscopic measurements of thermophoretically sampled soot aggregates in a previous study at all heights in the diffusion flame, while the calculated soot structure parameters compare well with previous studies only at heights between 30 and 50 mm above the burner. (author)

Iyer, Suresh S.; Litzinger, Thomas A.; Lee, Seong-Young; Santoro, Robert J. [Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802 (United States)

2007-04-15

293

In situ observations of reconnection Hall magnetic fields at Mars: Evidence for ion diffusion. [1] We present Mars Global Surveyor measurements of bipolar out-of-plane magnetic fields at current (2009), In situ observations of reconnection Hall magnetic fields at Mars: Evidence for ion diffusion

California at Berkeley, University of

294

NASA Astrophysics Data System (ADS)

The measurement of diffusive properties of low-permeability rocks is of interest to the nuclear power industry, which is considering the option of deep geologic repositories for management of radioactive waste. We present a simple, non-destructive, constant source in-diffusion method for estimating one-dimensional pore diffusion coefficients ( Dp) in geologic materials based on X-ray radiography. Changes in X-ray absorption coefficient (? ?) are used to quantify changes in relative concentration ( C/ C0) of an X-ray attenuating iodide tracer as the tracer solution diffuses through the rock pores. Estimated values of Dp are then obtained by fitting an analytical solution to the measured concentration profiles over time. Measurements on samples before and after saturation with iodide can also be used to determine iodide-accessible porosity (? I). To evaluate the radiography method, results were compared with traditional steady-state through-diffusion measurements on two rock types: shale and limestone. Values of Dp of (4.8 ± 2.5) × 10 - 11 m 2·s - 1 (mean ± standard deviation) were measured for samples of Queenston Formation shale and (2.6 ± 1.0) × 10 - 11 m 2·s - 1 for samples of Cobourg Formation limestone using the radiography method. The range of results for each rock type agree well with Dp values of (4.6 ± 2.0) × 10 - 11 m 2·s - 1 for shale and (3.5 ± 1.8) × 10 - 11 m 2·s - 1 for limestone, calculated from through-diffusion experiments on adjacent rock samples. Low porosity (0.01 to 0.03) and heterogeneous distribution of porosity in the Cobourg Formation may be responsible for the slightly poorer agreement between radiography and through-diffusion results for limestones. Mean values of ? I for shales (0.060) and limestones (0.028) were close to mean porosity measurements made on bulk samples by the independent water loss technique (0.062 and 0.020 for shales and limestones, respectively). Radiography measurements offer the advantage of time-saving for diffusion experiments because the experiment does not require steady-state conditions and also allows for visualization of the small-scale heterogeneities in diffusive properties within rocks at the mm to cm scale.

Cavé, Lisa; Al, Tom; Xiang, Yan; Vilks, Peter

2009-01-01

295

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...

296

Microbeam X-Ray Diffuse Scattering Study of Ion-Implantation Induced Defects in Silicon

Submicron resolution x-ray beams have been used for diffuse scattering investigations of the size, concentration, type, and depth dependence of ion-irradiation induced defects in silicon irradiated with 10-MeV Si ions at 300 o C. Diffuse scattering measurements in the asymptotic (Stokes-Wilson) diffuse scattering region near Bragg reflections have been carried out in cross-section, as a function of implant depth, using

B. C. Larson; M. Yoon; J. Z. Tischler; T. E. Haynes

297

NASA Technical Reports Server (NTRS)

The charge transfer rate coefficient for the reaction N(2+)(2p(sup 2)P(sup 0)) + He yields products is measured by recording the time dependence of the N(2+) ions stored in an ion trap. A cylindrical radio-frequency ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The decay of the ion signals was analyzed by single exponential least-squares fits to the data. The measured rate coefficient is 8.67(0.76) x 10(exp -11)sq cm/s. The N(2+) ions were at a mean energy of 2.7 eV while He gas was at room temperature, corresponding to an equivalent temperature of 3.9 x 10(exp 3) K. The measured value is in good agreement with a recent calculation.

Fang, Z.; Kwong, Victor H. S.

1997-01-01

298

Solute diffusion in liquid metals

NASA Technical Reports Server (NTRS)

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.

Bhat, B. N.

1973-01-01

299

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

NASA Technical Reports Server (NTRS)

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.

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

2005-01-01

300

We study the well-posedness of the initial value problem on periodic intervals for linear and quasilinear evolution equations for which the leading-order terms have three spatial derivatives. In such equations, there is a competition between the dispersive effects which stem from the leading-order term, and anti-diffusion which stems from the lower-order terms with two spatial derivatives. We show that the dispersive effects can dominate the backwards diffusion: we find a condition which guarantees well-posedness of the initial value problem for linear, variable coefficient equations of this kind, even when such anti-diffusion is present. In fact, we show that even in the presence of localized backwards diffusion, the dispersion will in some cases lead to an overall effect of parabolic smoothing. By contrast, we also show that when our condition is violated, the backwards diffusion can dominate the dispersive effects, leading to an ill-posed initial value problem. We use these results on linear evolution equa...

Wright, J Douglas

2012-01-01

301

Recent experimental work has shown that membranes containing aligned carbon nanotubes exhibit transport rates for gases and liquids that are orders of magnitude larger than rates predicted from Knudsen or hydrodynamic no-slip flow. We present atomically detailed simulations of diffusion of water and alkanes through single-walled carbon nanotubes. The self, corrected, and transported diffusivities are calculated for liquid-like densities of water and alkanes in nanotubes using equilibrium molecular dynamics, with thermodynamic correction factors computed from Monte Carlo adsorption isotherm calculations. We also present the zero-coverage diffusivities for these fluids. We discuss the results in comparison with bulk fluid self-diffusivities and experimental data for flow through nanotubes membranes.

Johnson, J.K.; Wang, Y.; Liu, J.-C.; Sholl, D.S.

2007-08-01

302

The radon exhalation rate at the earth's surface from soil or rock with radium as its source is the main mechanism behind the radon activity concentrations observed in both indoor and outdoor environments. During the last two decades, many subsurface radon transport models have used Rogers and Nielson's formula for modeling the unsaturated soil bulk radon diffusion coefficient. This formula uses an "air-filled effective porosity" to account for radon adsorption and radon dissolution in the groundwater. This formula is reviewed here, and its hypotheses are examined for accuracy in dealing with subsurface radon transport problems. The author shows its limitations by comparing one dimensional steady-state analytical solutions of the two-phase (air/water) transport equation (Fick's law) with Rogers and Nielson's formula. For radon diffusion-dominated transport, the calculated Rogers and Nielson's radon exhalation rate is shown to be unrealistic as it is independent of the values of the radon adsorption and groundwater dissolution coefficients. For convective and diffusive transport, radon exhalation rates calculated using Fick's law and this formula agree only for high values of gas-phase velocity and groundwater saturation. However, these conditions are not usually met in most shallow subsurface environments where radon migration takes place under low gas phase velocities and low water saturation. PMID:24670909

Saâdi, Zakaria

2014-05-01

303

The radial diffusion coefficient of 1.3 - 2.3 MeV protons in recurrent proton streams

NASA Technical Reports Server (NTRS)

The paper presents anisotropy measurements of 1.3-2.3 MeV protons in the interplanetary space during recurrent events for which the radial intensity variation is measured within the radial range from about 0.3 to about 4 AU for the period from June, 1973 through April, 1976. The simultaneous measurements of the diffusive anisotropy and the radial gradient are used to make a direct estimate of the interplanetary radial diffusion coefficient, which is independent of any particular solution of the propagation equation. IMP 7 and 8 is required to be sunward of the earth and hence outside of the magnetosphere; if both spacecraft are sunward, measurements from the one farthest from the magnetosphere are used. The resulting values for the radial diffusivity coefficient near 1 AU lie in the range (3 to 9) x 10 to the 20th sq cm/sec, corresponding to scattering mean free paths between 0.03 and 0.1 AU with a mean of 0.06 AU.

Mewaldt, R. A.; Stone, E. C.; Vogt, R. E.

1978-01-01

304

NASA Astrophysics Data System (ADS)

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.

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

2003-01-01

305

Determination of the volumes of acute cerebral infarct in the magnetic resonance imaging harbors prognostic values. However, semiautomatic method of segmentation is time-consuming and with high interrater variability. Using diffusion weighted imaging and apparent diffusion coefficient map from patients with acute infarction in 10 days, we aimed to develop a fully automatic algorithm to measure infarct volume. It includes an unsupervised classification with fuzzy C-means clustering determination of the histographic distribution, defining self-adjusted intensity thresholds. The proposed method attained high agreement with the semiautomatic method, with similarity index 89.9 ± 6.5%, in detecting cerebral infarct lesions from 22 acute stroke patients. We demonstrated the accuracy of the proposed computer-assisted prompt segmentation method, which appeared promising to replace the laborious, time-consuming, and operator-dependent semiautomatic segmentation. PMID:24738080

Tsai, Jang-Zern; Chen, Yu-Wei; Wang, Kuo-Wei; Wu, Hsiao-Kuang; Lin, Yun-Yu; Lee, Ying-Ying; Chen, Chi-Jen; Lin, Huey-Juan; Smith, Eric Edward; Hsin, Yue-Loong

2014-01-01

306

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

Bini, Fabiano; Marinozzi, Andrea

2014-01-01

307

Eddy diffusion coefficients and the variance of the atmosphere 30-60 km

NASA Technical Reports Server (NTRS)

The results of numerical models or of new observational programs are checked by comparing them with past observations. In view of the differing analysis techniques or differing data samples, the eddy diffusivities presented here agree remarkably well with past estimates. However, in the application of K-values to two-dimensional models, the actual magnitude of the diffusivities is no more important than their spatial patterns, i.e., their gradients with height and latitude. It should thus be noted that the present patterns are often much different from those of past results.

Nastrom, G. D.; Belmont, A. D.; Brown, D. E.

1980-01-01

308

During exocytosis, small quantities of neurotransmitters are released by the cell. These neurotransmitters can be detected quantitatively using electrochemical methods, principally with disk carbon fiber microelectrode amperometry. An exocytotic event then results in the recording of a current peak whose characteristic features are directly related to the mechanisms of exocytosis. We have compared two exocytotic peak populations obtained from PC12 cells with a disk carbon fiber microelectrode and with a pyrolyzed carbon ring microelectrode array, with a 500 nm ring thickness. The specific shape of the ring electrode allows for precise analysis of diffusion processes at the vicinity of the cell membrane. Peaks obtained with a ring microelectrode array show a distorted average shape, owing to increased diffusion pathways. This result has been used to evaluate the diffusion coefficient of dopamine at the surface of a cell, which is up to an order of magnitude smaller than that measured in free buffer. The lower rate of diffusion is discussed as resulting from interactions with the glycocalyx. PMID:23706095

Trouillon, Raphaël; Lin, Yuqing; Mellander, Lisa J.; Keighron, Jacqueline D.; Ewing, Andrew G.

2013-01-01

309

Test of the hypothesis of transient molten state diffusion for swift-heavy-ion induced mixing

The recently proposed hypothesis that swift-heavy-ion induced mixing is a consequence of a transient molten state diffusion is tested by studying 230 MeV Au ion induced mixing at an Fe/Si interface monitored online by elastic recoil detection analysis. An extensive data analysis has been made to determine the experimental intrinsic diffusivities of Fe in Si, and vice versa. The required size and duration of the transient melt phase have been calculated theoretically from the thermal spike model. The close resemblance of the experimental diffusivities to the liquid state diffusivities reported in the literature is a verification of the hypothesis.

Srivastava, S.K. [Nuclear Science Centre, Aruna Asaf Ali Marg, P. O. Box 10502, New Delhi 110067 (India); Max-Planck-Institut fuer Metallforschung, Heisenbergstrasse-3, 70569 Stuttgart (Germany); Avasthi, D.K. [Nuclear Science Centre, Aruna Asaf Ali Marg, P. O. Box 10502, New Delhi 110067 (India); Assmann, W. [Sektion Physik, Universitaet Muenchen, D-85748 Garching (Germany); Wang, Z.G. [Centre Interdisciplinaire de Recherches avec les Ions Lourds, Laboratoire mixte CEA-CNRS, rue Claude Bloch, Boite Postale 5133, 14040 Caen Cedex (France); Kucal, H.; Jacquet, E.; Toulemonde, M. [Centre Interdisciplinaire de Recherches Ion Laser, CIRIL, Boite Postale 5133, F-14070 Caen Cedex 5 (France); Carstanjen, H.D. [Max-Planck-Institut fuer Metallforschung, Heisenbergstrasse-3, 70569 Stuttgart (Germany)

2005-05-15

310

EFFECT OF GRAIN BOUNDARIES ON DIFFUSION-CONTROLLED PROCESSES IN ALUMINUM OXIDE

Oxygen ion diffusion coefficients in single-crystal AlâOâ ; are several orders of magnitude less than aluminum ion diffusion coefficients in ; polycrystalline AlâOâ. In polycrystalline AlâOâ, oxygen ; ion diffusion is enhanced by the presence of grain boundaries as in the chloride ; ion diffusion in the alkali halides. Creep and sintering of polycrystalline Al\\/; sub 2\\/Oâ occur at a

A. E. Paladino; R. L. Coble

1963-01-01

311

mainly at middle and high frequencies. In parallel, a simulation model based on the finite-element method using the Finite-Element Method (FEM); (3) comparison between measured and simulated data. The rest room modelling programs. Data for scattering coefficients of vegetation would be very useful for more

Paris-Sud XI, UniversitÃ© de

312

Fluctuation of Solutions to Linear Elliptic Equations with Noisy Diffusion Coefficients

We consider a linear elliptic equation in divergence form on a bounded domain (or on ?) in dimension d ? 2, whose coefficients are perturbed by a stationary noise of correlation length ? > 0. We give estimates on the fluctuation of the solution in function of the correlation length ? of the noise, both in terms of strong L and weak L norms.

Antoine Gloria

2012-01-01

313

Vironmental Technologies, Lawrence LiVermore National Laboratory, P.O. Box 808, LiVermore, California 94551, Department (1.4, 2.8, 3.7, 5.1, and 7.2 wt %), with the latter two compositions being supersaturated. One cross, diffusion of proteins is important in a number of in vivo, laboratory, medical, and manufacturing

Annunziata, Onofrio

314

Simple deterministic dynamical systems with fractal diffusion coefficients R. Klages1,

January 1999 We analyze a simple model of deterministic diffusion. The model consists of a one-dimensional array of scatterers with moving point particles. The particles move from one scatterer to the next in one-dimensional maps, first studied by Grossmann and Fujisaka 40Â42 , by Geisel et al. 43

Klages, Rainer

315

NASA Astrophysics Data System (ADS)

We present experimentally measured and theoretically calculated rate coefficients for the electron-ion recombination of W18+([Kr ]4d104f10) forming W17+. At low electron-ion collision energies, the merged-beam rate coefficient is dominated by strong, mutually overlapping recombination resonances. In the temperature range where the fractional abundance of W18+ is expected to peak in a fusion plasma, the experimentally derived Maxwellian recombination rate coefficient is 5 to 10 times larger than that which is currently recommended for plasma modeling. The complexity of the atomic structure of the open-4f system under study makes the theoretical calculations extremely demanding. Nevertheless, the results of the present Breit-Wigner partitioned dielectronic recombination calculations agree reasonably well with the experimental findings. This also gives confidence in the ability of the theory to generate sufficiently accurate atomic data for the plasma modeling of other complex ions.

Spruck, K.; Badnell, N. R.; Krantz, C.; Novotný, O.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.

2014-09-01

316

The free escape continuum of diffuse ions upstream of the Earth's quasi-parallel bow shock

NASA Astrophysics Data System (ADS)

The Earth's bow shock is very efficient in accelerating ions out of the incident solar wind distribution to high energies (? 200 keV/e). Fluxes of energetic ions accelerated at the quasi-parallel bow shock, also known as diffuse ions, are best represented by exponential spectra in energy/charge, which require additional assumptions to be incorporated into these model spectra. One of these assumptions is a so-called "free escape boundary" along the interplanetary magnetic field into the upstream direction. Locations along the IBEX orbit are ideally suited for in situ measurements to investigate the existence of an upstream free escape boundary for bow shock accelerated ions. In this study we use 2 years of ion measurements from the background monitor on the IBEX spacecraft, supported by ACE solar wind observations. The IBEX Background Monitor is sensitive to protons > 14 keV, which includes the energy of the maximum flux for diffuse ions. With increasing distance from the bow shock along the interplanetary magnetic field, the count rates for diffuse ions stay constant for ions streaming away from the bow shock, while count rates for diffuse ions streaming toward the shock gradually decrease from a maximum value to ~1/e at distances of about 10 RE to 14 RE. These observations of a gradual decrease support the transition to a free escape continuum for ions of energy >14 keV at distances from 10 RE to 14 RE from the bow shock.

Trattner, K. J.; Allegrini, F.; Dayeh, M. A.; Funsten, H. O.; Fuselier, S. A.; Heirtzler, D.; Janzen, P.; Kucharek, H.; McComas, D. J.; Möbius, E.; Moore, T. E.; Petrinec, S. M.; Reisenfeld, D. B.; Schwadron, N. A.; Wurz, P.

2013-07-01

317

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

NASA Technical Reports Server (NTRS)

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.

Ye, Gang; Cravens, T. E.

1991-01-01

318

Measurements of the mutual diffusion coefficients (D) of the liganded human hemoglobins (Hb) oxy-HbA and oxy-HbS were performed as a function of Hb concentration (CHb), pH, and ionic strength (tau) by intensity fluctuation spectroscopy (IFS). Average diffusion coefficients, (D), and normalized variances, ((D/(D) - 1)2), were recorded. Results are reported and select features are discussed quantitatively. (a) for tau = 0.15 M, the shape of the (d) vs. CHb curve is found to vary with pH. We developed a precise description of this effect in the form of an algebraic relationship between (D), CHb, and Z, the titration charge. (b) only slight differences between the (D) values of oxy-HbS and oxy-HbA are observed, at tau = 0.15 M, for CHb Less Than or Equal To 10 g%. These differences are explained by the theory of part a. (c) No evidence of aggregation is found in solutions of oxy-HbA or oxy-HbS, at tau = 0.15 M, for CHb Less Than or Equal To 10 g%. (d) Indications of aggregation appear in oxy-HbA solutions at very low concentrations of salt. An estimate is made of the extent of aggregation, and the average radius of a cluster is determined. PMID:7272438

LaGattuta, K J; Sharma, V S; Nicoli, D F; Kothari, B K

1981-01-01

319

For predicting the service life of concrete structures in marine environment, diffusion of chloride (D) is an important parameter.\\u000a Electro-migration tests and ponding tests are two techniques conventionally adopted, however they are destructive in nature.\\u000a EIS (Electrochemical impedance spectroscopy) being non-destructive appears a promising technique to arrive at ‘DR’ (D from EIS) in situ in structures. The DR of ordinary

R. Vedalakshmi; R. Renugha Devi; Bosco Emmanuel; N. Palaniswamy

2008-01-01

320

Measurement of the transverse diffusion coefficient of charge in liquid xenon

Liquid xenon (LXe) is a very attractive material as a detection medium for ionization detectors due to its high density, high atomic number, and low energy required to produce electron-ion pairs. Therefore it has been used in several applications, like {\\\\gamma} detection or direct detection of dark matter. Now Subatech is working on the R & D of LXe Compton

W.-T. Chen; H. Carduner; J.-P. Cussonneau; J. Donnard; S. Duval; A.-F. Mohamad-Hadi; J. Lamblin; O. Lemaire; P. Le Ray; E. Morteau; T. Oger; L. Scotto-Lavina; J.-S. Stutzmann; D. Thers

2011-01-01

321

Kramers’ Diffusion Theory Applied to Gating Kinetics of Voltage-Dependent Ion Channels

Kramers’ diffusion theory of reaction rates in the condensed phase is considered as an alternative to the traditional discrete-state Markov (DSM) model in describing ion channel gating current kinetics. Diffusion theory can be expected to be particularly relevant in describing high-frequency (>100kHz) events in channel activation. The generalized voltage sensor of a voltage-dependent ion channel is treated as a Brownian

Daniel Sigg; Hong Qian; Francisco Bezanilla

1999-01-01

322

NASA Astrophysics Data System (ADS)

Self-diffusion of colloidal particles confined to a cylindrical microchannel is considered theoretically and numerically. Virial expansion of the self-diffusion coefficient is performed. Two-body and three-body hydrodynamic interactions are evaluated with high precision using the multipole method. The multipole expansion algorithm is also used to perform numerical simulations of the self-diffusion coefficient, valid for all possible particle packing fractions. Comparison with earlier results shows that the widely used method of reflections is insufficient for calculations of hydrodynamic interactions even for small packing fractions and small particles radii, contrary to the prevalent opinion.

K?dzierski, Marcin; Wajnryb, Eligiusz

2011-10-01

323

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.

Wang, Jinyang; Zhong, Haimin; Qiu, Wenda; Chen, Liuping, E-mail: cesclp@mail.sysu.edu.cn [KLGHEI of Environment and Energy Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China)] [KLGHEI of Environment and Energy Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou 510275 (China); Feng, Huajie [School of Chemistry and Chemical Engineering, Hainan Normal University, Haikou 571158 (China)] [School of Chemistry and Chemical Engineering, Hainan Normal University, Haikou 571158 (China)

2014-03-14

324

The free escape boundary of diffuse ions upstream of the Earth's quasi-parallel bow shock

NASA Astrophysics Data System (ADS)

The Earth's bow shock is very efficient in accelerating ions out of the incident solar wind distribution to high energies (? 200 keV/e). Energetic ions accelerated at the quasi-parallel bow shock are also known as diffuse ions and are best represented by exponential spectra in energy/charge, which require additional assumptions to be incorporated into the models. One of these assumptions is a free escape boundary along the interplanetary magnetic field into the upstream direction. We use two years of data from the background monitor on the IBEX spacecraft to investigate the existence of an upstream free escape boundary for bow shock accelerated ions. The IBEX mission was launched into an 18000 km by 50 RE orbit with a 7.5 day period, which provides extended periods of time in the region upstream of the bow shock. The IBEX background monitor is sensitive to protons > 14 keV which includes the energy for the maximum flux for diffuse ions. With increasing distance from the bow shock along the interplanetary magnetic field, the background count rates from diffuse ions stays constant for ions streaming away from the bow shock while diffuse ion count rates streaming towards the shock decrease for distances > 10 - 15 RE. These observations appear to support the existence of a free escape boundary for ions > 14 keV at a distance of ~10 - 15 RE from the shock.

Trattner, K. J.; Allegrini, F.; Dayeh, M. A.; Funsten, H. O.; Fuselier, S. A.; Heirtzler, D.; Janzen, P.; Kucharek, H.; McComas, D. J.; Moebius, E.; Moore, T. E.; Petrinec, S. M.; Reisenfeld, D. B.; Schwadron, N. A.; Wurz, P.

2012-04-01

325

The free escape boundary of diffuse ions upstream of the Earth's quasi-parallel bow shock

NASA Astrophysics Data System (ADS)

The Earth's bow shock is very efficient in accelerating ions out of the incident solar wind distribution to high energies (? 200 keV/e). Energetic ions accelerated at the quasi-parallel bow shock are also known as diffuse ions and are best represented by exponential spectra in energy/charge, which require additional assumptions to be incorporated into the models. One of these assumptions is a free escape boundary along the interplanetary magnetic field into the upstream direction. We use two years of data from the background monitor on the IBEX spacecraft, supported by ACE solar wind observations, to investigate the existence of an upstream free escape boundary for bow shock accelerated ions. The IBEX mission was launched into an 18000 km by 50 RE orbit with a 7.5 day period, which provides extended periods of time in the region upstream of the bow shock. The IBEX background monitor is sensitive to protons > 14 keV which includes the energy of the maximum flux for diffuse ions. With increasing distance from the bow shock along the interplanetary magnetic field, the background count rates from diffuse ions stay constant for ions streaming away from the bow shock while diffuse ion count rates streaming towards the shock decrease for distances > 10 - 15 RE. These observations appear to support the existence of a free escape boundary for ions > 14 keV at a distance of ~10 - 15 RE from the shock.

Trattner, K. J.; Allegrini, F.; Dayeh, M. A.; Funsten, H. O.; Fuselier, S. A.; Heirtzler, D.; Janzen, P. H.; Kucharek, H.; McComas, D. J.; Moebius, E.; Moore, T. E.; Petrinec, S. M.; Reisenfeld, D. B.; Schwadron, N. A.; Wurz, P.

2011-12-01

326

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).

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

2013-01-01

327

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

Anwar, Shayan Sirat Maheen; Anwar Khan, Zahid; Shoaib Hamid, Rana; Haroon, Fahd; Sayani, Raza; Beg, Madiha; Khattak, Yasir Jamil

2014-01-01

328

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?mm2/s (SD = 248.4?mm2/s); Gleason score of 7 was 837?mm2/s (SD = 208.5?mm2/s); Gleason score of 8 was 614?mm2/s (SD = 108?mm2/s); and Gleason score of 9 was 571?mm2/s (SD = 82?mm2/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

Anwar, Shayan Sirat Maheen; Anwar Khan, Zahid; Shoaib Hamid, Rana; Haroon, Fahd; Sayani, Raza; Khattak, Yasir Jamil

2014-01-01

329

The primary goal of this paper is to describe a combined MR relaxation (T(2) and T(1?)), diffusion (apparent diffusion coefficient [ADC]), and elastography (shear stiffness) method of fully characterizing the development of tissue-engineered cartilage in terms of the changes in its composition, structure, and mechanical properties during tissue growth. Then, we may better use MR-based methodologies to noninvasively monitor and optimize the cartilage tissue engineering process without sacrificing the constructs. This process begins by demonstrating the potential capability of T(2), T(1?), ADC, and shear stiffness in characterizing a scaffold-free engineered cartilage. The results show that, in addition to the conventional T(2) and ADC, T(1?) and MRE can be used as potential biomarkers to assess the specific changes in proteoglycan content and mechanical properties of engineered cartilage during culture. Moreover, to increase the efficiency of MR characterization, two new methodologies for simultaneous acquisition of diffusion and MRE (dMRE), and T(1?) and MRE (T(1?)-MRE) are introduced that allow the simultaneous characterization of both biochemical and mechanical properties of engineered cartilage tissue. The feasibilities of dMRE and T(1?)-MRE approaches are validated on tissue-mimicking phantoms. The results show good correspondence between simultaneous acquisitions and conventional separate acquisition methods. PMID:25403876

Yin, Ziying

2014-01-01

330

Negative ion drift velocity and longitudinal diffusion in mixtures of carbon disulfide and methane

NASA Astrophysics Data System (ADS)

Negative ion drift velocity and longitudinal diffusion have 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 are observed for all gas mixtures tested. Gas gain for some of the mixtures is also included.

Dion, M. P.; Son, S.; Hunter, S. D.; de Nolfo, G. A.

2011-08-01

331

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

NASA Technical Reports Server (NTRS)

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.

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

2011-01-01

332

Oxygen ion diffusivity in strained yttria stabilized zirconia: where is the fastest strain?

decades, developing new compositions with high ionic mobility at low temperatures has been the primaryOxygen ion diffusivity in strained yttria stabilized zirconia: where is the fastest strain? Akihiro of increase in the oxygen anion diffusivity in Y2O3 stabilized ZrO2 (YSZ) under biaxial lattice strain

Yildiz, Bilge

333

NASA Astrophysics Data System (ADS)

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.

Egger, Herbert; Pietschmann, Jan-Frederik; Schlottbom, Matthias

2014-03-01

334

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

Blackledge, Matthew D.; Collins, David J.; Tunariu, Nina; Orton, Matthew R.; Padhani, Anwar R.; Leach, Martin O.; Koh, Dow-Mu

2014-01-01

335

Drag force, diffusion coefficient, and electric mobility of small particles. II. Application

NASA Astrophysics Data System (ADS)

We propose a generalized treatment of the drag force of a spherical particle due to its motion in a laminar fluid media. The theory is equally applicable to analysis of particle diffusion and electric mobility. The focus of the current analysis is on the motion of spherical particles in low-density gases with Knudsen number Kn?1. The treatment is based on the gas-kinetic theory analysis of drag force in the specular and diffuse scattering limits obtained in a preceding paper [Z. Li and H. Wang, Phys. Rev. E., 68, 061206 (2003)]. Our analysis considers the influence of van der Waals interactions on the momentum transfer upon collision of a gas molecule with the particle and expresses this influence in terms of an effective, reduced collision integral. This influence is shown to be significant for nanosized particles. In the present paper, the reduced collision integral values are obtained for specular and diffuse scattering, using a Lennard-Jones-type potential energy function suitable for the interactions of a gas molecule with a particle. An empirical formula for the momentum accommodation function, used to determine the effective, reduced collision integral, is obtained from available experimental data. The resulting treatment is shown to be accurate for interpreting the mobility experiments for particles as small as ˜1 nm in radius. The treatment is subsequently extended to the entire range of the Knudsen number, following a semiempirical, gas-kinetic theory analysis. We demonstrate that the proposed formula predicts very well Millikan’s oil-droplet experiments [R. A. Millikan, Philos. Mag. 34, 1 (1917); Phys. Rev. 22, 1 (1923)]. The rigorous theoretical foundation of the proposed formula in the Kn?1 limit makes the current theory far more general than the semiempirical Stokes-Cunningham formula in terms of the particle size and condition of the fluid and, therefore, more attractive than the Stokes-Cunningham formula.

Li, Zhigang; Wang, Hai

2003-12-01

336

Erbium diffusion in silicon dioxide

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.

Lu Yingwei; Julsgaard, B.; Petersen, M. Christian [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C (Denmark); Jensen, R. V. Skougaard [Department of Physics and Nanotechnology, Aalborg University, DK-9220 Aalborg O (Denmark); Pedersen, T. Garm; Pedersen, K. [Department of Physics and Nanotechnology, Aalborg University, DK-9220 Aalborg O (Denmark); Interdisciplinary Nanoscience Center-iNANO, DK-8000 Aarhus C (Denmark); Larsen, A. Nylandsted [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C (Denmark); Interdisciplinary Nanoscience Center-iNANO, DK-8000 Aarhus C (Denmark)

2010-10-04

337

NASA Astrophysics Data System (ADS)

Part I of this thesis centers on the investigation of the structural, electronic and physical properties of Li-Sn based novel polar intermetallic compounds. In spite of both scientific and technological interests, the understanding of structure-property relationships of polar intermetallics based on Li-Sn system have not been extensively studied. Our exploratory studies focus on the chemistry of the Li-richest binary phase, Li4.4Sn, as well as on the discovery of new ternary Li-rich phases. Careful phase analyses coupled with X-ray and neutron diffraction studies resulted in the reformulation of Li4.4Sn as Li17Sn4. Exploratory synthesis in the Li-rich side of the ternary Li-Ag-Sn system also led to the discovery of two novel ternary lithium silver stannides phases: Li32.54Ag 9.46Sn10 and Li17Ag3Sn6. The new ternary compounds represent examples of two new crystal structure-types. Li32.54Ag9.46Sn10 exhibits high Li content, and a structure with covalent Ag-Sn framework with significant Li/Ag defects indicating its potential as an anode material for Li-ion batteries. Li 17Ag3Sn6 represents the first example of a quasi-2-dimensional polar intermetallic of the Li-Ag-Sn system. Its high lithium content also suggests it is a viable candidate for Li-battery anode applications. Part II of this thesis focuses on the investigation of defect production upon inert and chemically reactive energetic ion irradiated single crystals of MgO (100). Ti diffusion in ion pre-irradiated (low-energy ion beams of Ar+, Cl+ and Cr+ of 7keV) MgO (100) surfaces was selected as a model system in this work. The annealing process followed ion-irradiation treatment. Diffusion was conducted in an inert atmosphere. In these conditions, non-steady state concentration defects were created and a new type of diffusion termed as Non-Steady State Radiation Enhanced Diffusion (NSRED) was developed. NSRED is obtained by using the following: ion irradiation in the keV range followed by annealing; the diffusion range overlaps heavily with the central region of the collision cascade; the diffusing species are evaporated on the pre-irradiated surfaces. Secondary Ion Mass Spectrometry was used to measure the diffusion coefficients versus ion irradiation conditions as well as their time dependence. A theoretical model was formulated to calculate the depth-dependent bulk diffusion coefficients and the following order was obtained: DTi/Cr/MgO > DTi/Ar/MgO > DTi/Cl/MgO (where D stands for the depth-dependent diffusion coefficient of samples bombarded with Cr, Ar and Cl, respectively). Monte-Carlo (TRIM) simulations, lattice deformation effects, electrical neutrality requirements as well as nature of vacancies were used to explain the observed trend. Additional kinetic studies and HRXRD experiments were performed to further explain the DTi/Ar/MgO > DTi/Cl/MgO trend. A modified Kapinos-Platonov model was used to include the chemical effect observed. Larger vacancies cluster are assumed to form after relaxation processes under Cl+ bombardment versus Ar+ bombardment. The model accounts for: (1) enhanced diffusion obtained due to the vacancy cluster dissociation during the annealing process, the so-called post-irradiation annealing effect; (2) enhanced diffusion obtained due to the chemical properties of the ions, the so-called chemical effect.

Lupu, Corina

338

Na and Li ion diffusion in modified ASTM C 1260 test by Magnetic Resonance Imaging (MRI)

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.

Feng, X. [Department of Civil Engineering, University of New Brunswick, Fredericton, NB (Canada)], E-mail: XFeng@ctlgroup.com; Balcom, B.J. [MRI Center, Department of Physics, University of New Brunswick, Fredericton, NB (Canada); Thomas, M.D.A.; Bremner, T.W. [Department of Civil Engineering, University of New Brunswick, Fredericton, NB (Canada)

2008-12-15

339

Objective To investigate the relationships between the apparent diffusion coefficients (ADCs) on diffusion-weighted imaging (DWI) and the speed of contrast-enhancement in hepatic hemangiomas. Materials and Methods Sixty-nine hepatic hemangiomas (? 1 cm) were evaluated with DWI, by using multiple b values (b = 50, 400, 800 s/mm2), followed by a gadolinium-enhanced dynamic MRI. The lesions were classified into three groups, according to the speed of contrast-enhancement on the portal phase. ADCs were measured on the ADC map automatically, and were calculated by using the two different b values (mADC50-400 with b values = 50 and 400; mADC400-800 with b values = 400 and 800 s/mm2). Results The mean ADCs (× 10-3 mm2/s) were significantly higher in the rapid group (1.9 ± 0.44) than in the intermediate (1.7 ± 0.35, p = 0.046) or the slow groups (1.4 ± 0.34, p = 0.002). There were significant differences between the rapid and the slow groups in mADC50-400 (2.12 vs. 1.48; p = 0.008) and mADC400-800 (1.68 vs. 1.22, p = 0.010), and between the rapid and the intermediate groups in mADC50-400 (2.12 vs. 1.79, p = 0.049). Comparing mADC50-400 with mADC400-800, there was a significant difference only in the rapid group (p = 0.001). Conclusion Higher ADCs of rapidly-enhancing hemangiomas may be related to richer intralesional vascular perfusion. Also, the restricted diffusion may be attributed to the difference of structural characteristics of hemangioma. PMID:23118571

Nam, Se Jin; Park, Kae Young; Chung, Jae-Joon; Kim, Joo Hee; Kim, Ki Whang

2012-01-01

340

NASA Astrophysics Data System (ADS)

Radiative transfer modelling in atmosphere, water, and on the air-water surface was used to create an algorithm and computer code for satellite monitoring Chinese estuarine and coastal waters. The atmospheric part of the algorithm is based on the Reference Evaluation of Solar Transmittance (REST) model for calculation of optical properties of the atmosphere from the top of the atmosphere to the target; for modelling optical properties from target towards satellite's sensor, an optical reciprocity principle has been used. An algorithm uses estimates derived from three different sources: 1) the MODIS-based software; 2) radiative transfer equations, and 3) well-known empirical relationships between measured parameters and optical depths and transmittances for such atmospheric components as molecules, aerosols, ozone, nitrogen dioxide, precipitable water vapor and uniformly mixed gases. Using this model allowed us to derive a reliable relationship relating an important parameter, the diffuse-to-global solar incoming irradiance ratio, to the aerosol optical thickness, solar zenith angle and wavelength. The surface and underwater parts of the algorithm contained theoretical and semi-empirical relationships between inherent (such as absorption, scattering and backscattering coefficients) and apparent (remote-sensing reflectance and diffuse attenuation coefficient, Kd) optical properties, and suspended sediment concentration (SSC) measured in the Yangtze River Estuary and its adjacent coastal area. The first false colour maps of SSC and Kd demonstrated a well accordance with the multi-year field observations in the region, and suggest promise for use of this algorithm for the regular monitoring of Chinese and worldwide natural waters.

Sokoletsky, Leonid; Yang, Xianping; Shen, Fang

2014-11-01

341

NASA Astrophysics Data System (ADS)

Modulated photothermal radiometry (PTR) and a modulated photopyroelectric (PPE) technique have been widely used to measure the thermal diffusivity of bulk materials. The method is based on illuminating the sample with a plane light beam and measuring the infrared emission with an infrared detector (PTR) or the electric voltage produced by a pyroelectric sensor in contact with the sample (PPE). The amplitude and phase of both photothermal signals are recorded as a function of the modulation frequency and then fitted to the theoretical model. In this work, we compare the ability of modulated PTR and PPE to retrieve simultaneously the thermal diffusivity and the optical absorption coefficient of homogeneous slabs. In order to eliminate the instrumental factor, self-normalization is used, i.e., the ratio of the photothermal signal recorded at the rear and front surfaces. The influence of the multiple reflections of the light beam and the transparency to infrared wavelengths are analyzed. Measurements performed on a wide variety of homogeneous materials, transparent and opaque, good and bad thermal conductors, confirm the validity of the method. The advantages and disadvantages of both techniques are discussed.

Fuente, R.; Mendioroz, A.; Apiñaniz, E.; Salazar, A.

2012-11-01

342

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

da Silva, Wilton Pereira; E Silva, Cleide M D P S

2014-09-01

343

The aim of this study was to create a new phantom for a 3 Tesla (3T) magnetic resonance imaging (MRI) device for the calculation of the apparent diffusion coefficient (ADC) using diffusion-weighted imaging (DWI), and to mimic the ADC values of normal and tumor tissues at various temperatures, including the physiological body temperature of 37°C. The phantom was produced using several concentrations of sucrose from 0 to 1.2 M, and the DWI was performed using various phantom temperatures. The accurate ADC values were calculated using the DWIs of the phantoms, and an empirical formula was developed to calculate the ADC values of the phantoms from an arbitrary sucrose concentration and arbitrary phantom temperature. The empirical formula was able to produce ADC values ranging between 0.33 and 3.02×10?3 mm2/sec, which covered the range of ADC values of the human body that have been measured clinically by 3T MRI in previous studies. The phantom and empirical formula developed in this study may be available to mimic the ADC values of the clinical human lesion by 3T MRI. PMID:25013504

HARA, MARINA; KURODA, MASAHIRO; OHMURA, YUICHI; MATSUZAKI, HIDENOBU; KOBAYASHI, TOMOKI; MURAKAMI, JUN; KATASHIMA, KAZUNORI; ASHIDA, MASAKAZU; OHNO, SEIICHIRO; ASAUMI, JUN-ICHI

2014-01-01

344

Self-diffusion coefficients and shear viscosity of inverse power fluids: from hard- to soft-spheres.

Molecular dynamics computer simulation has been used to compute the self-diffusion coefficient, D, and shear viscosity, eta(s), of soft-sphere fluids, in which the particles interact through the soft-sphere or inverse power pair potential, phi(r) = epsilon(sigma/r)(n), where n measures the steepness or stiffness of the potential, and epsilon and sigma are a characteristic energy and distance, respectively. The simulations were carried out on monodisperse systems for a range of n values from the hard-sphere (n --> infinity) limit down to n = 4, and up to densities in excess of the fluid-solid co-existence value. A new analytical procedure is proposed which reproduces the transport coefficients at high densities, and can be used to extrapolate the data to densities higher than accurately accessible by simulation or experiment, and tending to the glass transition. This formula, DX(c-1) proportional, variant A/X + B, where c is an adjustable parameter, and X is either the packing fraction or the pressure, is a development of one proposed by Dymond. In the expression, -A/B is the value of X at the ideal glass transition (i.e., where D and eta(s)(-1) --> 0). Estimated values are presented for the packing fraction and the pressure at the glass transition for n values between the hard and soft particle limits. The above expression is also shown to reproduce the high density viscosity data of supercritical argon, krypton and nitrogen. Fits to the soft-sphere simulation transport coefficients close to solid-fluid co-existence are also made using the analytic form, ln(D) = alpha(X)X, and n-dependence of the alpha(X) is presented (X is either the packing fraction or the pressure). PMID:18597018

Heyes, D M; Bra?ka, A C

2008-07-21

345

The Heavy-Ion Approximation for Ambipolar Diffusion Calcuations for Weakly Ionized Plasmas

Ambipolar diffusion redistributes magnetic flux in weakly ionized plasmas and plays a critical role in star formation. Simulations of ambipolar diffusion using explicit MHD codes are prohibitively expensive for the level of ionization observed in molecular clouds ({approx}< 10{sup -6}) since an enormous number of time steps is required to represent the dynamics of the dominant neutral component with a time step determined by the trace ion component. Here we show that ambipolar diffusion calculations can be significantly accelerated by the 'heavy-ion approximation', in which the mass density of the ions is increased and the collisional coupling constant with the neutrals decreased such that the product remains constant. In this approximation, the ambipolar diffusion time and the ambipolar magnetic Reynolds number remain unchanged. We present three tests of the heavy-ion approximation: C-type shocks, the Wardle instability, and the 1D collapse of a magnetized slab. We show that this approximation is quite accurate provided that (1) the square of the Alfven Mach number is small compared to the ambipolar diffusion Reynolds number for dynamical problems, and that (2) the ion mass density is negligible for quasi-static problems; a specific criterion is given for the magnetized slab problem. The first condition can be very stringent for turbulent flows with large density fluctuations.

Li, P; McKee, C; Klein, R

2006-07-27

346

-ion systems. Introduction Rechargeable lithium-ion (Li-ion) batteries1Â4 have become a mainstay of the digital-ion intercalation chemistry for rechargeable battery applications. Though lithium-ion chemistry has been hugely of rechargeable batteries in large- scale applications such as electric vehicles, with significant benefits

Ceder, Gerbrand

347

NASA Astrophysics Data System (ADS)

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.

Fang, Tilden T.; Fang, Wingra T. C.; Griffin, Peter B.; Plummer, James D.

1996-02-01

348

A 73-year-old man, with a history of hypertension and left supraclavicular fossa arteriovenous malformation with multiple previous uncomplicated vessel embolisation procedures, presented with acute spastic quadriparesis and urinary retention following upper limb angiography and embolisation. There was no evidence of preceding infection or neurological disease prior to the event. Cerebrospinal fluid analysis was unremarkable. MRI of the cervical spine with a 1.5 Tesla magnet performed 13 hours from symptom onset revealed bilateral paramedian intramedullary T2-weighted signal change without gadolinium enhancement limited to the grey matter with corresponding diffusion restriction extending from C5-6 down to the mid-T1. The diagnosis of cervical spinal cord infarction (SCI) was made and the patient was given regular aspirin and atorvastatin. On follow-up at 3 months, there was modest improvement with respect to his quadriparesis and was walking unaided. An extensive literature review on the role of MRI in SCI is discussed. PMID:23628439

Tsang, Benjamin K-T; Foster, Emma; Kam, Anthony; Storey, Elsdon

2013-11-01

349

In this work, we generalize the current theory of strong convergence rates for the backward Euler–Maruyama scheme for highly non-linear stochastic differential equations, which appear in both mathematical finance and bio-mathematics. More precisely, we show that under a dissipative condition on the drift coefficient and super-linear growth condition on the diffusion coefficient the BEM scheme converges with strong order of

Xuerong Mao; Lukasz Szpruch

2012-01-01

350

Kinetic theory of the interdiffusion coefficient in dense plasmas

Naive applications of Spitzer's theory to very dense plasmas can lead to negative diffusion coefficients. The interdiffusion coefficients in Binary Ionic Mixtures (two species of point ions in a uniform neutralizing background) have been calculated recently using molecular dynamics techniques. These calculations can provide useful benchmarks for theoretical evaluations of the diffusion coefficient in dense plasma mixtures. This paper gives a brief description of a kinetic theoretic approximation to the diffusion coefficient which generalizes Spitzer to high density and is in excellent agreement with the computer simulations. 15 refs., 1 fig., 2 tabs.

Boercker, D.B.

1986-08-01

351

UNDERSTANDING DEGRADATION AND LITHIUM DIFFUSION IN LITHIUM ION BATTERY ELECTRODES

Lithium-ion batteries with higher capacity and longer cycle life than that available today are required as secondary energy sources for a wide range of emerging applications. In particular, the cycling performance of several candidate materials for lithium-ion battery electrodes is insufficient because of the fast capacity fading and short cycle life, which is mainly a result of mechanical degradation.\\u000aThis

Juchuan Li

2012-01-01

352

NASA Astrophysics Data System (ADS)

Fractional diffusion equations were shown to provide an adequate and accurate description of transport processes exhibiting anomalous diffusion behavior. Recently, spectral Galerkin methods were developed for space-fractional diffusion equations aiming at achieving exponential convergence. An optimal order error estimate in the fractional energy norm was proved under the assumption that the true solution to the fractional diffusion equation has the desired regularity. An optimal order error estimate in the L2 norm was proved via the well known Nitsche lifting technique under the assumption that the true solution to the corresponding boundary-value problem of the fractional diffusion equation has the required regularity for each right-hand side. In this paper we show that the true solution to the Dirichlet boundary-value problem of a conservative fractional diffusion equation of order 2 - ? with 0 < ? < 1 as well as a constant diffusivity coefficient and a constant source term is not in the fractional Sobolev space H 3 / 2 - ? in general, but is still in the Besov space B?3/ 2 - ? (L2). Hence, the provable convergence rate of a spectral Galerkin method in the L2 norm is at most of the order O (N - (3 / 2 - ?)), where N is the degree of the polynomial space in the numerical method. Numerical experiments show that the spectral Galerkin method exhibits a subquadratic convergence in the L2 norm for any 0 < ? < 1. We develop a high-accuracy preserving spectral Galerkin method for the Dirichlet boundary-value problem of one-sided variable-coefficient conservative fractional diffusion equations. The method has a proved high-order convergence rate of arbitrary order (i) without requiring the smoothness of the true solution u to the given boundary-value problem, but only assuming that the diffusivity coefficient and the right-hand source term have the desired regularity; (ii) for a variable diffusivity coefficient; and (iii) for an inhomogeneous Dirichlet boundary condition. Numerical experiments substantiate the theoretical analysis and show that the method exhibits exponential convergence provided the diffusivity coefficient and the right-hand source term have the desired regularity.

Wang, Hong; Zhang, Xuhao

2015-01-01

353

The use of ion beam techniques to characterize lead diffusion in minerals

The characterization of diffusion of lead and other trace elements in certain mineral phases has great significance in reconstructing the thermal history of the earth's crust. Such studies permit better interpretation of ages'' obtained from isotopic dating. This study uses ion implantation to introduce lead into the minerals apatite and zircon. Diffusion profiles are obtained using Rutherford backscattering (RBS) and the results fit with a model to determine D. Results for apatite over the temperature range 600--900{degree}C show agreement with earlier results obtained traditional geologic techniques. This suggests that radiation damage induced by ion implantation has little effect on diffusion in this case. This approach is both simple and useful in studying diffusion over a temperature range of geologic interest without inordinate annealing times. 17 refs., 5 figs.

Cherniak, D.J.; Lanford, W.A. (State Univ. of New York, Albany, NY (USA)); Ryerson, F.J. (Lawrence Livermore National Lab., CA (USA))

1990-09-21

354

Evidence for diffusion-limited kinetics of ion-beam-induced epitaxial crystallization in silicon

The theoretical predictions of point defect related models for ion-beam-induced epitaxial crystallization (IBIEC) with reaction- or diffusion-limited kinetics are compared to each other and with experimental results. It is shown that the diffusion model provides the correct nuclear energy deposition and dose rate dependence of the IBIEC rate, whereas striking differences are observed for the reaction model. A compilation of

V. Heera; T. Henkel; R. Kögler; W. Skorupa

1995-01-01

355

Diffusion length variation and proton damage coefficients for InP/In(x)Ga(1-x)As/GaAs solar cells

NASA Technical Reports Server (NTRS)

Indium phosphide solar cells are more radiation resistant than gallium arsenide and silicon solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of lighter, mechanically strong and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5 and 3 MeV proton irradiations are explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence is calculated by simulating the cell performance. The diffusion length damage coefficient K(L) is plotted as a function of proton fluence.

Jain, R. K.; Weinberg, I.; Flood, D. J.

1993-01-01

356

NASA Astrophysics Data System (ADS)

A Mg-ion indiffusion process was applied to lithium niobate single crystal substrates with a deposited magnesium oxide thin film. By means of electron probe microanalysis and X-ray diffraction analysis, the Mg concentration distribution along the depth of the magnesium diffused layer was obtained and the activation energy for Mg-ion indiffusion was determined to be 288 KJ/mol. It was also determined that the magnesium diffused layer exhibits a crystal structure of an unknown compound from the Mg Li Nb O ternary system. It is proposed that this unknown compound and MgNb2O6, which form during a solid state reaction between the thin layer of MgO and the lithium niobate crystal in a Li2O-rich atmosphere, are the real sources for Mg-ion indiffusion into lithium niobate. The high activation energy and the appearance of this unknown compound in the magnesium diffused layer suggest that Mg-ions diffuse substitutionally into the lithium niobate crystal. Mechanisms causing a decrease in the refractive index of the Mg diffused layer are also discussed.

Que, Wenxiu; Lim, Siakpiang; Zhang, Liangying; Yao, Xi

1998-03-01

357

Specific Ions Modulate Diffusion Dynamics of Hydration Water on Lipid Membrane Surfaces

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

2015-01-01

358

Nonuniform plasma diffusion and multi-pulse effect in plasma-based ion implantation

NASA Astrophysics Data System (ADS)

The nonuniform plasma caused by plasma diffusion and the incomplete plasma recovery during short pulse-off time have great influences on the sheath dynamics and the implantation efficiency in plasma-based ion implantation (PBII). In this paper, a magnetized plasma diffusion fluid model is established to describe the plasma diffusion in PBII process. Together with a magnetized sheath fluid model, the full pulse period including sheath dynamics during pulse-on time and plasma recovery during pulse-off time can be described, and the models are verified to be accurate by comparing with experimentally measured electron density profiles. The influence of process parameters on sheath dynamics, the influence of incomplete plasma recovery under multi-pulse bias on implantation efficiency are investigated by solving the presented models with considering plasma diffusion. It is found that the variations of process parameters which accelerate the plasma diffusion reduce the steady-state sheath thickness and increase the ion implantation current, and vice versa. Change the pulse frequency from 1 kHz to 100 kHz under typical PBII process parameters significantly increases the average ion implantation current density, and the limiting factor which affects the implantation efficiency is converted from duty cycle to plasma diffusion. Increasing the plasma density and decreasing the transverse magnetic field are the effective methods to improve the implantation efficiency as well. The results reported here help to provide a theoretical guidance for the parameters optimization in PBII process.

Zheng, B. C.; Lei, M. K.

2015-01-01

359

Background We tested the feasibility of a simple method for assessment of prostate cancer (PCa) aggressiveness using diffusion-weighted magnetic resonance imaging (MRI) to calculate apparent diffusion coefficient (ADC) ratios between prostate cancer and healthy prostatic tissue. Methods The requirement for institutional review board approval was waived. A set of 20 standardized core transperineal saturation biopsy specimens served as the reference standard for placement of regions of interest on ADC maps in tumorous and normal prostatic tissue of 22 men with PCa (median Gleason score: 7; range, 6–9). A total of 128 positive sectors were included for evaluation. Two diagnostic ratios were computed between tumor ADCs and normal sector ADCs: the ADC peripheral ratio (the ratio between tumor ADC and normal peripheral zone tissue, ADC-PR), and the ADC central ratio (the ratio between tumor ADC and normal central zone tissue, ADC-CR). The performance of the two ratios in detecting high-risk tumor foci (Gleason 8 and 9) was assessed using the area under the receiver operating characteristic curve (AUC). Results Both ADC ratios presented significantly lower values in high-risk tumors (0.48?±?0.13 for ADC-CR and 0.40?±?0.09 for ADC-PR) compared with low-risk tumors (0.66?±?0.17 for ADC-CR and 0.54?±?0.09 for ADC-PR) (p?

2014-01-01

360

NASA Astrophysics Data System (ADS)

The temperature dependences of the effective diffusion coefficients of the components of three-component gas systems, used in the synthesis of ammonia, were calculated in the temperature range 298-800 K. The results obtained can be used as reference data.

Zhavrin, Yu. I.; Kosov, V. N.; Poyarkov, I. V.; Asembaeva, M. K.; Fedorenko, O. V.; Nysanbaeva, A. T.

2013-05-01

361

White matter (WM) injury after bilateral common carotid artery occlusion (BCAO) in rat is associated with disruption of the blood–brain barrier (BBB) by matrix metalloproteinases (MMPs). We hypothesized that WM injury as seen on magnetic resonance imaging (MRI) would correlate with regions of increased MMP activity. MRI was performed 3 days after BCAO surgery in rats. Apparent diffusion coefficients (ADC)

Rohit Sood; Yi Yang; Saeid Taheri; Eduardo Candelario-Jalil; Eduardo Y Estrada; Espen J Walker; Jeffrey Thompson; Gary A Rosenberg

2009-01-01

362

Formulas are derived for evaluating the diffusion coefficient and size of gas molecules from transient coherent anti-Stokes Raman scattering measurements. Numerical estimates are presented for hydrogen. (special issue devoted to the 80th birthday of S.A. Akhmanov)

Nikitin, Sergei Yu [M. V. Lomonosov Moscow State University, Faculty of Physics, Moscow (Russian Federation)

2009-07-31

363

Propagation of energetic solar cosmic rays was studied by solving the focussed transport equation without adiabatic deceleration. In our calculations, we considered the change of pitch angle diffusion coefficient due to the variation of magnetic field strength along Archimedian interplanetary magnetic field lines in addition to magnetic field fluctuation and its correlation length depending upon radial distance from the sun.

Takasuke Sakai

1999-01-01

364

Classical diffusion measurements in intermetallic compounds are often complicated by low diffusivities or low solubilities of the elements of interest. Using secondary ion mass spectrometry for measurements over a relatively shallow spatial range may be used to solve the problem of low diffusivity. In order to simultaneously obtain measurements on important impurity elements with low solubilities, the authors have used

R. J. Jr. Hanrahan; S. P. Withrow; M. Puga-Lambers

1998-01-01

365

Objective Apparent diffusion coefficients (ADC) can help differentiate between central nervous system (CNS) lymphoma and Glioblastoma (GBM). However, overlap between ADCs for GBM and lymphoma have been reported because of various region of interest (ROI) methods. Our aim is to explore ROI method to provide the most reproducible results for differentiation. Materials and Methods We studied 25 CNS lymphomas and 62 GBMs with three ROI methods: (1) ROI1, whole tumor volume; (2) ROI2, multiple ROIs; and (3) ROI3, a single ROI. Interobserver variability of two readers for each method was analyzed by intraclass correlation(ICC). ADCs were compared between GBM and lymphoma, using two-sample t-test. The discriminative ability was determined by ROC analysis. Results ADCs from ROI1 showed most reproducible results (ICC >0.9). For ROI1, ADCmean for lymphoma showed significantly lower values than GBM (p?=?0.03). The optimal cut-off value was 0.98×10?3 mm2/s with 85% sensitivity and 90% specificity. For ROI2, ADCmin for lymphoma was significantly lower than GBM (p?=?0.02). The cut-off value was 0.69×10?3 mm2/s with 87% sensitivity and 88% specificity. Conclusion ADC values were significantly dependent on ROI method. ADCs from the whole tumor volume had the most reproducible results. ADCmean from the whole tumor volume may aid in differentiating between lymphoma and GBM. However, multi-modal imaging approaches are recommended than ADC alone for differentiation. PMID:25393543

Ahn, Sung Jun; Shin, Hyun Joo; Chang, Jong-Hee; Lee, Seung-Koo

2014-01-01

366

The mechanism of water and sodium apparent diffusion coefficient (ADC) changes in rat skeletal muscle during global ischemia was examined by in vivo 1H and 23Na magnetic resonance spectroscopy (MRS). The ADCs of Na+ and water are expected to have similar characteristics because sodium is present as an aqua-cation in tissue. The shift reagent, TmDOTP5(-), was used to separate intra- and extracellular sodium (Na+i and Na+e, respectively) signals. Water, total tissue sodium (Na+t), Na+i, and Na+e ADCs were measured before and 1, 2, 3, and 4 hr after ischemia. Contrary to the general perception, Na+i and Na+e ADCs were identical before ischemia. Thus, ischemia-induced changes in Na+e ADC cannot be explained by a simple change in the size of relative intracellular or extracellular space. Na+t and Na+e ADCs decreased after 2-4 hr of ischemia, while water and Na+i ADC remained unchanged. The correlation between Na+t and Na+e ADCs was observed because of high Na+e concentration. Similarly, the correlation between water and Na+i ADCs was observed because cells occupy 80% of the tissue space in the skeletal muscle. Ischemia also caused an increase in the Na+i and an equal decrease in Na+e signal intensity due to cessation of Na+/K+-ATPase function. PMID:18306401

Babsky, Andriy M; Topper, Stephen; Zhang, Hong; Gao, Yong; James, Judy R; Hekmatyar, Shahryar K; Bansal, Navin

2008-03-01

367

NASA Astrophysics Data System (ADS)

For this study, Ti/Si and Ta/Si structures were implanted with two doses of nitrogen 10 15 ions/cm2 (low dose) and 10 17 ions/cm2 (high dose) at 10KeV and 20KeV energy. Characterization was performed by Sheet resistance measurement and X-Ray diffraction (XRD) techniques. Results shows that implantation of 10 15 ions/cm2 dose of nitrogen does not cause any nitridation, while in case of high dose implanted samples formation of tantalum nitride phase was observed. Nitride layers formed this way was used as diffusion barrier layers for copper metallization in Silicon based integrated circuits.

Kumar, Mukesh; Rajkumar, -; Kumar, Dinesh

2006-01-01

368

Diffusely Bound Mg2+ Ions Slightly Reorient Stems I and II of the Hammerhead

Diffusely Bound Mg2+ Ions Slightly Reorient Stems I and II of the Hammerhead Ribozyme To IncreaseVed June 24, 2003 ABSTRACT: The hammerhead ribozyme is one of the best-studied small RNA enzymes, yet distinct hammerhead ribozymes, HHL and HHR. HHL has three long helical stems and was previously used

Walter, Nils G.

369

Diffusion processes in metal/ceramic interfaces under heavy ion irradiation

NASA Astrophysics Data System (ADS)

Ion beam techniques are frequently used to modify the physical properties of interfaces. Ion beam mixing and radiation enhanced diffusion (RED) of several metal-ceramic interfaces were investigated. Polished Al 2O 3, SiO 2 and MgO crystals were chosen as substrates. Thin metal films of Fe, Ni and Cu, with a thickness of 70 nm, were evaporated onto these substrates using Molecular Beam Epitaxy (MBE). The bilayer systems were irradiated with 150 keV Ar + ions with a dose of 2 × 10 16 Ar +/cm 2 in a temperature range from 77 to 373 K. Film thickness and ion energy were so chosen as to obtain a maximum nuclear stopping power at the interface, calculated by the computer code TRIM. Rutherford Backscattering Spectrometry (RBS) was used to determine the concentration depth profiles and the diffusion lengths for each of the elements. Different diffusion processes, i.e. ballistic mixing and radiation enhanced diffusion, were separated using the low and medium temperature data. The results are compared with other known systems.

Nagel, R.; Hahn, H.; Balogh, A. G.

1999-01-01

370

Ion Diffusion in Channels Containing Random Arrays of Microspheres: An Electrochemical

Ion Diffusion in Channels Containing Random Arrays of Microspheres: An Electrochemical Time), rectangular (ca. 0.1 Ã? 1.0 mm2) channels partially filled with polystyrene microspheres are investigated microbeads serving as spacers. The packing density of the microspheres expressed in terms of the fractional

Majda, Marcin

371

Ionic channels, natural nanotubes found in biological cells, are interesting to the electronics community because they display a range of device-like functions. The purpose of this paper is to illustrate how the solution methodology, developed for 3-D drift-diffusion models of semiconductor devices, can be applied to ion permeation in ionic channels. For this study we select the ompF porin channel,

T. A. van der Straaten; J. M. Tang; U. Ravaioli; R. S. Eisenberg; N. R. Aluru

2003-01-01

372

To design more radiation tolerant Integrated Circuits (ICs), it is essential to create and test accurate models of ionizing radiation induced charge collection dynamics within microcircuits. A new technique, Diffusion Time Resolved Ion Beam Induced Charge Collection (DTRIBICC), is proposed to measure the average arrival time of the diffused charge at the junction. Specially designed stripe-like junctions were experimentally studied using a 12 MeV carbon microbeam with a spot size of 1 {micro}m. The relative arrival time of ion-generated charge is measured along with the charge collection using a multiple parameter data acquisition system. The results show the importance of the diffused charge collection by junctions, which is especially significant in accounting for Multiple Bit Upset (MBUs) in digital devices.

GUO,B.N.; BOUANANI,M.E.; RENFROW,S.N.; WALSH,DAVID S.; DOYLE,BARNEY L.; ATON,T.J.; SMITH,E.B.; BAUMANN,R.C.; DUGGAN,J.L.; MCDANIEL,F.D.

2000-06-14

373

-Shell Ions for X-Ray Astronomy F 136 E. W. SCHMIDT1 , S. SCHIPPERS1 , C. BRANDAU1,2 , D. BERNHARDT1 , AÂ17 Ã? bandpass [1]. This has been identified as an unresolved transition array (UTA) of 2p 3d inner shell absorption by iron ions with an open M-shell (Fe IÂFe XVI). This UTA can be be used as a powerful

Savin, Daniel Wolf

374

NASA Astrophysics Data System (ADS)

We propose a simple model to explain the nonmonotonic concentration dependence of the mean activity coefficient of simple electrolytes without using any adjustable parameters. The primitive model of electrolytes is used to describe the interaction between ions computed by the adaptive grand canonical Monte Carlo method. For the dielectric constant of the electrolyte, we use experimental concentration dependent values. This is included through a solvation term in our treatment to describe the interaction between ions and water that changes as the dielectric constant changes with concentration. This term is computed by a Born-treatment fitted to experimental hydration energies. Our results for LiCl, NaCl, KCl, CsCl, NaBr, NaI, MgCl2, CaCl2, SrCl2, and BaCl2 demonstrate that the principal reason of the nonmonotonic behavior of the activity coefficient is a balance between the solvation and ion-ion correlation terms. This conclusion differs from previous studies that assumed that it is the balance of hard sphere repulsion and electrostatic attraction that produces the nonmonotonic behavior. Our results indicate that the earlier assumption that solvation can be taken into account by a larger, "solvated" ionic radius should be reconsidered. To explain second order effects (such as dependence on ionic size), we conclude that explicit water models are needed.

Vincze, Julianna; Valiskó, Mónika; Boda, Dezs?

2010-10-01

375

Metal ions diffusion through polymeric matrices: A total reflection X-ray fluorescence study

NASA Astrophysics Data System (ADS)

This work proposes the use of X-ray fluorescence with total reflection geometry to explore the metal ions transport in aqueous hydrophilic polymer solutions. It is centered in the study of polymer concentration influence on ion diffusion. This subject is relevant to various and diverse applications, such as drug controlled release, microbiologic corrosion protection and enhanced oil recovery. It is anticipated that diffusion is influenced by various factors in these systems, including those specific to the diffusing species, such as charge, shape, molecular size, and those related to the structural complexity of the matrix as well as any specific interaction between the diffusing species and the matrix. The diffusion of nitrate salts of Ba and Mn (same charge, different hydrodynamic radii) through water-swollen polymeric solutions and gels in the 0.01% to 1% concentration ranges was investigated. The measurements of the metal concentration were performed by TXRF analysis using the scattered radiation by the sample as internal standard. Results are discussed according to different physical models for solute diffusion in polymeric solutions.

Boeykens, S.; Caracciolo, N.; D'Angelo, M. V.; Vázquez, C.

2006-11-01

376

Diffusion coefficients for Tl, Pb, Cd, In, Zn, Bi, As, Mo and Sb in hydrous rhyolite at 100-200 MPa

NASA Astrophysics Data System (ADS)

A series of experiments have been conducted to determine the diffusivities of Tl, Pb, Cd, In, Zn, Bi, As, Mo and Sb in hydrous rhyolitic melt. Diffusion experiments used two adjoining glass cylinder of the same hydrous composition, one doped with the elements of interest at ~ 100 ppm. These couples were rapidly heated to 850, 1000 and 1150°C at 100-200 MPa for a few hours. After quenching the sectioned charges were analyzed by both synchrotron XRF (The Diamond Light Source) and LA-ICP-MS (University of Oxford). The data shows excellent correlation between these two techniques. The diffusion profiles were fitted to a 1-D diffusion couple equation to determine the diffusivities and fitting to the different temperature runs defined the Arrhenius parameters. We find that for 850°C the diffusion coefficients follow the trend Tl>Pb>Cd>Zn>In>Bi>As>Sb>Mo. Additional experiments were performed with either S or Cl added (to both sides of the diffusion couple). In general S increases the diffusion rate of all metals except Mo and Sb, which diffuse slower in the presence of S. Chlorine also speeds up the diffusion of metals with the exception of In, Mo and Sb. The systematic change in diffusivities of these metals and their different behaviour in the presence of the ligands that are also observed to be significant in volcanic gases, are important in determining the distribution of these metals during degassing (e.g. MacKenzie and Canil, 2008). This is particularly important in a dynamic environment such as a volcanic conduit. There are also implications for economic exploration and well as hazard mitigation.

Berlo, Kim; Brooker, Richard; Wilke, Max

2014-05-01

377

NASA Astrophysics Data System (ADS)

Diffusion coefficient of dissolved CO_ at 40 bar pressure and 21 ± 1°C was calculated using Raman spectroscopy of aqueous solutions, from 0 to 6 molNaCl . Kg^-1 H_2O, loaded in a High-Pressure Optical Cell.

Belgodere, C.; Dubessy, J.; Sterpenich, J.; Pironon, J.; Vautrin, D.; Caumon, M. C.; Robert, P.; Randi, A.; Birat, J. P.

2014-06-01

378

NASA Astrophysics Data System (ADS)

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.

Kamazawa, Kazuya; Harada, Masashi; Araki, Toru; Matsuo, Yasumitsu; Tyagi, Madhusudan; Sugiyama, Jun

2014-07-01

379

Purpose The objective of our study was to analyze the differences between apparent diffusion coefficient (ADC) partitions (created using the K-Means algorithm) between benign and malignant neck lesions and evaluate its benefit in distinguishing these entities. Material and methods MRI studies of 10 benign and 10 malignant proven neck pathologies were post-processed on a PC using in-house software developed in MATLAB (The MathWorks, Inc., Natick, MA). Lesions were manually contoured by two neuroradiologists with the ADC values within each lesion clustered into two (low ADC-ADCL, high ADC-ADCH) and three partitions (ADCL, intermediate ADC-ADCI, ADCH) using the K-Means clustering algorithm. An unpaired two-tailed Student’s t-test was performed for all metrics to determine statistical differences in the means between the benign and malignant pathologies. Results Statistically significant difference between the mean ADCL clusters in benign and malignant pathologies was seen in the 3 cluster models of both readers (p=0.03, 0.022 respectively) and the 2 cluster model of reader 2 (p=0.04) with the other metrics (ADCH, ADCI, whole lesion mean ADC) not revealing any significant differences. Receiver operating characteristics curves demonstrated the quantitative difference in mean ADCH and ADCL in both the 2 and 3 cluster models to be predictive of malignancy (2 clusters: p=0.008, area under curve=0.850, 3 clusters: p=0.01, area under curve=0.825). Conclusion The K-Means clustering algorithm that generates partitions of large datasets may provide a better characterization of neck pathologies and may be of additional benefit in distinguishing benign and malignant neck pathologies compared to whole lesion mean ADC alone. PMID:20007723

Srinivasan, A.; Galbán, C.J.; Johnson, T.D.; Chenevert, T.L.; Ross, B.D.; Mukherji, S.K.

2014-01-01

380

Differences Between Quasi-linear and Exact Ion Cyclotron Resonant Diffusion

NASA Astrophysics Data System (ADS)

These studies investigate the validity of ICRF quasilinear(QL) diffusion theory by comparison of QL coefficients from the AORSA full-wave code [1] with ``exact'' Lorentz equation orbit-based coefficients calculated with the DC code using AORSA full-wave fields, for a C-Mod minority-H ICRF heating scenario. We also compare time-dependent distribution functions and power deposition obtained with the coupled CQL3D Fokker-Planck code [2], using the two RF diffusion sets. The resulting synthetic diagnostic NPA energy spectra are compared with experiment. Initial results indicate that ``exact'' RF coefficient-based NPA spectra give improved agreement with experiment [3]. This work investigates the dominant causes of the QL/``exact'' RF diffusion discrepancy.[4pt] [1] E.F. Jaeger et al, Nucl. Fusion 46, (2006) S397-S408.[0pt] [2] R.W. Harvey and M.G. McCoy, http://www.compxco.com/cql3d.html.[0pt] [3] A. Bader et al, Proc. of 13th RF Power in Plasmas Conference, Newport, RI (2011).

Harvey, R. W.; Petrov, Y. V.; Jaeger, E. F.; Bader, A.; Bonoli, P. T.

2011-11-01

381

NASA Astrophysics Data System (ADS)

This paper presents a method of the measurement of the optical absorption coefficient of the Ar8+ ions implanted layers in the p-type silicon substrate. The absorption coefficient is calculated using a value of the attenuation of amplitudes of a photothermal radiometry (PTR) and/or a modulation free carrier absorption (MFCA) signals and the implanted layer thickness calculated by means of the TRIM program. The proposed method can be used to indicate the amorphization of the ions implanted layers.

Chrobak, ?.; Mali?ski, M.; Pawlak, M.

2014-11-01

382

Transverse momentum correlations in the azimuthal angle of hadrons produced owing to minijets are first studied within the HIJING Monte Carlo model in high-energy heavy-ion collisions. Quenching of minijets during thermalization is shown to lead to significant diffusion (broadening) of the correlation. Evolution of the transverse momentum density fluctuation that gives rise to this 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. This 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 hypersurface and is found to be further diffused for higher values of the shear viscosity to entropy density ratio, {eta}/s{approx}0.2-0.4. Therefore the final transverse momentum correlation in azimuthal angle can be used to study the thermalization of minijets in the early stage of heavy-ion collisions and the viscous effect in the hydrodynamic evolution of strongly coupled quark-gluon plasma.

Pang Longgang; Wang Qun [Interdisciplinary Center for Theoretical Study and Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Wang Xinnian [Nuclear Science Division, MS 70R0319, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Institut fuer Theoretische Physik, Johann Wolfgang Goethe-Universitaet, Max-von-Laue-Str. 1, D-60438 Frankfurt am Main (Germany); Xu Rong [Institut fuer Theoretische Physik, Johann Wolfgang Goethe-Universitaet, Max-von-Laue-Str. 1, D-60438 Frankfurt am Main (Germany); Institute of Particle Physics, Huazhong Normal University, Wuhan 430079 (China)

2010-03-15

383

Quasi-linear pitch angle and energy diffusion of pickup ions near Comet Halley

NASA Technical Reports Server (NTRS)

The process of ion pickup in the environment of Halley's comet is studied in order to see if velocity diffusion driven by the observed level of turbulence can explain the observed development of the implanted ion distribution. The theoretical description used is based on a quasi-linear approach and considers the implantation and transport of cometary ions along solar wind flow lines. To make such a study requires some way of extrapolating the measurements on the Giotto trajectory into the upstream region; models for mass loading and turbulence are used. A simplified kinetic equation describing the source, convection, and quasi-linear velocity diffusion of the heavy cometary ions is solved numerically along flow lines parallel to the sun-comet line. Full two-dimensional (pitch angle and velocity) distributions are obtained at positions along the Giotto trajectory, which are compared with measurements. This study finds that quasi-linear theory, with the empirical model for the observed turbulence level, produces the right order of pitch angle diffusion.

Huddleston, D. E.; Johnstone, A. D.; Coates, A. J.; Neubauer, F. M.

1991-01-01

384

One of the most essential parameters in the investigation of singularities in molecule interaction with the surface of a solid is the energy accommodation coefficient. Data on the positive ion accommodation coefficients in the energy range ˜ 1 100 eV are scarce [1], hence the value of alphai is often taken close to one, although this condition is not satisfied

V. A. Shuvalov

1979-01-01

385

Ambipolar diffusion in strongly electronegative plasma

NASA Astrophysics Data System (ADS)

This paper presents the treatment of the analytical model of ambipolar diffusion in quasi-neutral electronegative plasma consisting of electrons, a single species of negative ions and a single species of positive ions, which was proposed by Thompson J.B. [Proc. Phys. Soc., 73 (1959) 818]. We demonstrate that in plasma with the concentration of negative ions more than 10 times exceeding that of electrons one has to take into account the mobility of negative and positive ions. We established that in strongly electronegative plasma when both conditions ? >> 1 (? = n-/ne) and ?e << ?.?- hold, the ambipolar diffusion coefficients for positive and negative ions as well as electrons are close to the coefficients of their free diffusion. Consequently in strongly electronegative plasma the diffusion ceases to be ambipolar (even for large plasma concentration) and becomes to be free, i.e. charged particles of different species and sign cease to affect the diffusion motion of each other.

Lisovskiy, Valeriy; Yegorenkov, Vladimir

2012-10-01

386

NASA Astrophysics Data System (ADS)

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.

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

387

Distribution of energetic positive ion species above a diffuse midnight aurora

NASA Technical Reports Server (NTRS)

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.

Moore, T. E.; Evans, D. S.

1979-01-01

388

NASA Astrophysics Data System (ADS)

In this paper, the variable-coefficient diffusion—advection (DA) equation, which arises in modeling various physical phenomena, is studied by the Lie symmetry approach. The similarity reductions are derived by determining the complete sets of point symmetries of this equation, and then exact and numerical solutions are reported for the reduced second-order nonlinear ordinary differential equations. Further, an extended (G'/G)-expansion method is applied to the DA equation to construct some new non-traveling wave solutions.

Vikas, Kumar; K. Gupta, R.; Ram, Jiwari

2014-03-01

389

Lattice diffusion coefficients have been determined for 19 elements (Li, Be, Na, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Zn, Y,\\u000a Zr, Eu, Gd, Lu and Hf) in a single crystal of San Carlos olivine as a function of crystallographic orientation, at 1,300°C,\\u000a 1 bar and fO2 = 10?8.3 bars, by equilibration with a synthetic silicate melt. Results for Li, Na, V,

Carl Spandler; Hugh St. C. O’Neill

2010-01-01

390

A comprehensive characterisation of an ionic liquid based electrolyte for dye-sensitised solar cells (DSSC) was performed by determination of triiodide diffusion coefficients, viscosities and photovoltaic performances. The electrolyte, consisting of 1-ethyl-3-methylimidazolium dicyanamide, 1-methyl-3-propylimidazolium iodide (MPII), and iodine, was examined at varying ionic liquid molar ratio and fixed iodine concentration, as well as at fixed ionic liquid molar ratio and varying

Philipp Wachter; Markus Zistler; Christian Schreiner; Marko Berginc; Urša Opara Krašovec; Dirk Gerhard; Peter Wasserscheid; Andreas Hinsch; Heiner J. Gores

2008-01-01

391

NASA Astrophysics Data System (ADS)

We present a first-principles calculation for the electronic and Li-ion diffusion properties of the LiFePO4 (010) surface modified by sulfur. The calculated formation energy indicates that the sulfur adsorption on the (010) surface of the LiFePO4 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 LiFePO4 [S-LiFePO4 (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-LiFePO4 (010) is estimated to be about 10-11 (cm2/s) at room temperature, which implies that sulfur modification will give rise to a higher Li ion carrier mobility and enhanced electrochemical performance.

Xu, Guigui; Zhong, Kehua; Zhang, Jian-Min; Huang, Zhigao

2014-08-01

392

Ion association in aqueous and non-aqueous solutions probed by diffusion and electrophoretic NMR.

The results of diffusion and electrophoretic NMR (eNMR) measurements are reported for a series of tetramethylammonium (TMA) electrolytes (with sulphate, fluoride, acetate, chloride, bromide, nitrate, iodide and perchlorate as anions) in deuterated solvents such as water, dimethylsulphoxide (DMSO), acetonitrile, methanol and ethanol. In addition, similar data are presented for aqueous solutions of tetraalkylammonium salts with increasing alkyl chain length. The combination of diffusion NMR and eNMR yields the effective charge for the TMA cation. Relative to the nominal charge of znom = 1 of TMA, the effective charge in the different solvents is found to be progressively smaller in the order water > DMSO > methanol > acetonitrile > ethanol. A part of this observed trend is ascribed to regular ion-ion interactions incorporated in the Onsager limiting law. Indeed, in solvents with high dielectric constants such as water, DMSO and methanol, the Onsager limiting law describes well the observations for all tetraalkylammonium ions. For ethanol and acetonitrile, there is a significant difference between the experimental data and the expected limiting-law behavior that is attributed to ion association (ion pairing) not taken into consideration by the Onsager limiting law. PMID:25529069

Giesecke, Marianne; Mériguet, Guillaume; Hallberg, Fredrik; Fang, Yuan; Stilbs, Peter; Furó, István

2015-02-01

393

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.

Zhang Xianmei; Wang Yanhui; Yu Limin; Shen Xin; Wang Jianbin [Department of Physics, East China University of Science and Technology, P.O. Box 385, Shanghai 200237 (China)

2012-07-15

394

High precision measurements of carbon disulfide negative ion mobility and diffusion

NASA Astrophysics Data System (ADS)

High precision measurements were made of reduced mobility, lateral and longitudinal diffusion of CS2- ions in 40 Torr CS2 and a 30-10 Torr CS2-CF4 gas mixture. The reduced mobility was found to be 0.4645 ± 0.0006 cm2 atm/s V in CS2 and 0.523 ± 0.001 cm2 atm/s V in the CS2-CF4 gas mixture at STP. The lateral diffusion temperatures for these two gases (295 ± 15 K and 297 ± 6 K) were found to be in good agreement with room temperature. By contrast longitudinal diffusion temperature was found to be slightly elevated (319 ± 10 (stat) ± 8 (sys) K and 310 ± 20 (stat) ± 6 (sys) K) though given the errors, room temperature diffusion cannot be ruled out. For lateral diffusion, significant capture distances (0.21 ± 0.07 mm and 0.15 ± 0.03 mm) were measured while for longitudinal diffusion the results were not conclusive.

Snowden-Ifft, D. P.; Gauvreau, J.-L.

2013-05-01

395

This article is an important theoretical development of the previous articles (I) and (III) in which are introduced the basic concepts of the theory. Here, diffusion equations are established and their solutions are given for the simple model with one elastic constant and isotropy of reciprocal space. The classical diffusion laws for translation (Fick law) and rotation are recovered in

F. Volino

1997-01-01

396

We present the first detailed ab initio quantum mechanical calculations for total and state-specific recombination rate coefficients for e + Ni III --> Ni II. These rates are obtained using a unified treatment for total electron-ion recombination that treats the nonresonant radiative recombination and the resonant dielectronic recombination in a self-consistent unified manner in the close coupling approximation. Large-scale calculations are carried out using a 49-state wavefunction expansion from core configurations 3d^8, 3d^74s, and 3d^64p that permits the inclusion of prominent dipole allowed core transitions. These extensive calculations for the recombination rates of Ni II required hundreds of CPU hours on the Cray T90. The total recombination rate coefficients are provided for a wide range of temperature. The state-specific recombination rates for 532 bound states of doublet and quartet symmetries, and the corresponding photoionization cross sections for leaving the core in the ground state, are presented. Present total recombination rate coefficients differ considerably from the currently used data in astrophysical models.

Sultana N. Nahar; Manuel A. Bautista

2001-02-12

397

NASA Astrophysics Data System (ADS)

SiC is a promising material for nuclear applications and is a critical component in the construction of tristructural isotropic (TRISO) fuel. A primary issue with TRISO fuel operation is the observed release of 110mAg from intact fuel particles. The release of Ag has prompted research efforts to directly measure the transport mechanism of Ag in bulk SiC. Recent experimental efforts have focused primarily on Ag ion implantation designs. The effect of the thermal exposure system on the ion implantation surface has been investigated. Results indicate the utilization of a mated sample geometry and the establishment of a static thermal exposure environment is critical to maintaining an intact surface for diffusion analysis. The nature of the implantation surface and its potential role in Ag diffusion analysis are discussed.

Gerczak, Tyler J.; Zheng, Guiqiu; Field, Kevin G.; Allen, Todd R.

2015-01-01

398

CCSD(T) ground state potential curves of Pb···RG systems (RG = He, Ne and Ar) are presented and the importance of the inclusion of spin-orbit effects is discussed. The closed-shell character of the Pb atom at the two-component relativistic level of relativistic theory leads to shallower potential energy curves compared to scalar relativistic open-shell calculations. The pressure-independent cross-diffusion coefficients pD12 have been simulated using the extrapolated two-component CCSD(T) ground state potential curves. The diffusion coefficients from scattering theory are compared with simulations based on molecular dynamics (MD) using the velocity autocorrelation function (VACF) and the Einstein equation. A correction for the proper assessment of the uncertainty in the VACF is proposed. The acceleration of the MD simulation of Pb in RG diffusion is proposed utilizing the RG in Pb diffusion. The dU[TQ]Z/CCSD(T) potential curve of Pb···He (De = 8.667 cm(-1), re = 4.683 Å) supports only one vibrational level. The anharmonicity of this potential is compared to the potential of He···He which also supports only one vibrational level. The comparison is based on the mean square separations of the vibrational wave function. PMID:25072899

Sladek, Vladimir; Bu?inský, Lukáš; Matuška, Ján; Il?in, Michal; Lukeš, Vladimír; Laurinc, Viliam

2014-09-14

399

NASA Astrophysics Data System (ADS)

A class of higher order compact (HOC) schemes has been developed with weighted time discretization for the two-dimensional unsteady convection-diffusion equation with variable convection coefficients. The schemes are second or lower order accurate in time depending on the choice of the weighted average parameter and fourth order accurate in space. For 0.51, the schemes are unconditionally stable. Unlike usual HOC schemes, these schemes are capable of using a grid aspect ratio other than unity. They efficiently capture both transient and steady solutions of linear and nonlinear convection-diffusion equations with Dirichlet as well as Neumann boundary condition. They are applied to one linear convection-diffusion problem and three flows of varying complexities governed by the two-dimensional incompressible Navier-Stokes equations. Results obtained are in excellent agreement with analytical and established numerical results. Overall the schemes are found to be robust, efficient and accurate. Copyright

Kalita, Jiten C.; Dalal, D. C.; Dass, Anoop K.

2002-04-01

400

Theory of dust and dust-void structures in the presence of the ion diffusion.

A dust void is a dust-free region inside the dust cloud that often develops for conditions relevant to plasma processing discharges and complex plasma experiments. A distinctive feature of the void is a sharp boundary between the dust and dust-free regions; this is manifested especially clear when dissipation in the plasma is small and discontinuity of the dust number density appear. Here, the structure of the dust void boundary and the distribution of the dust and plasma parameters in the dust structure bordering the void is analyzed taking into account effects of dissipation due to the ion diffusion on plasma neutrals. The sharp boundary between the dust and void regions exists also in the presence of the ion diffusion; however, only derivatives of the dust density, dust charge, electron density and electric field are discontinuous at the void boundaries, while the functions themselves as well as derivatives of the ion drift velocity and the ion density are continuous. Numerical calculations demonstrate various sorts of diffusive dust void structures; the possibility of singularities in the balance equations caused by the diffusion process inside the dust structures is investigated. These singularities can be responsible for a new type of shocklike structures. Other structures are typically self-organized to eliminate the singularities. Numerical computations in this case demonstrate a set of thin dust layers separated by high density thin dust clouds similar to the multiple-layer dust structures observed in the laboratory and in the upper ionosphere. The possibility for existence of a few equilibrium positions of the void boundary is discussed. PMID:15697515

Tsytovich, V N; Vladimirov, S V; Morfill, G E

2004-12-01

401

NASA Astrophysics Data System (ADS)

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.

Hu, Chengyao; Huang, Pei

2011-05-01

402

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.

Wang, Yangyang [ORNL; Sun, Che-Nan [Oak Ridge National Laboratory (ORNL); Fan, Fei [ORNL; Sangoro, Joshua R [ORNL; Berman, Marc [Hunter College of the City University of New York; Greenbaum, Steve [Hunter College of the City University of New York; Zawodzinski, Thomas [University of Tennessee, Knoxville (UTK); Sokolov, Alexei P [ORNL

2013-01-01

403

Silicon Self-Diffusion in Isotope Heterostructures

Self-diffusion of silicon is measured between 855 and 1388 °C in highly isotopically enriched 28Si layers. The profiles of 29Si and 30Si are determined by secondary ion mass spectrometry. Temperature dependence of the self-diffusion coefficients is accurately described over seven orders of magnitude with one diffusion enthalpy of 4.75 eV. This single enthalpy indicates that self-interstitials dominate self-diffusion. The high

H. Bracht; E. E. Haller; R. Clark-Phelps

1998-01-01

404

NASA Astrophysics Data System (ADS)

An energy-dependent, perturbation expansion solution for heavy ion transport in one dimension is used to perform depth-dose calculations for 670/MeV nucleon Ne-20 beams incident upon a thick water target. Comparisons of predictions obtained by using typical energy-independent approximations and those obtained with fully energy-dependent input parameters are made. It is found that the calculated doses are underestimated when the energy-independent input approximations are used. The major source of error, however, is the lack of charge and mass conservation in the Silberberg-Tsao fragmentation parameters.

Townsend, Lawrence W.; Wilson, John W.

1986-12-01

405

NSDL National Science Digital Library

Diffusion is the net movement of particles from areas of high concentration (number of particles per unit area) to low concentration. In this activity, students use a molecular dynamics model to view the behavior of diffusion in gases and liquids.

2012-07-19

406

The aqueous solubility of metformin (pKa: 2.8 and 11.5) in the pH range of 1.2-6.8 is 300 mg/mL. Thus, the dissolution of metformin hydrochloride tablets should be pH independent. However, 850 mg metformin hydrochloride tablets dissolved more slowly in pH 1.2 and 4.5 dissolution media than in pH 6.8 medium. It is hypothesized that the additional protonation of metformin at the acidic pH results in higher solvation and a larger hydrodynamic radius, leading to slower diffusion and dissolution. This hypothesis was supported by the observation that cationic metformin and anionic sodium lauryl sulfate (SLS), 0.1% (w/v), formed an insoluble salt (1:2 molar ratio) at pH 1.2 and 4.5, but not at pH 6.8. SLS at 0.01% (w/v) in all three media enhanced metformin dissolution. The slower metformin dissolution at pH 1.2 and 4.5 media with SLS can be attributed to the formation of metformin-lauryl sulfate (Met-LS) (1:2 and 1:1) ion pairs, which are more hydrophobic than Met-LS (1:1) ion pairs at pH 6.8. Slower metformin diffusivity in pH 4.5 with 0.05% (w/v) SLS was observed by diffusion-ordered spectroscopy nuclear magnetic resonance. Improved metformin wetting by SLS outweighed the lower diffusivity of metformin-LS ion pairs because similar enhancement in dissolution was noted with 0.5% (w/v) nonionic polysorbate 80. PMID:24549733

Desai, Divyakant; Wong, Benjamin; Huang, Yande; Ye, Qingmei; Tang, Dan; Guo, Hang; Huang, Ming; Timmins, Peter

2014-03-01

407

Multispecies diffusion models: A study of uranyl species diffusion

NASA Astrophysics Data System (ADS)

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.

Liu, Chongxuan; Shang, Jianying; Zachara, John M.

2011-12-01

408

Transport coefficients of a unitarized pion gas

The latest experimental results in relativistic heavy-ion collisions show that the matter there produced requires transport coefficients because of the important collective properties found. We review the theoretical calculation of these transport coefficients in the hadron side at low temperatures by computing them in a gas composed of low energy pions. The interaction of these pions is taken from an effective chiral theory and further requiring scattering unitarity. The propagation of D and D* mesons in the thermalized pion gas is also studied in order to extract the heavy quark diffusion coefficients in the system.

Juan M. Torres-Rincon

2011-11-16

409

Thermodynamic evaluation of mass diffusion in ionic mixtures

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.

Kagan, Grigory; Tang, Xian-Zhu [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

2014-02-15

410

Xenon diffusion following ion implantation into feldspar - Dependence on implantation dose

NASA Technical Reports Server (NTRS)

The diffusion properties of xenon implanted into feldspar, a major mineral in meteorites and lunar samples, are investigated in light of the importance of xenon diffusion in the interpretation of early solar system chronologies and the retention time of solar-wind-implanted Xe. Known doses of Xe ions were implanted at an energy of 200 keV into single-crystal plagioclase targets, and depth profiles were measured by alpha particle backscattering before and after annealing for one hour at 900 or 1000 C. The fraction of Xe retained following annealing is found to be strongly dependent on implantation dose, being greatest at a dose of 3 x 10 to the 15th ions/sq cm and decreasing at higher and lower doses. Xe retention is also observed to be unaffected by two-step anneals, or by implantation with He or Ar. Three models of the dose-dependent diffusion properties are considered, including epitaxial crystal regrowth during annealing controlled by the extent of radiation damage, the creation of trapping sites by radiation damage, and the inhibition of recrystallization by Xe during annealing

Melcher, C. L.; Burnett, D. S.; Tombrello, T. A.

1982-01-01

411

Current flow through the channel formed in planar phospholipid hilayer membranes by the PA~ fragment of anthrax toxin is blocked, in a voltage-dependent manner, by tetraalkylammonium ions (at micromolar concentra- tions), which bind to a blocking site within the channel lumen. We have presented evidence that diffusion plays a significant role in the kinetics of blocking by tetrabutylammonium ion (Bu4N

ROBERT O. BLAUSTEIN; ALAN FINKELSTEIN

1990-01-01

412

A simple fluorescence recovery after photobleaching (FRAP) apparatus using a fluorescence microscope with a conventional mercury arc lamp, working under conditions of "uniform disk illumination" is described. This set-up was designed essentially for the use of anthracene as fluorescent probe, which is bleached (photodimerization reaction) by illumination in the near ultraviolet range (360 nm). It is shown that the lateral diffusion coefficients D can be readily calculated from fluorescence recovery curves using a finite differentiate method in combination with statistical analysis of the data. In contrast to the analytical solutions so far described, this numerical approach is particularly versatile. With a minimization algorithm, D and the probe mobile fraction can be readily calculated for any recovery time under various experimental conditions. These include different probe concentration profiles in the illuminated area after the bleaching step, and situations of infinite or noninfinite reservoir in the diffusion area outside the illuminated area. PMID:3395663

Lopez, A; Dupou, L; Altibelli, A; Trotard, J; Tocanne, J F

1988-06-01

413

Chaotic ion motion in magnetosonic plasma waves

NASA Technical Reports Server (NTRS)

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.

Varvoglis, H.

1984-01-01

414

Dissociative recombination of the deuterated acetaldehyde ion CD3CDO(+) has been studied at the heavy-ion storage ring CRYRING, located at the Manne Siegbahn Laboratory, Stockholm, Sweden. Product branching fractions together with absolute DR cross-sections were measured. The branching fractions were determined at a relative collision energy between the ions and the electrons of approximately 0 eV. With a probability of 34% the DR events resulted in no ruptures of bonds between heavy atoms (i.e. no breakage of the C-C bond or the C[double bond, length as m-dash]O bond). In the remaining 66% of the events one of the bonds between the heavy atoms was broken. The energy-dependent cross-section for the DR reaction was measured between approximately 0 and 1 eV relative kinetic energy. In the energy region between 1 meV and 0.2 eV the absolute cross section could be fitted by the expression sigma(E) = 6.8 x 10(-16)E(-1.28) cm(2), whereas in the energy interval between 0.2 and 1 eV the data were best fitted by sigma(E) = 4.1 x 10(-16)E(-1.60) cm(2). From these cross section data the thermal rate coefficient (as a function of the electron temperature), alpha(T) = 9.2 x 10(-7) (T/300)(-0.72) cm(3) s(-1) was obtained. PMID:17538730

Vigren, Erik; Kami?ska, Magdalena; Hamberg, Mathias; Zhaunerchyk, Vitali; Thomas, Richard D; Semaniak, Jacek; Danielsson, Mathias; Larsson, Mats; Geppert, Wolf D

2007-06-14

415

NASA Astrophysics Data System (ADS)

Ion-irradiation induced diffusion and the phase transformation of a bixbyite-fluorite related rare earth oxide thin films are studied. This work is focused on yttrium sesquioxide, Y2O3, thin films deposited on Si (1 0 0) substrates using the ion beam sputtering technique (IBS). As-deposited samples were annealed ant then irradiated at cryogenic temperature (80 K) with 260 keV Xe2+ at different fluences. The irradiated thin oxide films are characterized by X-ray diffraction. A cubic to monoclinic phase transformation was observed. Analysis of this phenomenon is done in terms of residual stresses. Stress measurements as a function of irradiation fluences were realised using the XRD-sin2? method. Stress evolution and kinetic of the phase transformation are compared and leads to the role-played by the nucleation of point and extended defects.

Rolly, Gaboriaud; Fabien, Paumier; Bertrand, Lacroix

2014-05-01

416

The temperature-dependent viscosity, ionic conductivity, and self-diffusion coefficients of an ionic liquid, 1-ethyl-3-methylimidazolium bis(fluorosulfonyl)amide ([emim][FSA]), and its Li salt mixture were studied with reference to emim bis(trifluoromethyl