Calculation of self-diffusion coefficients in iron
Directory of Open Access Journals (Sweden)
Baohua Zhang
2014-01-01
Full Text Available 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 (α, δ, γ and ɛ 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.
Nonscaling calculation of the effective diffusion coefficient in periodic channels
Kalinay, Pavol
2017-01-01
An algorithm calculating the effective diffusion coefficient D(x) in 2D and 3D channels with periodically varying cross section along the longitudinal coordinate x is presented. Unlike other methods, it is not based on scaling of the transverse coordinates, or the smallness of the width of the channel. The result is expressed as an integral of specific contributions to D(x) coming from the positions neighboring to x. The method avoids the hierarchy of derivatives of the channel shaping function h(x), so it is also suitable for the channels with cusps or jumps of their width. The method describes correctly D(x) in wide channels, giving the expected behavior in the limit of infinite width (no confinement).
Diffusion coefficients for LMFBR cells calculated with MOC and Monte Carlo methods
Energy Technology Data Exchange (ETDEWEB)
Rooijen, W.F.G. van, E-mail: rooijen@u-fukui.ac.j [Research Institute of Nuclear Energy, University of Fukui, Bunkyo 3-9-1, Fukui-shi, Fukui-ken 910-8507 (Japan); Chiba, G., E-mail: chiba.go@jaea.go.j [Japan Atomic Energy Agency, 2-4 Shirakata Shirane, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan)
2011-01-15
The present work discusses the calculation of the diffusion coefficient of a lattice of hexagonal cells, with both 'sodium present' and 'sodium absent' conditions. Calculations are performed in the framework of lattice theory (also known as fundamental mode approximation). Unlike the classical approaches, our heterogeneous leakage model allows the calculation of diffusion coefficients under all conditions, even if planar voids are present in the lattice. Equations resulting from this model are solved using the method of characteristics (MOC). Independent confirmation of the MOC result comes from Monte Carlo calculations, in which the diffusion coefficient is obtained without any of the assumptions of lattice theory. It is shown by comparison to the Monte Carlo results that the MOC solution yields correct values of the diffusion coefficient under all conditions, even in cases where the classic calculation of the diffusion coefficient fails. This work is a first step in the development of a robust method to calculate the diffusion coefficient of lattice cells. Adoption into production codes will require more development and validation of the method.
Calculation of the coefficient and dynamics of water diffusion in graphite joints
Institute of Scientific and Technical Information of China (English)
WANG Jun; LIU Wen-bin
2006-01-01
The coefficient and dynamics of water diffusion in adhesive-graphite joints were calculated insitu with energy dispersive X-ray (EDX) analysis, a method that is significantly simpler than elemental analysis. Water diffusion coefficient and dynamics of adhesive-graphite joints treated by different surface treatment methods were also investigated. Calculation results indicated that the water diffusion rate in adhesive-graphite joints treated by sandpaper was higher than that treated by chemical oxidation or by silane couple agent. Also the durability of graphite joints treated by coupling agent is superior to that treated by chemical oxidation or sandpaper burnishing.
Institute of Scientific and Technical Information of China (English)
Wu Qiong; Li Shu-Suo; Ma Yue; Gong Sheng-Kai
2012-01-01
The diffusion coefficients of several alloying elements (Al,Mo,Co,Ta,Ru,W,Cr,Re) in Ni are directly calculated using the five-frequency model and the first principles density functional theory.The correlation factors provided by the five-frequency model are explicitly calculated.The calculated diffusion coefficients show their excellent agreement with the available experimental data.Both the diffusion pre-factor (Do) and the activation energy (Q) of impurity diffusion are obtained.The diffusion coefficients above 700 K are sorted in the following order:DAl ＞ DCr ＞ DCo ＞ DTa ＞DMo ＞ DRu ＞ DW ＞ DRe.It is found that there is a positive correlation between the atomic radius of the solute and the jump energy of Ni that results in the rotation of the solute-vacancy pair (E1).The value of E2-E1 (E2 is the solute diffusion energy) and the correlation factor each also show a positive correlation.The larger atoms in the same series have lower diffusion activation energies and faster diffusion coefficients.
Charsooghi, Mohammad A.; Akhlaghi, Ehsan A.; Tavaddod, Sharareh; Khalesifard, H. R.
2011-02-01
We developed a graphical user interface, MATLAB based program to calculate the translational diffusion coefficients in three dimensions for a single diffusing particle, suspended inside a fluid. When the particles are not spherical, in addition to their translational motion also a rotational freedom is considered for them and in addition to the previous translational diffusion coefficients a planar rotational diffusion coefficient can be calculated in this program. Time averaging and ensemble averaging over the particle displacements are taken to calculate the mean square displacement variations in time and so the diffusion coefficients. To monitor the random motion of non-spherical particles a reference frame is used that the particle just have translational motion in it. We call it the body frame that is just like the particle rotates about the z-axis of the lab frame. Some statistical analysis, such as velocity autocorrelation function and histogram of displacements for the particle either in the lab or body frames, are available in the program. Program also calculates theoretical values of the diffusion coefficients for particles of some basic geometrical shapes; sphere, spheroid and cylinder, when other diffusion parameters like temperature and fluid viscosity coefficient can be adjusted. Program summaryProgram title: KOJA Catalogue identifier: AEHK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHK_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 48 021 No. of bytes in distributed program, including test data, etc.: 1 310 320 Distribution format: tar.gz Programming language: MatLab (MathWorks Inc.) version 7.6 or higher. Statistics Toolbox and Curve Fitting Toolbox required. Computer: Tested on windows and linux, but generally it would work on any
Ab initio calculation of oxygen self-diffusion coefficient in uranium dioxide UO2
Dorado, Boris; Garcia, Philippe; Torrent, Marc
Uranium dioxide UO2 is the most widely used nuclear fuel worldwide and its atomic transport properties are relevant to practically all engineering aspects of the material. Although transport properties have already been studied in UO2 by means of first-principles calculations, the ab initio determination of self-diffusion coefficients has up to now remained unreachable because the relevant computational tools were neither available or adapted. The present work reports our results related to the ab initio calculation of the oxygen self-diffusion coefficient in UO2. We first determine the Gibbs free energies of formation of oxygen charged defects by calculating both the electronic and vibrational (hence entropic) contributions. Then, we use the transition state theory in order to compute the effective jump frequency of the defects, which in turn provides us with the value of the pre-exponential factor. The results are compared to self-diffusion data obtained experimentally with a careful monitoring of the relevant thermodynamic conditions (oxygen partial pressure, temperature, impurity content).
Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus
Lisenko, S. A.; Kugeiko, M. M.
2016-07-01
We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.
Wu, Wen; Wu, Zhouhu; Song, Zhiwen
2017-07-01
Prediction of the pollutant mixing zone (PMZ) near the discharge outfall in Huangshaxi shows large error when using the methods based on the constant lateral diffusion assumption. The discrepancy is due to the lack of consideration of the diffusion coefficient variation. The variable lateral diffusion coefficient is proposed to be a function of the longitudinal distance from the outfall. Analytical solution of the two-dimensional advection-diffusion equation of a pollutant is derived and discussed. Formulas to characterize the geometry of the PMZ are derived based on this solution, and a standard curve describing the boundary of the PMZ is obtained by proper choices of the normalization scales. The change of PMZ topology due to the variable diffusion coefficient is then discussed using these formulas. The criterion of assuming the lateral diffusion coefficient to be constant without large error in PMZ geometry is found. It is also demonstrated how to use these analytical formulas in the inverse problems including estimating the lateral diffusion coefficient in rivers by convenient measurements, and determining the maximum allowable discharge load based on the limitations of the geometrical scales of the PMZ. Finally, applications of the obtained formulas to onsite PMZ measurements in Huangshaxi present excellent agreement.
Dense fluid self-diffusion coefficient calculations using perturbation theory and molecular dynamics
Directory of Open Access Journals (Sweden)
COELHO L. A. F.
1999-01-01
Full Text Available A procedure to correlate self-diffusion coefficients in dense fluids by using the perturbation theory (WCA coupled with the smooth-hard-sphere theory is presented and tested against molecular simulations and experimental data. This simple algebraic expression correlates well the self-diffusion coefficients of carbon dioxide, ethane, propane, ethylene, and sulfur hexafluoride. We have also performed canonical ensemble molecular dynamics simulations by using the Hoover-Nosé thermostat and the mean-square displacement formula to compute self-diffusion coefficients for the reference WCA intermolecular potential. The good agreement obtained from both methods, when compared with experimental data, suggests that the smooth-effective-sphere theory is a useful procedure to correlate diffusivity of pure substances.
van der Vegt, N.F.A.; Briels, Willem J.; Wessling, Matthias; Strathmann, H.
1998-01-01
The tracer diffusion coefficients of methane in n-alkane liquids of increasing chain length were calculated by measuring the friction from short time nonequilibrium molecular dynamics simulations. The frictional constant was calculated from the exponentially decaying distance between two methane tra
Energy Technology Data Exchange (ETDEWEB)
Sugama, H.; Nishimura, S.
2002-05-01
A novel method to obtain the full neoclassical transport matrix for general toroidal plasmas by using the solution of the linearized drift kinetic equation with the pitch-angle-scattering collision operator is shown. In this method, the neoclassical coefficients for both poloidal and toroidal viscosities in toroidal helical systems can be obtained, and the neoclassical transport coefficients for the radial particle and heat fluxes and the bootstrap current with the non-diagonal coupling between unlike-species particles are derived from combining the viscosity-flow relations, the friction-flow relations, and the parallel momentum balance equations. Since the collisional momentum conservation is properly retained, the well-known intrinsic ambipolar condition of the neoclassical particle fluxes in symmetric systems is recovered. Thus, these resultant neoclassical diffusion and viscosity coefficients are applicable to evaluating accurately how the neoclassical transport in quasi-symmetric toroidal systems deviates from that in exactly-symmetric systems. (author)
Directory of Open Access Journals (Sweden)
Sabeeha Hasnain
Full Text Available 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.
Bisetti, Fabrizio
2012-12-01
Simulations of ion and electron transport in flames routinely adopt plasma fluid models, which require transport coefficients to compute the mass flux of charged species. In this work, the mobility and diffusion coefficient of thermal electrons in atmospheric premixed methane/air flames are calculated and analyzed. The electron mobility is highest in the unburnt region, decreasing more than threefold across the flame due to mixture composition effects related to the presence of water vapor. Mobility is found to be largely independent of equivalence ratio and approximately equal to 0.4m 2V -1s -1 in the reaction zone and burnt region. The methodology and results presented enable accurate and computationally inexpensive calculations of transport properties of thermal electrons for use in numerical simulations of charged species transport in flames. © 2012 The Combustion Institute.
Diffusion coefficient in photon diffusion theory
Graaff, R; Ten Bosch, JJ
2000-01-01
The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to
Diffusion coefficient in photon diffusion theory
Graaff, R; Ten Bosch, JJ
2000-01-01
The choice of the diffusion coefficient to be used in photon diffusion theory has been a subject of discussion in recent publications on tissue optics. We compared several diffusion coefficients with the apparent diffusion coefficient from the more fundamental transport theory, D-app. Application to
Energy Technology Data Exchange (ETDEWEB)
Sano, Y.; Yamamoto, S. [Yamaguchi University, Yamaguchi (Japan). Faculty of Engineering
1997-01-10
The integral form of the diffusion equation for a slab with a constant surface concentration based on the dissolved solid coordinate is derived, which presents the relation between desorption rate and integral average diffusion coefficient by the ratio of the 0 and 1st moments of concentration distribution. The relation between the 0 and 1st moments is quite insensitive to the concentration distribution governed by the diffusion equation with the concentration dependent diffusion coefficients and is satisfactorily estimated by the ratio of average to center concentration at the starting point of the regular regime. From these equations, one desorption curve is quantitatively transformed to the integral average diffusion coefficients as a function of center concentrations. The diffusion coefficient is calculated as a function of concentration by differentiating the integral average diffusion coefficients. As an example, the isothermal drying data of skim-milk aqueous solution are analyzed. 11 refs., 11 figs., 2 tabs.
da Silva, Wilton Pereira; E Silva, Cleide M D P S
2014-09-01
Cooling of fruits and vegetables, immediately after the harvest, has been a widely used method for maximizing post-harvest life. In this paper, an optimization algorithm and a numerical solution are used to determine simultaneously the convective heat transfer coefficient, hH, and the thermal diffusivity, α, 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 α 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.
Effective Diffusion Coefficients in Coal Chars
DEFF Research Database (Denmark)
Johnsson, Jan Erik; Jensen, Anker
2001-01-01
Knowledge of effective diffusion coefficients in char particles is important when interpreting experimental reactivity measurements and modeling char combustion or NO and N2O reduction. In this work, NO and N2O reaction with a bituminous coal char was studied in a fixed-bed quartz glass reactor....... The experimental results were compared with theoretical values calculated from the mean pore radius and the cross-linked pore model. The method of mean pore radius underestimated the effective diffusion coefficient more than an order of magnitude. Using the cross-linked pore model, the bimodal pore size...
Measurement of diffusion coefficients by means of cataphoresis
Hogervorst, W.; Freudenthal, J.
1967-01-01
A new measuring method for diffusion coefficients in gas mixtures is described, using the cataphoretic segregation. A DC-discharge in a gas mixture causes a segregation, which vanishes by diffusion after extinguishing the discharge. The diffusion coefficient can be calculated from the time dependenc
Ageing effect of chloride diffusion coefficient
Polder, R.B.
2006-01-01
Most of the currently used models to predict chloride ingress a constant diffusion coefficient over time. However, a reduction of the diffusion coefficient over time, is ob-served at specimens that are exposed to chlorides. This reduction of the diffusion coefficient is expressed with the ageing coe
Liu, P; Berne, B J; Liu, Pu; Harder, Edward
2003-01-01
We propose a general methodology for calculating the self-diffusion tensor from molecular dynamics for a liquid with a liquid-gas or liquid-solid interface. The standard method used in bulk fluids, based on computing the mean square displacement as a function of time and extracting the asymptotic linear time dependence from this, is not valid for systems with interfaces or for confined fluids. The method proposed here is based on imposing virtual boundary conditions on the molecular system and computing survival probabilities and specified time correlation functions in different layers of the fluid up to and including the interfacial layer. By running dual simulations, one based on MD and the other based on Langevin dynamics, using the same boundary conditions, one can fit the Langevin survival probability at long times to the MD computed survival probability, thereby determining the diffusion coefficient as a function of distance of the layers from the interface. We compute the elements of the diffusion tens...
Diffusion coefficient of three-dimensional Yukawa liquids
Energy Technology Data Exchange (ETDEWEB)
Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U. [IETP, Al Farabi Kazakh National University, 71, al Farabi ave., Almaty 050040 (Kazakhstan)
2013-11-15
The purpose of this work is an investigation of the diffusion coefficient of the dust component in complex plasma. The computer simulation of the Yukawa liquids was made on the basis of the Langevin equation, which takes into account the influence of buffer plasma on the dust particles dynamics. The Green–Kubo relation was used to calculate the diffusion coefficient. Calculations of the diffusion coefficient for a wide range of the system parameters were performed. Using obtained numerical data, we constructed the interpolation formula for the diffusion coefficient. We also show that the interpolation formula correctly describes experimental data obtained under microgravity conditions.
Effect of Rare Earths on Diffusion Coefficient and Transfer Coefficient of Carbon during Carburizing
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
The diffusion coefficient of carbon in surface layer of steel-20 rare earth carburized at 880 ℃ and 900 ℃ for 8 h was calculated by substituting the measured layer depths into the diffusion equation. The mathematical model of the transfer coefficient of carbon was deduced based on the kinetics of weight gain during gas carburizing. The calculated results show that the main reason why the gas carburizing process is accelerated is due to the obvious increase in the diffusion coefficient and transfer coefficient of carbon resulted from the addition of RE.
NEGATIVE MAXWELL-STEFAN DIFFUSION-COEFFICIENTS
KRAAIJEVELD, G; WESSELINGH, JA
1993-01-01
The existence of negative Maxwell-Stefan diffusivities is investigated. For the case where the diffusion coefficients are taken to be composition dependent, it is found that the theory of irreversible thermodynamics does not require all diffusivities to be positive definite. This theoretical result
Diffusion coefficients in viscous sodium alginate solutions
Aoki, K.; Wang, B; Chen, J.; Nishiumi, T.
2012-01-01
Sodium alginate solution, being viscous hydrocolloid, was examined voltammetricallyin the context of viscous effects by use of a ferrocenyl compound as a redox probe.Voltammograms were almost independent of concentrations of sodium alginate even ina solid-like state. Diffusion coefficients of the ferrocenyl compound did not vary withviscosity evaluated by a viscometer. Ionic conductivity of sodium alginate was alsoindependent of the viscosity. In contrast, diffusion coefficients of the latex ...
Problems with Discontinuous Diffusion/Dispersion Coefficients
Directory of Open Access Journals (Sweden)
Stefano Ferraris
2012-01-01
accurate on smooth solutions and based on a special numerical treatment of the diffusion/dispersion coefficients that makes its application possible also when such coefficients are discontinuous. Numerical experiments confirm the convergence of the numerical approximation and show a good behavior on a set of benchmark problems in two space dimensions.
Determining pitch-angle diffusion coefficients from test particle simulations
Ivascenko, A; Spanier, F; Vainio, R
2016-01-01
Transport and acceleration of charged particles in turbulent media is a topic of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering with the pitch-angle coefficient $D_{\\mu\\mu}$ playing a major role. Since the diffusion coefficient $D_{\\mu\\mu}$ can be determined analytically only for the approximation of quasi-linear theory, the determination of this coefficient from numerical simulations has, therefore, become more important. So far these simulations yield particle tracks for small-scale scattering, which can then be interpreted using the running diffusion coefficients. This method has a limited range of validity. This paper presents two new methods that allow for the calculation of the pitch-angle diffusion coefficient from numerical simulations. These methods no longer analyse particle trajectories, but the change of particle dist...
Correlation and prediction of gaseous diffusion coefficients.
Marrero, T. R.; Mason, E. A.
1973-01-01
A new correlation method for binary gaseous diffusion coefficients from very low temperatures to 10,000 K is proposed based on an extended principle of corresponding states, and having greater range and accuracy than previous correlations. There are two correlation parameters that are related to other physical quantities and that are predictable in the absence of diffusion measurements. Quantum effects and composition dependence are included, but high-pressure effects are not. The results are directly applicable to multicomponent mixtures.
Verifying reciprocal relations for experimental diffusion coefficients in multicomponent mixtures
DEFF Research Database (Denmark)
Medvedev, Oleg; Shapiro, Alexander
2003-01-01
The goal of the present study is to verify the agreement of the available data on diffusion in ternary mixtures with the theoretical requirement of linear non-equilibrium thermodynamics consisting in symmetry of the matrix of the phenomenological coefficients. A common set of measured diffusion...... coefficients for a three-component mixture consists of four Fickian diffusion coefficients, each being reported separately. However, the Onsager theory predicts the existence of only three independent coefficients, as one of them disappears due to the symmetry requirement. Re-calculation of the Fickian...... extended sets of experimental data and reliable thermodynamic models were available. The sensitivity of the symmetry property to different thermodynamic parameters of the models was also checked. (C) 2003 Elsevier Science B.V. All rights reserved....
Diffusion coefficient for reptation of polymers with kinematic disorder
2002-01-01
We give a lower bound on the diffusion coefficient of a polymer chain in an entanglement network with kinematic disorder, which is obtained from an exact calculation in a modified Rubinstein-Duke lattice gas model with periodic boundary conditions. In the limit of infinite chain length we show the diffusive motion of the polymer to be slowed down by kinematic disorder by the same factor as for a single particle in a random barrier model. (C) 2002 American Institute of Physics.
Simple deterministic dynamical systems with fractal diffusion coefficients
Klages, R
1999-01-01
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-dep...
Pressure drop coefficient of laminar Newtonian flow in axisymmetric diffusers
Energy Technology Data Exchange (ETDEWEB)
Rosa, S. [Escola Superior de Tecnologia e Gestao, Instituto Politecnico, Campus de Santa Apolonia, 5301-857 Braganca (Portugal)]. E-mail: srosa@ipb.pt; Pinho, F.T. [Centro de Estudos de Fenomenos de Transporte, DEM, Universidade do Minho, Campus de Azurem, 4800-058 Guimaraes (Portugal)]. E-mail: fpinho@fe.up.pt
2006-04-15
The laminar flow of Newtonian fluids in axisymmetric diffusers has been numerically investigated to evaluate the pressure-loss coefficient as a function of Reynolds number, diffusion angle and expansion ratio. The numerical simulations were carried out with a finite-volume based code using non-orthogonal collocated grids and second order accurate differencing schemes to discretize all terms of the transport equations. The calculations were carried out for Reynolds numbers between 2 and 200, diffusion angles from 0 deg. to 90 deg. and expansion ratios of 1.5 and 2 and the data are presented in tabular form and as correlations. A simplified 1D theoretical analysis helped explain the various contributions to the loss coefficient and its difference relative to the reversible pressure variation due to differences between the actual and fully developed friction losses, distortions of the velocity profiles and pressure non-uniformity upstream and downstream of the expansion section.
Directory of Open Access Journals (Sweden)
Mariângela Amendola
2007-12-01
Full Text Available In this work two mathematical methodologies to solve the diffusion differential equation related to the banana drying process were used in order to obtain the mass diffusion coefficient value. A simplified mathematical model was considered that was based on Fick's Law, with initial and boundary conditions according to the experimental procedure carried out for banana drying. The first methodology was performed by using an approximation of the analytical solution and the second by using the numerical simulation according to the implicit scheme of the finite difference method. The calculation was carried out by looking for the minimal value of the norm calculated between the experimental data and the theoretical results obtained using different values of the diffusion coefficient. The algorithms associated with these methodologies were implemented with Matlab. The values of the diffusion coefficient according to the first and second methodologies were 1.65 x 10-6 [m² h-1] and 1.58 x 10-6 [m² h-1] respectively, with the associated minimal residual values of 0.0269 and 0.0257.Neste trabalho se utilizaram duas metodologias matemáticas visando resolver a equação diferencial de difusão aplicada ao processo de secagem de bananas e se obter o valor do coeficiente de difusão de massa. Considerou-se um modelo matemático simplificado, baseado na Lei de Fick, com condições inicial e de contorno de acordo com procedimento experimental conduzido em secagem de bananas; a primeira metodologia foi desenvolvida usando-se uma aproximação da solução analítica e a segunda, a simulação numérica, conforme o esquema implícito do método de diferenças finitas. O cálculo dos coeficientes foi conduzido procurando-se o valor mínimo da norma calculada entre os dados experimentais e os resultados teóricos obtidos com diferentes valores do coeficiente de difusão. Os algoritmos associados a essas metodologias foram implementados com o Matlab. Os valores
Numerical Integral of Resistance Coefficients in Diffusion
Zhang, Q. S.
2017-01-01
The resistance coefficients in the screened Coulomb potential of stellar plasma are evaluated to high accuracy. I have analyzed the possible singularities in the integral of scattering angle. There are possible singularities in the case of an attractive potential. This may result in a problem for the numerical integral. In order to avoid the problem, I have used a proper scheme, e.g., splitting into many subintervals where the width of each subinterval is determined by the variation of the integrand, to calculate the scattering angle. The collision integrals are calculated by using Romberg’s method, therefore the accuracy is high (i.e., ∼10‑12). The results of collision integrals and their derivatives for ‑7 ≤ ψ ≤ 5 are listed. By using Hermite polynomial interpolation from those data, the collision integrals can be obtained with an accuracy of 10‑10. For very weakly coupled plasma (ψ ≥ 4.5), analytical fittings for collision integrals are available with an accuracy of 10‑11. I have compared the final results of resistance coefficients with other works and found that, for a repulsive potential, the results are basically the same as others’ for an attractive potential, the results in cases of intermediate and strong coupling show significant differences. The resulting resistance coefficients are tested in the solar model. Comparing with the widely used models of Cox et al. and Thoul et al., the resistance coefficients in the screened Coulomb potential lead to a slightly weaker effect in the solar model, which is contrary to the expectation of attempts to solve the solar abundance problem.
Apparent diffusion coefficient of normal adrenal glands*
Teixeira, Sara Reis; Elias, Paula Condé Lamparelli; Leite, Andrea Farias de Melo; de Oliveira, Tatiane Mendes Gonçalves; Muglia, Valdair Francisco; Elias Junior, Jorge
2016-01-01
Objective To assess the feasibility and reliability of apparent diffusion coefficient (ADC) measurements of normal adrenal glands. Materials and methods This was a retrospective study involving 32 healthy subjects, divided into two groups: prepubertal (PreP, n = 12), aged from 2 months to 12.5 years (4 males; 8 females); and postpubertal (PostP, n = 20), aged from 11.9 to 61 years (5 males; 15 females). Diffusion-weighted magnetic resonance imaging (DW-MRI) sequences were acquired at a 1.5 T scanner using b values of 0, 20, 500, and 1000 s/mm2. Two radiologists evaluated the images. ADC values were measured pixel-by-pixel on DW-MRI scans, and automatic co-registration with the ADC map was obtained. Results Mean ADC values for the right adrenal glands were 1.44 × 10-3 mm2/s for the PreP group and 1.23 × 10-3 mm2/s for the PostP group, whereas they were 1.58 × 10-3 mm2/s and 1.32 × 10-3 mm2/s, respectively, for the left glands. ADC values were higher in the PreP group than in the PostP group (p < 0.05). Agreement between readers was almost perfect (intraclass correlation coefficient, 0.84-0.94; p < 0.05). Conclusion Our results demonstrate the feasibility and reliability of performing DW-MRI measurements of normal adrenal glands. They could also support the feasibility of ADC measurements of small structures. PMID:28057963
Apparent diffusion coefficient of normal adrenal glands
Directory of Open Access Journals (Sweden)
Sara Reis Teixeira
Full Text Available Abstract Objective: To assess the feasibility and reliability of apparent diffusion coefficient (ADC measurements of normal adrenal glands. Materials and methods: This was a retrospective study involving 32 healthy subjects, divided into two groups: prepubertal (PreP, n = 12, aged from 2 months to 12.5 years (4 males; 8 females; and postpubertal (PostP, n = 20, aged from 11.9 to 61 years (5 males; 15 females. Diffusion-weighted magnetic resonance imaging (DW-MRI sequences were acquired at a 1.5 T scanner using b values of 0, 20, 500, and 1000 s/mm2. Two radiologists evaluated the images. ADC values were measured pixel-by-pixel on DW-MRI scans, and automatic co-registration with the ADC map was obtained. Results: Mean ADC values for the right adrenal glands were 1.44 × 10-3 mm2/s for the PreP group and 1.23 × 10-3 mm2/s for the PostP group, whereas they were 1.58 × 10-3 mm2/s and 1.32 × 10-3 mm2/s, respectively, for the left glands. ADC values were higher in the PreP group than in the PostP group (p < 0.05. Agreement between readers was almost perfect (intraclass correlation coefficient, 0.84-0.94; p < 0.05. Conclusion: Our results demonstrate the feasibility and reliability of performing DW-MRI measurements of normal adrenal glands. They could also support the feasibility of ADC measurements of small structures.
Data set for diffusion coefficients of alloying elements in dilute Mg alloys from first-principles
Directory of Open Access Journals (Sweden)
Bi-Cheng Zhou
2015-12-01
Full Text Available Diffusion coefficients of alloying elements in Mg are critical for the development of new Mg alloys for lightweight applications. Here we present the data set of the temperature-dependent dilute tracer diffusion coefficients for 47 substitutional alloying elements in hexagonal closed packed (hcp Mg calculated from first-principles calculations based on density functional theory (DFT by combining transition state theory and an 8-frequency model. Benchmark for the DFT calculations and systematic comparison with experimental diffusion data are also presented. The data set refers to “Diffusion coefficients of alloying elements in dilute Mg alloys: A comprehensive first-principles study” by Zhou et al. [1].
Digital speckle pattern interferometric measurement of diffusion coefficients in hydrogels
Institute of Scientific and Technical Information of China (English)
周金芳; 韩雁; 章献民; 徐坚
2003-01-01
The technique of real-time digital speckle pattern interferometry is proposed to study diffusion of surfactants in hydrogel. The diffusion coefficient is simply and directly determined from the interferograms. An example of diffusion coefficient measurement of surfactant in agarose gel demonstrates the usefulness of the method. The results obtained are compared with the theoretical simulating values.
Stochastic Modelling of the Diffusion Coefficient for Concrete
DEFF Research Database (Denmark)
Thoft-Christensen, Palle
In the paper, a new stochastic modelling of the diffusion coefficient D is presented. The modelling is based on physical understanding of the diffusion process and on some recent experimental results. The diffusion coefficients D is strongly dependent on the w/c ratio and the temperature....
Spurious chemical diffusion coefficients of Li{sup +} in electrode materials evaluated with GITT
Energy Technology Data Exchange (ETDEWEB)
Diss, E. [Paul Scherrer Inst., Villagen (Switzerland)
2005-05-05
The galvanostatic intermittent titration technique (GITT) has been used as a standard method for evaluating chemical diffusion coefficients in electrode materials in the last three decades. It will now be demonstrated that these chemical diffusion coefficients evaluated with GITT are spurious as any reaction kinetics is neglected in the GITT theory. The neglect of the reaction kinetics leads to a spurious potential dependence of the GITT diffusion coefficients with minima at those potentials where the slow scan rate cyclic voltammogram or differential capacity plot exhibits peaks even in case where the true chemical diffusion coefficient is constant. This will be demonstrated by the evaluation of GITT diffusion coefficients from numerically generated GITT experiments calculated with a constant chemical diffusion coefficient on the example of a spinel-type LiMn{sub 2}O{sub 4} electrode. (Author)
Predicting diffusion coefficients of chemicals in and through packaging materials.
Fang, Xiaoyi; Vitrac, Olivier
2017-01-22
Most of the physicochemical properties in polymers such as activity and partition coefficients, diffusion coefficients, and their activation with temperature are accessible to direct calculations from first principles. Such predictions are particularly relevant for food packaging as they can be used (1) to demonstrate the compliance or safety of numerous polymer materials and of their constitutive substances (e.g. additives, residues…), when they are used: as containers, coatings, sealants, gaskets, printing inks, etc. (2) or to predict the indirect contamination of food by pollutants (e.g. from recycled polymers, storage ambiance…) (3) or to assess the plasticization of materials in contact by food constituents (e.g. fat matter, aroma…). This review article summarizes the classical and last mechanistic descriptions of diffusion in polymers and discusses the reliability of semi-empirical approaches used for compliance testing both in EU and US. It is concluded that simulation of diffusion in or through polymers is not limited to worst-case assumptions but could also be applied to real cases for risk assessment, designing packaging with low leaching risk or to synthesize plastic additives with low diffusion rates.
Numerical integral of resistance coefficients in diffusion
Zhang, Q S
2016-01-01
The resistance coefficients in screen Coulomb potential of stellar plasma are evaluated in high accuracy. I have analyzed the possible singularities in the integral of scattering angle. There are possible singularities in the case of attractive potential. This may result in problem for numerical integral. In order to avoid the problem, I have used a proper scheme, e.g., splitting into many subintervals and the width of each subinterval is determined by the variation of the integrand, to calculate the scattering angle. The collision integrals are calculated by using Romberg's method therefore the accuracy is high (i.e., $ \\sim 10^{-12}$). The results of collision integrals and their derivatives in $-12 \\leq \\psi \\leq 5$ are listed. By using Hermite polynomial interpolation from those data, the collision integrals can be obtained with an accuracy of $10^{-10}$. For very weak coupled plasma ($\\psi \\geq 4.5$), analytical fittings for collision integrals are available with an accuracy of $10^{-11}$. I have compare...
Coefficient of Partial Correlation and Its Calculation
Institute of Scientific and Technical Information of China (English)
段全才; 张保法
1992-01-01
This thesis offers the general concept of coefficient of partial correlation.Starting with regres-sion analysis,the paper,by using samples,infers the general formula of expressing coefficient of partial correlation by way of simple correlation coefficient.
On the Diffusion Coefficient of Two-step Method for LWR analysis
Energy Technology Data Exchange (ETDEWEB)
Lee, Deokjung; Choi, Sooyoung [UNIST, Ulsan (Korea, Republic of); Smith, Kord S. [Massachusetts Institute of Technology, Cambridge (United States)
2015-10-15
The few-group constants including diffusion coefficients are generated from the assembly calculation results. Once the assembly calculation is done, the cross sections (XSs) are spatially homogenized, and a critical spectrum calculation is performed in order to take into account the neutron leakages of the lattice. The diffusion coefficient is also generated through the critical spectrum calculation. Three different methods of the critical spectrum calculation such as B1 method, P1 method, and fundamental mode (FM) calculation method are considered in this paper. The diffusion coefficients can also be affected by transport approximations for the transport XS calculation which is used in the assembly transport lattice calculation in order to account for the anisotropic scattering effects. The outflow transport approximation and the inflow transport approximation are investigated in this paper. The accuracy of the few group data especially the diffusion coefficients has been studied to optimize the combination of the transport correction methods and the critical spectrum calculation methods using the UNIST lattice physics code STREAM. The combination of the inflow transport approximation and the FM method is shown to provide the highest accuracy in the LWR core calculations. The methodologies to calculate the diffusion coefficients have been reviewed, and the performances of them have been investigated with a LWR core problem. The combination of the inflow transport approximation and the fundamental mode critical spectrum calculation shows the smallest errors in terms of assembly power distribution.
Mass transport coefficients from liquid thermal diffusion columns
Energy Technology Data Exchange (ETDEWEB)
Ecenarro, O.; Madariaga, J.A.; Navarro, J.L.; Santamaria, C.M. (Universidad del Pais Vasco, Bilbao (Spain). Dept. de Fisica Aplicada 2); Carrion, J.A.; Saviron, J.M. (Zaragoza Univ. (Spain). Facultad da Ciencias)
1990-03-01
Experimental data on ordinary diffusion coefficient and thermal diffusion for binary liquid systems containing hexane, heptane, benzene, toluene and carbon tetrachloride are obtained from steady and non-steady separation measurements in a thermal diffusion column. The data extraction uses a time evolution theory previously developed by the authors that accounts for density effects (the 'forgotten effect'). The comparison of the diffusion data with those of the literature provides a powerful test of the derived thermal diffusion factors. (orig.).
Apparent diffusion coefficient correlation with oesophageal tumour stroma and angiogenesis
Energy Technology Data Exchange (ETDEWEB)
Aoyagi, Tomoyoshi; Shuto, Kiyohiko; Okazumi, Shinichi; Hayano, Kohichi; Satoh, Asami; Saitoh, Hiroshige; Shimada, Hideaki; Nabeya, Yoshihiro; Matsubara, Hisahiro [Chiba University, Department of Frontier Surgery, Graduate School of Medicine, Chiba (Japan); Kazama, Toshiki [Chiba University, Department of Radiology, Graduate School of Medicine, Chiba (Japan)
2012-06-15
Because diffusion-weighted imaging (DWI) can predict the prognosis of patients with oesophageal squamous cell carcinoma (ESCC), we hypothesised that apparent diffusion coefficient (ADC) values might be correlated with the collagen content and tumour angiogenesis. The purpose of this study was to determine the correlation between ADC values of ESCC before treatment and oesophageal tumour stroma and angiogenesis. Seventeen patients with ESCC were enrolled. The ADC values were calculated from the DWI score. Seventeen patients who had undergone oesophagectomy were analysed for tumour stroma, vascular endothelial growth factor (VEGF) and CD34. Tissue collagen was stained with azocarmine and aniline blue to quantitatively analyse the extracellular matrix in cancer stroma. Tissues were stained with VEGF and CD34 to analyse the angiogenesis. The ADC values decreased with stromal collagen growth. We found a negative correlation between the tumour ADC and the amount of stromal collagen (r = -0.729, P = 0.001), i.e. the ADC values decreased with growth of VEGF. We also found a negative correlation between the ADC of the tumours and the amount of VEGF (r = 0.538, P = 0.026). Our results indicated that the ADC value may be a novel prognostic factor and contribute to the treatment of oesophageal cancer. circle Magnetic resonance apparent diffusion coefficient values inversely indicate tumour stromal collagen circle There is also negative correlation between ADCs and vascular endothelial growth factor circle ADC values may contribute to the treatment of oesophageal cancer. (orig.)
Apparent diffusion coefficient correlation with oesophageal tumour stroma and angiogenesis.
Aoyagi, Tomoyoshi; Shuto, Kiyohiko; Okazumi, Shinichi; Hayano, Kohichi; Satoh, Asami; Saitoh, Hiroshige; Shimada, Hideaki; Nabeya, Yoshihiro; Kazama, Toshiki; Matsubara, Hisahiro
2012-06-01
Because diffusion-weighted imaging (DWI) can predict the prognosis of patients with oesophageal squamous cell carcinoma (ESCC), we hypothesised that apparent diffusion coefficient (ADC) values might be correlated with the collagen content and tumour angiogenesis. The purpose of this study was to determine the correlation between ADC values of ESCC before treatment and oesophageal tumour stroma and angiogenesis. Seventeen patients with ESCC were enrolled. The ADC values were calculated from the DWI score. Seventeen patients who had undergone oesophagectomy were analysed for tumour stroma, vascular endothelial growth factor (VEGF) and CD34. Tissue collagen was stained with azocarmine and aniline blue to quantitatively analyse the extracellular matrix in cancer stroma. Tissues were stained with VEGF and CD34 to analyse the angiogenesis. The ADC values decreased with stromal collagen growth. We found a negative correlation between the tumour ADC and the amount of stromal collagen (r = -0.729, P = 0.001), i.e. the ADC values decreased with growth of VEGF. We also found a negative correlation between the ADC of the tumours and the amount of VEGF (r = 0.538, P = 0.026). Our results indicated that the ADC value may be a novel prognostic factor and contribute to the treatment of oesophageal cancer. • Magnetic resonance apparent diffusion coefficient values inversely indicate tumour stromal collagen • There is also negative correlation between ADCs and vascular endothelial growth factor • ADC values may contribute to the treatment of oesophageal cancer.
DETERMINATION OF DIFFUSION COEFFICIENTS OF EXTRACTIVES IN LUPINE
Directory of Open Access Journals (Sweden)
Y. I. Shishatskii
2014-01-01
Full Text Available Summary. The work is presented by two sections: theoretical and applied. In the first section the equation for calculating concentration fields is given. To obtain additional physical information about the process the initial and boundary conditions were recorded. The equation which is the generalised theoretical decision for various geometrical forms of a material is resulted: a sphere, an unlimited cylinder and an unlimited plate. Taking into account the extracting conditions the expressions were written the attractiveness of which is in their suitability for the calculation of the mass flow of the target components of the capillary with a known surface area. The presented theoretical data gave the chance to obtain the equations for calculation of diffusion factors in the material (forms: a sphere, an unlimited cylinder, an unlimited plate. The intuition prompts that these equations are fair for all kinds of raw materials of the plant origin with the capillary porous structure as follow from the base equation which was written down by G.A. Akselrud and V.M. Lysiansky. So diffusion factors, for example, were calculated at the extraction by liquid carbon dioxide from barley grains, acorn fruits and chicory roots crushed into grains and petal. The applied part of work is devoted to the calculation of diffusion factors in a lupine at the extraction by cheese whey and to the analysis of results, using for this purpose experimental data on the kinetics of the process, background in quantitative interpretation was formulated. For example, the lupine particles had the form of a sphere, a cylinder and a plate and as one of their sizes exceeds each of remained in four or more times so the particles can be considered as unlimited bodies. Therefore, one-dimensional diffusion flux towards the minimum size takes place in them. The results of diffusion factors calculations for all forms of material are presented by schedules from which it is obvious that the
Stochastic modeling of the diffusion coefficient for concrete
DEFF Research Database (Denmark)
Thoft-Christensen, Palle
In the paper, a new stochastic modelling of the diffusion coefficient D is presented. The modelling is based on a physical understanding of the diffusion process and on some recent experimental results. The diffusion coefficient D is strongly dependent on the w/c ratio and the temperature....... A deterministic relationship between the diffusion coefficient and the w/c ratio and the temperature is used for the stochastic modelling. The w/c ratio and the temperature are modelled by log-normally and normally distributed stochastic variables, respectively. It is then shown by Monte Carlo simulation...... that the diffusion coefficient D may be modelled by a normally distributed stochastic variable. The sensitivities of D with regard to the mean values and the standard deviations are evaluated....
Moultos, Othonas A.; Zhang, Yong; Tsimpanogiannis, Ioannis N.; Economou, Ioannis G.; Maginn, Edward J.
2016-08-01
Molecular dynamics simulations were carried out to study the self-diffusion coefficients of CO2, methane, propane, n-hexane, n-hexadecane, and various poly(ethylene glycol) dimethyl ethers (glymes in short, CH3O-(CH2CH2O)n-CH3 with n = 1, 2, 3, and 4, labeled as G1, G2, G3, and G4, respectively) at different conditions. Various system sizes were examined. The widely used Yeh and Hummer [J. Phys. Chem. B 108, 15873 (2004)] correction for the prediction of diffusion coefficient at the thermodynamic limit was applied and shown to be accurate in all cases compared to extrapolated values at infinite system size. The magnitude of correction, in all cases examined, is significant, with the smallest systems examined giving for some cases a self-diffusion coefficient approximately 15% lower than the infinite system-size extrapolated value. The results suggest that finite size corrections to computed self-diffusivities must be used in order to obtain accurate results.
Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.
2016-04-01
Electron pitch angle (Dαα) and momentum (Dpp) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in Dαα and Dpp coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The Dpp diffusion coefficient for ECH waves is one to two orders smaller than Dαα coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than Dαα coefficients for the case n ≠ 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of Dαα coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10° and Landau
Chromatographic determination of the diffusion coefficients of light hydrocarbons in polymers
Yakubenko, E. E.; Korolev, A. A.; Chapala, P. P.; Bermeshev, M. V.; Kanat'eva, A. Yu.; Kurganov, A. A.
2017-01-01
Gas-chromatographic determination of the diffusion coefficients that allows for the compressibility of the mobile phase has been suggested. The diffusion coefficients were determined for light hydrocarbons C1-C4 in four polymers with a high free volume, which are candidates for use as gas-separating membranes. The diffusion coefficients calculated from chromatographic data were shown to be one or two orders of magnitude smaller than the values obtained by the membrane method. This may be due to the presence of an additional flow through the membrane caused by the pressure gradient across the membrane in membrane methods.
Study on the Diffusion Coefficient of Sodium Chloride at Infrinite Dilution in Supercritical Water
Institute of Scientific and Technical Information of China (English)
肖吉; 陆九芳; 陈健; 李以圭
2003-01-01
The molecular dynamics(MD) was employed to simulate the diffusion coefficient of sodium chloride at infinite dilution in supercritical water from 703.2K to 763.2K and from 30 MPa to 45 MPa ,Based on the simulated data and the Patel-Teja(PT) equation of state and the Liu-Ruckenstein equation,an equation for calculating the diffusion coefficient of NaCl at infinite dilution in supercritical water is proposed,Both the agreement between the simulated and correlated data,and that between the simulated and predicted data of diffusion coefficients for NaCl in supercritical water ranging from 703.2K to 803.2K and from 25 MPa to 50MPa show that this equation is applicable for calculation of diffusion coefficients.
The temperature variation of hydrogen diffusion coefficients in metal alloys
Danford, M. D.
1990-01-01
Hydrogen diffusion coefficients were measured as a function of temperature for a few metal alloys using an electrochemical evolution technique. Results from these measurements are compared to those obtained by the time-lag method. In all cases, diffusion coefficients obtained by the electrochemical method are larger than those by the time-lag method by an order of magnitude or more. These differences are attributed mainly to hydrogen trapping.
Diffusion coefficient and radial gradient of galactic cosmic rays
Modzelewska, Renata
2015-01-01
We present the temporal changes of the diffusion coefficient K of galactic cosmic rays (GCRs) at the Earth orbit calculated based on the experimental data using two different methods. The first approach is based on the Parker convection-diffusion approximation of GCR modulation [1]: i.e. K~Vr=dI where dI is the variation of the GCR intensity measured by neutron monitors (NM),V is the solar wind velocity and r is the radial distance. The second approach is based on the interplanetary magnetic field (IMF) data. It was suggested that parallel mean free path can be expressed in terms of B as in [2]-[4]. Using data of the product of the parallel mean free path and radial gradient of GCR calculated based on the GCR anisotropy data (Ahluwalia et al., this conference ICRC 2013, poster ID: 487 [5]), we estimate the temporal changes of the radial gradient of GCR at the Earth orbit. We show that the radial gradient exhibits a strong solar cycle dependence (11-year variation) and a weak solar magnetic cycle dependence (2...
Onsager coefficients for binary mixture diffusion in nanopores
Krishna, R.; van Baten, J.M.
2008-01-01
This paper presents a critical appraisal of current estimation methods for the Onsager coefficients L-11, L-22, and L-12 for binary mixture diffusion inside nanopores using pure component diffusivity data inputs. The appraisal is based on extensive sets of molecular dynamics (MD) simulation data on
Stationary space-periodic structures with equal diffusion coefficients
DEFF Research Database (Denmark)
Andresen, Peter Ragnar; Bache, Morten; Mosekilde, Erik;
1999-01-01
The paper investigates a chemical reaction-diffusion model in an open flow system. It is shown that such a system may, with particular boundary conditions, exhibit stationary space-periodic structures even in the case of equal diffusion coefficients. This is confirmed through numerical simulations....
Methods for measuring diffusion coefficients of radon in building materials
Cozmuta, [No Value; van der Graaf, ER
2001-01-01
Two methods for determining the Rn-222 diffusion coefficient in concrete are presented. Experimentally, the flush and adsorption technique to measure radon release rates underlines both methods. Theoretically, the first method was developed fur samples of cubical geometry. The radon diffusion
Onsager coefficients for binary mixture diffusion in nanopores
Krishna, R.; van Baten, J.M.
2008-01-01
This paper presents a critical appraisal of current estimation methods for the Onsager coefficients L-11, L-22, and L-12 for binary mixture diffusion inside nanopores using pure component diffusivity data inputs. The appraisal is based on extensive sets of molecular dynamics (MD) simulation data on
Exploring non-linear cosmological matter diffusion coefficients
Velten, Hermano
2014-01-01
Since microscopic velocity diffusion can be incorporated into general relativity in a consistent way, we study cosmological background solutions when the diffusion phenomena takes place in an expanding universe. Our focus here relies on the nature of the diffusion coefficient $\\sigma$ which measures the magnitude of such transport phenomena. We test dynamics where $\\sigma$ has a phenomenological dependence on the scale factor, the matter density, the dark energy and the expansion rate.
In vivo lipid diffusion coefficient measurements in rat bone marrow.
Ababneh, Zaid Q; Beloeil, Helene; Berde, Charles B; Ababneh, Anas M; Maier, Stephan E; Mulkern, Robert V
2009-07-01
The diffusion coefficient of lipids, D(l), within bone marrow, fat deposits and metabolically active intracellular lipids in vivo will depend on several factors including the precise chemical composition of the lipid distribution (chain lengths, degree of unsaturation, etc.) as well as the temperature. As such, D(l) may ultimately prove of value in assessing abnormal fatty acid distributions linked to diseases such as cystic fibrosis, diabetes and coronary heart disease. A sensitive temperature dependence of D(l) may also prove of value for MR-guided thermal therapies for bone tumors or disease within other fatty tissues like the breast. Measuring diffusion coefficients of high molecular weight lipids in vivo is, however, technically difficult for a number of reasons. For instance, due to the much lower diffusion coefficients compared to water, much higher b factors than those used for central nervous system applications are needed. In addition, the pulse sequence design must incorporate, as much as possible, immunity to motion, susceptibility and chemical shift effects present whenever body imaging is performed. In this work, high b-factor line scan diffusion imaging sequences were designed, implemented and tested for D(l) measurement using a 4.7-T horizontal bore animal scanner. The gradient set available allowed for b factors as high as 0.03 micros/nm(2) (30,000 s/mm(2)) at echo times as short as 42 ms. The methods were used to measure lipid diffusion coefficients within the marrow of rat paws in vivo, yielding lipid diffusion coefficients approximately two orders of magnitude smaller than typical tissue water diffusion coefficients. Phantom experiments that demonstrate the sensitivity of lipid diffusion coefficients to chain length and temperature were also performed.
Calculation of transport coefficients in an axisymmetric plasma
Energy Technology Data Exchange (ETDEWEB)
Shumaker, D.E.
1977-01-01
A method of calculating the transport coefficient in an axisymmetric toroidal plasma is presented. This method is useful in calculating the transport coefficients in a Tokamak plasma confinement device. The particle density and temperature are shown to be a constant on a magnetic flux surface. Transport equations are given for the total particle flux and total energy flux crossing a closed toroidal surface. Also transport equations are given for the toroidal magnetic flux. A computer code was written to calculate the transport coefficients for a three species plasma, electrons and two species of ions. This is useful for calculating the transport coefficients of a plasma which contains impurities. It was found that the particle and energy transport coefficients are increased by a large amount, and the transport coefficients for the toroidal magnetic field are reduced by a small amount.
Sagis, L.M.C.
2001-01-01
In this paper we developed an expression for the coefficient for plane-parallel diffusion for an arbitrarily curved fluid–fluid interface. The expression is valid for ordinary diffusion in binary mixtures, with isotropic bulk phases and an interfacial region that is isotropic in the plane parallel t
Fokker-Planck Type Equations with Sobolev Diffusion Coefficients and BV Drift Coefficients
Institute of Scientific and Technical Information of China (English)
De Jun LUO
2013-01-01
Combining Le Bris and Lions' arguments with Ambrosio's commutator estimate for BV vector fields,we prove in this paper the existence and uniqueness of solutions to the Fokker-Planck type equations with Sobolev diffusion coefficients and BV drift coefficients.
Energy Technology Data Exchange (ETDEWEB)
Viehweger, Adrian; Sorge, Ina; Hirsch, Wolfgang [University Hospital Leipzig, Department of Pediatric Radiology, Leipzig (Germany); Riffert, Till; Dhital, Bibek; Knoesche, Thomas R.; Anwander, Alfred [Max Planck Institute for Human Cognitive and Brain Sciences, Leipzig (Germany); Stepan, Holger [University Leipzig, Department of Obstetrics, Leipzig (Germany)
2014-10-15
Diffusion-weighted imaging (DWI) is important in the assessment of fetal brain development. However, it is clinically challenging and time-consuming to prepare neuromorphological examinations to assess real brain age and to detect abnormalities. To demonstrate that the Gini coefficient can be a simple, intuitive parameter for modelling fetal brain development. Postmortem fetal specimens(n = 28) were evaluated by diffusion-weighted imaging (DWI) on a 3-T MRI scanner using 60 directions, 0.7-mm isotropic voxels and b-values of 0, 150, 1,600 s/mm{sup 2}. Constrained spherical deconvolution (CSD) was used as the local diffusion model. Fractional anisotropy (FA), apparent diffusion coefficient (ADC) and complexity (CX) maps were generated. CX was defined as a novel diffusion metric. On the basis of those three parameters, the Gini coefficient was calculated. Study of fetal brain development in postmortem specimens was feasible using DWI. The Gini coefficient could be calculated for the combination of the three diffusion parameters. This multidimensional Gini coefficient correlated well with age (Adjusted R{sup 2} = 0.59) between the ages of 17 and 26 gestational weeks. We propose a new method that uses an economics concept, the Gini coefficient, to describe the whole brain with one simple and intuitive measure, which can be used to assess the brain's developmental state. (orig.)
Temperature-Dependent Diffusion Coefficients from ab initio Computations: Hydrogen in Nickel
Energy Technology Data Exchange (ETDEWEB)
E Wimmer; W Wolf; J Sticht; P Saxe; C Geller; R Najafabadi; G Young
2006-03-16
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.
Shetty, Anil N; Chiang, Sharon; Maletic-Savatic, Mirjana; Kasprian, Gregor; Vannucci, Marina; Lee, Wesley
2014-01-01
In this article, we discuss the theoretical background for diffusion weighted imaging and diffusion tensor imaging. Molecular diffusion is a random process involving thermal Brownian motion. In biological tissues, the underlying microstructures restrict the diffusion of water molecules, making diffusion directionally dependent. Water diffusion in tissue is mathematically characterized by the diffusion tensor, the elements of which contain information about the magnitude and direction of diffusion and is a function of the coordinate system. Thus, it is possible to generate contrast in tissue based primarily on diffusion effects. Expressing diffusion in terms of the measured diffusion coefficient (eigenvalue) in any one direction can lead to errors. Nowhere is this more evident than in white matter, due to the preferential orientation of myelin fibers. The directional dependency is removed by diagonalization of the diffusion tensor, which then yields a set of three eigenvalues and eigenvectors, representing the magnitude and direction of the three orthogonal axes of the diffusion ellipsoid, respectively. For example, the eigenvalue corresponding to the eigenvector along the long axis of the fiber corresponds qualitatively to diffusion with least restriction. Determination of the principal values of the diffusion tensor and various anisotropic indices provides structural information. We review the use of diffusion measurements using the modified Stejskal-Tanner diffusion equation. The anisotropy is analyzed by decomposing the diffusion tensor based on symmetrical properties describing the geometry of diffusion tensor. We further describe diffusion tensor properties in visualizing fiber tract organization of the human brain.
SHETTY, ANIL N.; CHIANG, SHARON; MALETIC-SAVATIC, MIRJANA; KASPRIAN, GREGOR; VANNUCCI, MARINA; LEE, WESLEY
2016-01-01
In this article, we discuss the theoretical background for diffusion weighted imaging and diffusion tensor imaging. Molecular diffusion is a random process involving thermal Brownian motion. In biological tissues, the underlying microstructures restrict the diffusion of water molecules, making diffusion directionally dependent. Water diffusion in tissue is mathematically characterized by the diffusion tensor, the elements of which contain information about the magnitude and direction of diffusion and is a function of the coordinate system. Thus, it is possible to generate contrast in tissue based primarily on diffusion effects. Expressing diffusion in terms of the measured diffusion coefficient (eigenvalue) in any one direction can lead to errors. Nowhere is this more evident than in white matter, due to the preferential orientation of myelin fibers. The directional dependency is removed by diagonalization of the diffusion tensor, which then yields a set of three eigenvalues and eigenvectors, representing the magnitude and direction of the three orthogonal axes of the diffusion ellipsoid, respectively. For example, the eigenvalue corresponding to the eigenvector along the long axis of the fiber corresponds qualitatively to diffusion with least restriction. Determination of the principal values of the diffusion tensor and various anisotropic indices provides structural information. We review the use of diffusion measurements using the modified Stejskal–Tanner diffusion equation. The anisotropy is analyzed by decomposing the diffusion tensor based on symmetrical properties describing the geometry of diffusion tensor. We further describe diffusion tensor properties in visualizing fiber tract organization of the human brain. PMID:27441031
Wavelet estimation of the diffusion coefficient in time dependent diffusion models
Institute of Scientific and Technical Information of China (English)
Ping; CHEN; Jin-de; WANG
2007-01-01
The estimation problem for diffusion coefficients in diffusion processes has been studied in many papers,where the diffusion coefficient function is assumed to be a 1-dimensional bounded Lipschitzian function of the state or the time only.There is no previous work for the nonparametric estimation of time-dependent diffusion models where the diffusion coefficient depends on both the state and the time.This paper introduces and studies a wavelet estimation of the time-dependent diffusion coefficient under a more general assumption that the diffusion coefficient is a linear growth Lipschitz function.Using the properties of martingale,we translate the problems in diffusion into the nonparametric regression setting and give the Lr convergence rate.A strong consistency of the estimate is established.With this result one can estimate the time-dependent diffusion coefficient using the same structure of the wavelet estimators under any equivalent probability measure.For example,in finance,the wavelet estimator is strongly consistent under the market probability measure as well as the risk neutral probability measure.
Determining pitch-angle diffusion coefficients from test particle simulations
Ivascenko, A.; S. Lange; Spanier, F.; R. Vainio
2016-01-01
Transport and acceleration of charged particles in turbulent media is a topic of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering with the pitch-angle coefficient $D_{\\mu\\mu}$ playing a major role. Since the diffusion coefficient $D_{\\mu\\mu}$ can be determined analytically only for the approximation of quasi-linear...
Institute of Scientific and Technical Information of China (English)
Xin-yu Lai; Nan-rong Zhao
2013-01-01
Time-dependent diffusion coefficient and conventional diffusion constant are calculated and analyzed to study diffusion of nanoparticles in polymer melts.A generalized Langevin equation is adopted to describe the diffusion dynamics.Mode-coupling theory is employed to calculate the memory kernel of friction.For simplicity,only microscopic terms arising from binary collision and coupling to the solvent density fluctuation are included in the formalism.The equilibrium structural information functions of the polymer nanocomposites required by mode-coupling theory are calculated on the basis of polymer reference interaction site model with Percus-Yevick closure.The effect of nanoparticle size and that of the polymer size are clarified explicitly.The structural functions,the friction kernel,as well as the diffusion coefficient show a rich variety with varying nanoparticle radius and polymer chain length.We find that for small nanoparticles or short chain polymers,the characteristic short time non-Markov diffusion dynamics becomes more prominent,and the diffusion coefficient takes longer time to approach asymptotically the conventional diffusion constant.This constant due to the microscopic contributions will decrease with the increase of nanoparticle size,while increase with polymer size.Furthermore,our result of diffusion constant from modecoupling theory is compared with the value predicted from the Stokes-Einstein relation.It shows that the microscopic contributions to the diffusion constant are dominant for small nanoparticles or long chain polymers.Inversely,when nanonparticle is big,or polymer chain is short,the hydrodynamic contribution might play a significant role.
A first-principles methodology for diffusion coefficients in metals and dilute alloys
Mantina, Manjeera
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
Redox Couples with Unequal Diffusion Coefficients: Effect on Redox Cycling
Mampallil Augustine, Dileep; Mathwig, Klaus; Kang, Shuo; Lemay, Serge G.
2013-01-01
Redox cycling between two electrodes separated by a narrow gap allows dramatic amplification of the faradaic current. Unlike conventional electrochemistry at a single electrode, however, the mass-transport-limited current is controlled by the diffusion coefficient of both the reduced and oxidized fo
Effect of Low Diffusion Coefficient on Eutectic Instability of Al-25 wt%Sm Alloy
Institute of Scientific and Technical Information of China (English)
WANG Nan
2008-01-01
Diffusion coefficient decides the solute diffusion length and is a critical parameter in the selection of microstructure scales and in governing microstructure transitions. Al-25 wt% Sm alloy is selected to reveal the impact of low diffusion coefficient on the eutectic instability, and the results are compared with those of Al-Cu alloys.Laser remelting experiments are performed and the transition growth velocity from eutectic to α-Al dendrite is examined. Compared with Al-Cu alloys, the eutectic instability takes place at a velocity more than one order of magnitude smaller. The theoretical calculation by the Trivedi-Magnin- Kurz (TMK) model also predicts that the eutectic will become instable at smaller growth velocity for Al-Sm alloy than Al-Cu alloy, which is ascribed to the low diffusion coefficient.
Discrimination of paediatric brain tumours using apparent diffusion coefficient histograms
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Bull, Jonathan G.; Clark, Christopher A. [UCL Institute of Child Health, Imaging and Biophysics Unit, London (United Kingdom); Saunders, Dawn E. [Great Ormond Street Hospital for Children NHS Trust, Department of Radiology, London (United Kingdom)
2012-02-15
To determine if histograms of apparent diffusion coefficients (ADC) can be used to differentiate paediatric brain tumours. Imaging of histologically confirmed tumours with pre-operative ADC maps were reviewed (54 cases, 32 male, mean age 6.1 years; range 0.1-15.8 years) comprising 6 groups. Whole tumour ADC histograms were calculated; normalised for volume. Stepwise logistic regression analysis was used to differentiate tumour types using histogram metrics, initially for all groups and then for specific subsets. All 6 groups (5 dysembryoplastic neuroectodermal tumours, 22 primitive neuroectodermal tumours (PNET), 5 ependymomas, 7 choroid plexus papillomas, 4 atypical teratoid rhabdoid tumours (ATRT) and 9 juvenile pilocytic astrocytomas (JPA)) were compared. 74% (40/54) were correctly classified using logistic regression of ADC histogram parameters. In the analysis of posterior fossa tumours, 80% of ependymomas, 100% of astrocytomas and 94% of PNET-medulloblastoma were classified correctly. All PNETs were discriminated from ATRTs (22 PNET and 4 supratentorial ATRTs) (100%). ADC histograms are useful in differentiating paediatric brain tumours, in particular, the common posterior fossa tumours of childhood. PNETs were differentiated from supratentorial ATRTs, in all cases, which has important implications in terms of clinical management. (orig.)
The finite element method solution of variable diffusion coefficient convection-diffusion equations
Aydin, Selçuk Han; ćiftçi, Canan
2012-08-01
Mathematical modeling of many physical and engineering problems is defined with convection-diffusion equation. Therefore, there are many analytic and numeric studies about convection-diffusion equation in literature. The finite element method is the most preferred numerical method in these studies since it can be applied to many problems easily. But, most of the studies in literature are about constant coefficient case of the convection-diffusion equation. In this study, the finite element formulation of the variable coefficient case of the convection-diffusion equation is given in both one and two dimensional cases. Accuracy of the obtained formulations are tested on some problems in one and two dimensions.
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Bretscher, M.M.
1984-01-01
Simple diffusion theory cannot be used to evaluate control rod worths in thermal neutron reactors because of the strongly absorbing character of the control material. However, reliable control rod worths can be obtained within the framework of diffusion theory if the control material is characterized by a set of mesh-dependent effective diffusion parameters. For thin slab absorbers the effective diffusion parameters can be expressed as functions of a suitably-defined pair of blackness coefficients. Methods for calculating these blackness coefficients in the P/sub 1/, P/sub 3/, and P/sub 5/ approximations, with and without scattering, are presented. For control elements whose geometry does not permit a thin slab treatment, other methods are needed for determining the effective diffusion parameters. One such method, based on reaction rate ratios, is discussed.
DETERMINATION OF DIFFUSION COEFFICIENTS OF BINARY LIQUID SYSTEMS
Directory of Open Access Journals (Sweden)
Erol İNCE
2001-03-01
Full Text Available The diaphragm cell method technique was used to determine the diffusion coefficients of selected binary systems (Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol-Acetic acid. The technique was chosen because of simplicity and accuracy. The stirring rate was 60 rpm. The diaphragm cell was calibrated at 298.15 K by diffusing of 0.1 N KCl solution into distilled water. The experimental diaphragm cell constant (ß was found 0.09293 cm -2 . The temperature of water bath was controlled by a contact thermometer with an accuracy of ± 0.1 °C. The obtained experimental diffusion coefficients for Cyclopentanol-Acetic acid, Cyclohexanol-Acetic acid and Methylcyclohexanol - Acetic acid binary systems were 2.40 x 10 -5 cm 2 /s, 1.16 x 10 -5 cm 2 /s, 3.97 x 10 -5 cm 2 /s, respectively. Furthermore, diffusion coefficients have been estimated by the theoretical methods of Wilke - Chang and Scheibel equations and compared with the experimental results.
Coefficient of variation calculated from the range for skewed distributions.
Rhiel, G Steven
2006-02-01
In this research a coefficient of variation (CVS(high.low)) is developed that is calculated from the highest and lowest values in a set of data for samples from skewed distributions. A correction factor is determined such that CVS(high-low) is a dose estimate of the population coefficient of variation when sampling from three skewed chi-squared distributions and three skewed empirical distributions. The empirical distributions are from "real-world" data sets in psychology and education.
Measurement of diffusion coefficients via diffusion in flowing gas II. Results
Zwakhals, C.J.; Reus, K.W.
We have applied the back-diffusion method, described in a previous publication (part I), to several noble-gas mixtures; the results are presented here (part II). In the measurements one of the two gases was present always in a relatively small concentration (1%). The diffusion coefficients D
Iron diffusion from first principles calculations
Wann, E.; Ammann, M. W.; Vocadlo, L.; Wood, I. G.; Lord, O. T.; Brodholt, J. P.; Dobson, D. P.
2013-12-01
The cores of Earth and other terrestrial planets are made up largely of iron1 and it is therefore very important to understand iron's physical properties. Chemical diffusion is one such property and is central to many processes, such as crystal growth, and viscosity. Debate still surrounds the explanation for the seismologically observed anisotropy of the inner core2, and hypotheses include convection3, anisotropic growth4 and dendritic growth5, all of which depend on diffusion. In addition to this, the main deformation mechanism at the inner-outer core boundary is believed to be diffusion creep6. It is clear, therefore, that to gain a comprehensive understanding of the core, a thorough understanding of diffusion is necessary. The extremely high pressures and temperatures of the Earth's core make experiments at these conditions a challenge. Low-temperature and low-pressure experimental data must be extrapolated across a very wide gap to reach the relevant conditions, resulting in very poorly constrained values for diffusivity and viscosity. In addition to these dangers of extrapolation, preliminary results show that magnetisation plays a major role in the activation energies for diffusion at low pressures therefore creating a break down in homologous scaling to high pressures. First principles calculations provide a means of investigating diffusivity at core conditions, have already been shown to be in very good agreement with experiments7, and will certainly provide a better estimate for diffusivity than extrapolation. Here, we present first principles simulations of self-diffusion in solid iron for the FCC, BCC and HCP structures at core conditions in addition to low-temperature and low-pressure calculations relevant to experimental data. 1. Birch, F. Density and composition of mantle and core. Journal of Geophysical Research 69, 4377-4388 (1964). 2. Irving, J. C. E. & Deuss, A. Hemispherical structure in inner core velocity anisotropy. Journal of Geophysical
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Tripathi, A. K., E-mail: aktrip2001@yahoo.co.in; Singhal, R. P., E-mail: rpsiitbhu@yahoo.com [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi, Uttar Pradesh (India); Khazanov, G. V., E-mail: George.V.Khazanov@nasa.gov [NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Avanov, L. A., E-mail: levon.a.avanov@nasa.gov [NASA Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States); Department of Astronomy, University of Maryland, College Park, Maryland 20742 (United States)
2016-04-15
Electron pitch angle (D{sub αα}) and momentum (D{sub pp}) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in D{sub αα} and D{sub pp} coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The D{sub pp} diffusion coefficient for ECH waves is one to two orders smaller than D{sub αα} coefficients. For chorus waves, D{sub pp} coefficients are about an order of magnitude smaller than D{sub αα} coefficients for the case n ≠ 0. In case of Landau resonance, the values of D{sub pp} coefficient are generally larger than the values of D{sub αα} coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3
Anticipative Stochastic Differential Equations with Non-smooth Diffusion Coefficient
Institute of Scientific and Technical Information of China (English)
Zong Xia LIANG
2006-01-01
In this paper we prove the existence and uniqueness of the solutions to the one-dimensional linear stochastic differential equation with Skorohod integralXt(ω) = η(ω) + ∫t0 asXs(ω)dWs + bsXs(ω)ds, t ∈ [0, 1],where (Ws) is the canonical Wiener process defined on the standard Wiener space ((W), (H),μ), a is non-smooth and adapted, but η and b may be anticipating to the filtration generated by (Ws). The intention of the paper is to eliminate the regularity of the diffusion coefficient a in the Malliavin sense, in the existing literature. The idea is to approach the non-smooth diffusion coefficient a by smooth ones.
Water sorption and diffusion coefficient through an experimental dental resin.
Costella, A M; Trochmann, J L; Oliveira, W S
2010-01-01
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.
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Takeda, M.; Hiratsuka, T.; Ito, K.; Finsterle, S.
2011-02-01
Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an
Tripathi, A. K.; Singhal, R. P.
2009-11-01
Pitch-angle diffusion coefficients have been calculated for resonant interaction with electrostatic electron cyclotron harmonic (ECH) waves using quasilinear diffusion theory. Unlike previous calculations, the parallel group velocity has been included in this study. Further, ECH wave intensity is expressed as a function of wave frequency and wave normal angle with respect to ambient magnetic field. It is found that observed wave electric field amplitudes in Earth's magnetosphere are sufficient to set electrons on strong diffusion in the energy ranges of a few hundred eV. However, the required amplitudes are larger than the observed values for keV electrons and higher by about a factor of 3 compared to past calculations. Required electric field amplitudes are smaller at larger radial distances. It is concluded that ECH waves are responsible for diffuse auroral precipitation of electrons with energies less than about 500 eV.
Diffusion coefficients of molecular iodine in aqueous solutions
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Cantrel, L. [CEA Cadarache, Saint Paul lez Durance (France). Inst. de Protection et de Surete Nucleaire; Chaouche, R.; Chopin-Dumas, J. [Ecole Nationale Superieure de Syntheses, Marseille (France)
1997-01-01
In the event of a severe accident on a light water nuclear reactor (LWR), resulting in overheating of the core, the fission products would be released into the containment building. Among the fission products, iodine represents a biological hazard for the environment by reason of the {sup 131}I radioactive isotope. As iodine is a highly reactive and volatile compound, it is involved in mass transfer from the liquid phase to the gas phase of the containment vessel. In order to determine the quantity of iodine present in the gas phase, it is necessary to know the diffusion coefficient of iodine in water at several temperatures. The diffusion coefficients of iodine in 0.075 mol/dm{sup 3} sulfuric acid have been determined between 298 K and 358 K, by measuring the limiting reduction currents at a platinum rotating disk electrode. A Stokes-Einstein relation is verified over the range of temperature studied. The experimental value obtained at 298 K is compared with some available relations for the estimation of diffusion coefficients at infinite dilution. The agreement is good.
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Khayrullin, M.K.
1981-01-01
Formulas for calculating the influential coefficients according to pressure based on finite differences. Based on these formulas, it is shown that if the finite-difference approcimation coefficient of hydrodynamic conductibility sigmaeta satisfies the condition ..lambda..omicron..sqrt..sigmaeta-omicron..sqrt..sigmaeta= O, where ..lambda..omicron is the differential analog of the operato Laplas, then the influential coefficient is alpha st=lambdast..mu..st, where lambdast depends on the physical parameters of the layer and the liquid, and ..mu..st defines the geometry of the field and distribution of the wells. This hypothesis is also used as a method of finding a partial solution for calculating the hydrodynamic conductibility coefficient for area wells regarding finite-difference functions satisfying the condition..lambda..omicron..sqrt..sigmaeta = O.
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Liu, Fei; Kolesov, Grigory; Parkinson, Bruce A.
2014-09-26
A simple and straightforward method for measuring diffusion coefficients using interdigitated array (IDA) electrodes is reported. The method does not require that the exact electrode area be known but depends only the size of the gap between the IDA electrode pairs. Electroactive molecules produced at the generator electrode of the IDA by a voltage step or scan can diffuse to the collector electrode and the time delay before the current for the reverse electrochemical reaction is detected at the collector is used to calculate the diffusion coefficient. The measurement of the diffusion rate of Ru(NH3)6+2 in aqueous solution has been used as an example measuring diffusion coefficients using this method. Additionally, a digital simulation of the electrochemical response of the IDA electrodes was used to simulate the entire current/voltage/time behavior of the system and verify the experimentally measured diffusion coefficients. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the Department of Energy, Office of Science, Office of Basic Energy Sciences.
Idiyatullin, Z. Sh.; Solonina, I. A.; Rodnikova, M. N.; Sirotkin, D. A.
2017-08-01
The self-diffusion coefficients of the molecules of hexamethylphosphoric triamide (HMPT) and ethylene glycol (EG) in ethylene glycol solutions in the concentration range 0-16 mol % HMPT and molecules of pure HMPT in the temperature range 30-60°C are measured by the spin-echo method on protons. Activation energies for the corresponding processes of self-diffusion were calculated. The obtained data are discussed in terms of solvophobic effects in the EG-HMPT system. The self-diffusion coefficient of pure HMPT was 0.344 × 10-5 cm2/s at 33.2°C, and the self-diffusion activation energy was 3.86 kcal/mol.
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Bradbury, M.; Baeyens, B
2003-02-01
Recently, a bentonite sorption data base, comprising values taken from batch sorption data, was developed for a performance assessment study for high-level waste and spent fuel (Entsorgungsnachweis). Thus distribution coefficients (K{sub d}) determined on dispersed systems were used to calculate apparent diffusion coefficients (D{sub a}) subsequently applied in diffusive transport calculations for the highly compacted system. Whenever such a procedure is adopted, questions invariably arise as to whether this is conservative or not. On the occasions when K{sub d} values have been extracted from (mainly) indiffusion experiments and compared with those obtained from batch tests, apparent discrepancies have been found. In the majority of cases the batch values are larger, sometimes significantly. Hypotheses from 'surface diffusion' to 'double layer pore constrictivity effects' have been proposed to explain the inconsistencies. However, although such discrepancies have been reported periodically over the past twenty years or so, and have become generally accepted facts of life, there are surprisingly few quantitative studies directly dealing with this issue. Further, two other points are worthy of mention. The first is that a diffusion model (including the associated assumptions) is needed in order to deduce K{sub d} values from diffusion measurements. Thus the sorption values calculated are model dependent. The second is that too little attention has been paid to the potential effects of water chemistry, i.e. a comparison between sorption values is only valid when the water chemistry in the batch tests is the same as, or very close to, the porewater chemistry in the intact material. In practice, this condition is difficult to achieve because of the uncertainties concerning the latter. This report describes a study in which K{sub d} values for Cs(I), Ni(II), Sm(III), Am(III), Zr(IV) and Np(V) were calculated from in-diffusion data published in the
Driessen, Juliette P; van Bemmel, Alexander J M; van Kempen, Pauline M W; Janssen, Luuk M; Terhaard, Chris H J; Pameijer, Frank A; Willems, Stefan M; Stegeman, Inge; Grolman, Wilko; Philippens, Marielle E P
2016-04-01
Identification of prognostic patient characteristics in head and neck squamous cell carcinoma (HNSCC) is of great importance. Human papillomavirus (HPV)-positive HNSCCs have favorable response to (chemo)radiotherapy. Apparent diffusion coefficient, derived from diffusion-weighted MRI, has also shown to predict treatment response. The purpose of this study was to evaluate the correlation between HPV status and apparent diffusion coefficient. Seventy-three patients with histologically proven HNSCC were retrospectively analyzed. Mean pretreatment apparent diffusion coefficient was calculated by delineation of total tumor volume on diffusion-weighted MRI. HPV status was analyzed and correlated to apparent diffusion coefficient. Six HNSCCs were HPV-positive. HPV-positive HNSCC showed significantly lower apparent diffusion coefficient compared to HPV-negative. This correlation was independent of other patient characteristics. In HNSCC, positive HPV status correlates with low mean apparent diffusion coefficient. The favorable prognostic value of low pretreatment apparent diffusion coefficient might be partially attributed to patients with a positive HPV status. © 2015 Wiley Periodicals, Inc. Head Neck 38: E613-E618, 2016. © 2015 Wiley Periodicals, Inc.
Compilation report of VHTRC temperature coefficient benchmark calculations
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Yasuda, Hideshi; Yamane, Tsuyoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
1995-11-01
A calculational benchmark problem has been proposed by JAERI to an IAEA Coordinated Research Program, `Verification of Safety Related Neutronic Calculation for Low-enriched Gas-cooled Reactors` to investigate the accuracy of calculation results obtained by using codes of the participating countries. This benchmark is made on the basis of assembly heating experiments at a pin-in block type critical assembly, VHTRC. Requested calculation items are the cell parameters, effective multiplication factor, temperature coefficient of reactivity, reaction rates, fission rate distribution, etc. Seven institutions from five countries have joined the benchmark works. Calculation results are summarized in this report with some remarks by the authors. Each institute analyzed the problem by applying the calculation code system which was prepared for the HTGR development of individual country. The values of the most important parameter, k{sub eff}, by all institutes showed good agreement with each other and with the experimental ones within 1%. The temperature coefficient agreed within 13%. The values of several cell parameters calculated by several institutes did not agree with the other`s ones. It will be necessary to check the calculation conditions again for getting better agreement. (J.P.N.).
An indirect approach to the extensive calculation of relationship coefficients
Directory of Open Access Journals (Sweden)
Colleau Jean-Jacques
2002-07-01
Full Text Available Abstract A method was described for calculating population statistics on relationship coefficients without using corresponding individual data. It relied on the structure of the inverse of the numerator relationship matrix between individuals under investigation and ancestors. Computation times were observed on simulated populations and were compared to those incurred with a conventional direct approach. The indirect approach turned out to be very efficient for multiplying the relationship matrix corresponding to planned matings (full design by any vector. Efficiency was generally still good or very good for calculating statistics on these simulated populations. An extreme implementation of the method is the calculation of inbreeding coefficients themselves. Relative performances of the indirect method were good except when many full-sibs during many generations existed in the population.
Measurement and calculation of PZT thin film longitudinal piezoelectric coefficients.
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Christman, J. A.; Kim, S.-H.; Kingon, A. I.; Maiwa, H.; Maria, J.-P.; Streiffer, S. K.
1999-04-26
The ferroelectric and piezoelectric properties of 2000 {angstrom} thick chemical solution deposited Pb(Zr{sub x}Ti{sub 1{minus}x})O{sub 3} (PZT) thin films were investigated. Several Zr/Ti ratios were studied: 30/70, 50/50 and 65/35, which correspond to tetragonal, near-morphotropic, and rhombohedral symmetries. In all samples, a {l_brace}111{r_brace}-texture is predominant. Longitudinal piezoelectric coefficients and their dc field dependence were measured using the contact AFM method. The expected trend of a maximum piezoelectric coefficient at or near to the MPB was not observed. The composition dependence was small, with the maximum d{sub 33} occurring in the tetragonal material. To explain the results, crystallographic texture and film thickness effects are suggested. Using a modified phenomenological approach, derived electrostrictive coefficients, and experimental data, d{sub 33} values were calculated. Qualitative agreement was observed between the measured and calculated coefficients. Justifications of modifications to the calculations are discussed.
Chemical diffusion coefficient of oxygen in thoria-urania mixed oxide
Matsui, Tsuneo; Naito, Keiji
1985-10-01
The chemical diffusion coefficients of oxygen ( D˜) in sintered samples of ( Th1- yUy) O2+ x ( y = 0.2 and 0.4) were measured by means of thermogravimetry in the temperature range 1282 ⩽ T ⩽ 1373 K. The defect diffusion coefficients ( Dd) were also calculated from the chemical diffusion coefficients obtained in this study. The activation energies of D˜ or Dd for the two samples ( Th1- yUy) O2+ xwithy = 0.2 and 0.4 were observed to be nearly the same, irrespective of the y value. These activation energies also nearly coincided with those of UO 2+x reported previously, suggesting the presence of a similar diffusion mechanism to that found in UO 2+x. The magnitude of both diffusion coefficients D˜ and Dd of ( Th1- yUy) O2+ x increased with increasing uranium content and approached that of UO 2+x. The increase of Dd of ( Th1- yUy) O2+ x with y value was considered to be due to the increase of both the vibrational frequency of lattice and the entropy change of migration produced by the substitution of a U ion for a Th ion.
Radon diffusion coefficients in soils of varying moisture content
Papachristodoulou, C.; Ioannides, K.; Pavlides, S.
2009-04-01
Radon is a naturally occurring radioactive gas that is generated in the Earth's crust and is free to migrate through soil and be released to the atmosphere. Due to its unique properties, soil gas radon has been established as a powerful tracer used for a variety of purposes, such as exploring uranium ores, locating geothermal resources and hydrocarbon deposits, mapping geological faults, predicting seismic activity or volcanic eruptions and testing atmospheric transport models. Much attention has also been given to the radiological health hazard posed by increased radon concentrations in the living and working environment. In order to exploit radon profiles for geophysical purposes and also to predict its entry indoors, it is necessary to study its transport through soils. Among other factors, the importance of soil moisture in such studies has been largely highlighted and it is widely accepted that any measurement of radon transport parameters should be accompanied by a measurement of the soil moisture content. In principle, validation of transport models in the field is encountered by a large number of uncontrollable and varying parameters; laboratory methods are therefore preferred, allowing for experiments to be conducted under well-specified and uniform conditions. In this work, a laboratory technique has been applied for studying the effect of soil moisture content on radon diffusion. A vertical diffusion chamber was employed, in which radon was produced from a 226Ra source, was allowed to diffuse through a soil column and was finally monitored using a silicon surface barrier detector. By solving the steady-state radon diffusion equation, diffusion coefficients (D) were determined for soil samples of varying moisture content (m), from null (m=0) to saturation (m=1). For dry soil, a D value of 4.1×10-7 m2s-1 was determined, which increased moderately by a factor of ~3 for soil with low moisture content, i.e. up to m ~0.2. At higher water fractions, a decrease
Field-Scale Effective Matrix Diffusion Coefficient for FracturedRock: Results From Literature Survey
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Zhou, Quanlin; Liu, Hui Hai; Molz, Fred J.; Zhang, Yingqi; Bodvarsson, Gudmundur S.
2005-03-28
Matrix diffusion is an important mechanism for solutetransport in fractured rock. We recently conducted a literature survey onthe effective matrix diffusion coefficient, Dem, a key parameter fordescribing matrix diffusion processes at the field scale. Forty fieldtracer tests at 15 fractured geologic sites were surveyed and selectedfor study, based on data availability and quality. Field-scale Dem valueswere calculated, either directly using data reported in the literature orby reanalyzing the corresponding field tracer tests. Surveyed dataindicate that the effective-matrix-diffusion-coefficient factor FD(defined as the ratio of Dem to the lab-scale matrix diffusioncoefficient [Dem]of the same tracer) is generally larger than one,indicating that the effective matrix diffusion coefficient in the fieldis comparatively larger than the matrix diffusion coefficient at therock-core scale. This larger value could be attributed to the manymass-transfer processes at different scales in naturally heterogeneous,fractured rock systems. Furthermore, we observed a moderate trend towardsystematic increase in the emDFmDDF value with observation scale,indicating that the effective matrix diffusion coefficient is likely tobe statistically scale dependent. The FD value ranges from 1 to 10,000for observation scales from 5 to 2,000 m. At a given scale, the FD valuevaries by two orders of magnitude, reflecting the influence of differingdegrees of fractured rock heterogeneity at different sites. In addition,the surveyed data indicate that field-scale longitudinal dispersivitygenerally increases with observation scale, which is consistent withprevious studies. The scale-dependent field-scale matrix diffusioncoefficient (and dispersivity) may have significant implications forassessing long-term, large-scale radionuclide and contaminant transportevents in fractured rock, both for nuclear waste disposal and contaminantremediation.
Apparent diffusion coefficient measurements in progressive supranuclear palsy
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Ohshita, T.; Oka, M.; Imon, Y.; Yamaguchi, S.; Mimori, Y.; Nakamura, S. [Hiroshima Univ. (Japan). School of Medicine
2000-09-01
We measured the apparent diffusion coefficient (ADC), using diffusion-weighted imaging (DWI) and signal intensity on T2-weighted MRI in the cerebral white matter of patients with progressive supranuclear palsy (PSP) and age-matched normal subjects. In PSP, ADC in the prefrontal and precentral white matter was significantly higher than in controls. There was no significant difference in signal intensity on T2-weighted images. The ADC did correlate with signal intensity. The distribution of the elevation of ADC may be the consequence of underlying pathological changes, such as neurofibrillary tangles or glial fibrillary tangles in the cortex. Our findings suggest that ADC measurement might be useful for demonstrating subtle neuropathological changes. (orig.)
Araruna, F. D.; Braz e Silva, P.; Carvalho, R. R.; Rojas-Medar, M. A.
2015-06-01
We consider the motion of a viscous incompressible fluid consisting of two components with a diffusion effect obeying Fick's law in ℝ3. We prove that there exists a small time interval where the fluid variables converge uniformly as the viscosity and the diffusion coefficient tend to zero. In the limit, we find a non-homogeneous, non-viscous, incompressible fluid governed by an Euler-like system.
Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes
2014-05-01
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.
Tracer diffusion coefficients in a sheared inelastic Maxwell gas
Garzó, Vicente; Trizac, Emmanuel
2016-07-01
We study the transport properties of an impurity in a sheared granular gas, in the framework of the Boltzmann equation for inelastic Maxwell models. We investigate here the impact of a nonequilibrium phase transition found in such systems, where the tracer species carries a finite fraction of the total kinetic energy (ordered phase). To this end, the diffusion coefficients are first obtained for a granular binary mixture in spatially inhomogeneous states close to the simple shear flow. In this situation, the set of coupled Boltzmann equations are solved by means of a Chapman-Enskog-like expansion around the (local) shear flow distributions for each species, thereby retaining all the hydrodynamic orders in the shear rate a. Due to the anisotropy induced by the shear flow, three tensorial quantities D ij , D p,ij , and D T,ij are required to describe the mass transport process instead of the conventional scalar coefficients. These tensors are given in terms of the solutions of a set of coupled algebraic equations, which can be exactly solved as functions of the shear rate a, the coefficients of restitution {αsr} and the parameters of the mixture (masses and composition). Once the forms of D ij , D p,ij , and D T,ij are obtained for arbitrary mole fraction {{x}1}={{n}1}/≤ft({{n}1}+{{n}2}\\right) (where n r is the number density of species r), the tracer limit ({{x}1}\\to 0 ) is carefully considered for the above three diffusion tensors. Explicit forms for these coefficients are derived showing that their shear rate dependence is significantly affected by the order-disorder transition.
DEFF Research Database (Denmark)
Kallehauge, Jesper Folsted; Tanderup, Kari; Haack, Søren
2010-01-01
Diffusion weighted imaging (DWI) has gained interest as an imaging modality for assessment of tumor extension and response to cancer treatment. The purpose of this study is to assess the impact of the choice of b-values on the calculation of the Apparent Diffusion Coefficient (ADC) for locally ad...
Surov, Alexey; Meyer, Hans Jonas; Wienke, Andreas
2017-07-01
Diffusion-weighted imaging (DWI) is a magnetic resonance imaging (MRI) technique based on measure of water diffusion that can provide information about tissue microstructure, especially about cell count. Increase of cell density induces restriction of water diffusion and decreases apparent diffusion coefficient (ADC). ADC can be divided into three sub-parameters: ADC minimum or ADCmin, mean ADC or ADCmean and ADC maximum or ADCmax Some studies have suggested that ADCmin shows stronger correlations with cell count in comparison to other ADC fractions and may be used as a parameter for estimation of tumor cellularity. The aim of the present meta-analysis was to summarize correlation coefficients between ADCmin and cellularity in different tumors based on large patient data. For this analysis, MEDLINE database was screened for associations between ADC and cell count in different tumors up to September 2016. For this work, only data regarding ADCmin were included. Overall, 12 publications with 317 patients were identified. Spearman's correlation coefficient was used to analyze associations between ADCmin and cellularity. The reported Pearson correlation coefficients in some publications were converted into Spearman correlation coefficients. The pooled correlation coefficient for all included studies was ρ=-0.59 (95% confidence interval (CI)=-0.72 to -0.45), heterogeneity Tau(2)=0.04 (pcorrelated moderately with tumor cellularity. The calculated correlation coefficient is not stronger in comparison to the reported coefficient for ADCmean and, therefore, ADCmin does not represent a better means to reflect cellularity. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.
FIELD-SCALE EFFECTIVE MATRIX DIFFUSION COEFFICIENT FOR FRACTURED ROCK:RESULTS FROM LITERATURE SURVEY
Energy Technology Data Exchange (ETDEWEB)
Q. Zhou; Hui-Hai Liu; F.J. Molz; Y. Zhang; G.S. Bodvarsson
2005-04-08
Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, D{sub m}{sup e}, a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale D{sub m}{sup e} values were calculated, either directly using data reported in the literature or by reanalyzing the corresponding field tracer tests. Surveyed data indicate that the effective-matrix-diffusion-coefficient factor F{sub D} (defined as the ratio of D{sub m}{sup e} to the lab-scale matrix diffusion coefficient [D{sub m}] of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate trend toward systematic increase in the F{sub D} value with observation scale, indicating that the effective matrix diffusion coefficient is likely to be statistically scale dependent. The F{sub D} value ranges from 1 to 10,000 for observation scales from 5 to 2,000 m. At a given scale, the F{sub D} value varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity) may have significant implications for assessing long-term, large-scale radionuclide and contaminant transport events in fractured rock, both for nuclear waste disposal
Szyszkiewicz-Warzecha, Krzysztof; Jasielec, Jerzy J.; Fausek, Janusz; Filipek, Robert
2016-08-01
Transport properties of ions have significant impact on the possibility of rebars corrosion thus the knowledge of a diffusion coefficient is important for reinforced concrete durability. Numerous tests for the determination of diffusion coefficients have been proposed but analysis of some of these tests show that they are too simplistic or even not valid. Hence, more rigorous models to calculate the coefficients should be employed. Here we propose the Nernst-Planck and Poisson equations, which take into account the concentration and electric potential field. Based on this model a special inverse method is presented for determination of a chloride diffusion coefficient. It requires the measurement of concentration profiles or flux on the boundary and solution of the NPP model to define the goal function. Finding the global minimum is equivalent to the determination of diffusion coefficients. Typical examples of the application of the presented method are given.
Energy Technology Data Exchange (ETDEWEB)
Shembel, E.M.; Ksenzhek, O.S.; Lituinova, V.I.; Lobach, G.A.
1986-09-01
The authors measured the diffusion coefficients of SO/sub 2/ in electrolytes based on propylene carbonate, acetonitrile, dimethylformamide and dimethylsulfoxide in order to estimate possible diffusion limitations with respect to SO/sub 2/ and to establish the influence exerted by the solvent type on the process. The diffusion coefficients were calculated from the limiting diffusion currents of steady-state polarization curves for sulfur dioxide reduction recorded at a gold microdisk electrode which had a diameter of 2 x 10/sup -3/ cm. In lithium salt solutions the potentiodynamic curves recorded at the microelectrode do not exhibit a limiting current but are characterized by a current maximum.
Institute of Scientific and Technical Information of China (English)
肖吉; 陆九芳; 陈健; 李以圭
2001-01-01
Molecular dynamics simulation has been performed to determine the infinite-dilution diffusion coefficients of oxygen and nitrogen, and the diffusion coefficients of NaCl in supercritical water from 703.2- 763.2 K and 30-45 MPa.The results obtained show that the diffusion coefficients in supercritical water increase with temperature, while decreasing with pressure. Nevertheless, the diffusion coefficients in supercritical water are much larger than those in normal water.
Shear viscosity and spin-diffusion coefficient of a two-dimensional Fermi gas
DEFF Research Database (Denmark)
Bruun, Georg
2012-01-01
Using kinetic theory, we calculate the shear viscosity and the spin-diffusion coefficient as well as the associated relaxation times for a two-component Fermi gas in two dimensions, as a function of temperature, coupling strength, polarization, and mass ratio of the two components. It is demonstr......Using kinetic theory, we calculate the shear viscosity and the spin-diffusion coefficient as well as the associated relaxation times for a two-component Fermi gas in two dimensions, as a function of temperature, coupling strength, polarization, and mass ratio of the two components....... It is demonstrated that the minimum value of the viscosity decreases with the mass ratio, since Fermi blocking becomes less efficient. We furthermore analyze recent experimental results for the quadrupole mode of a two-dimensional gas in terms of viscous damping, obtaining a qualitative agreement using no fitting...
Energy Technology Data Exchange (ETDEWEB)
Wu, Tzi-Yi [Department of Chemistry, National Cheng Kung University, Tainan 701, Taiwan (China); Department of Polymer Materials, Kun Shan University, Tainan 71003, Taiwan (China); Su, Shyh-Gang [Department of Chemistry, National Cheng Kung University, Tainan 701, Taiwan (China); Wang, H. Paul [Department of Environmental Engineering, National Cheng Kung University, Tainan, Taiwan (China); Lin, Yuan-Chung [Institute of Environmental Engineering, National Sun Yat-Sen University, Kaohsiung 804, Taiwan (China); Gung, Shr-Tusen; Lin, Ming-Wei [Department of Chemistry, National Cheng Kung University, Tainan 701, Taiwan (China); Sun, I.-Wen, E-mail: iwsun@mail.ncku.edu.t [Department of Chemistry, National Cheng Kung University, Tainan 701, Taiwan (China)
2011-03-30
Research highlights: Cyclic ammonium-based ionic liquids with allyl substituent have high conductivity. Ionic liquids with allyl substituent have wide electrochemical window. Electrochemical and self diffusion coefficients are available for comparison. The Stokes-Einstein plots of DT{sup -1} vs. {eta}{sup -1} for redox couples in ILs are evaluated. Stokes-Einstein product of ferrocene is larger than that of cobaltocenium in ILs. - Abstract: Several cyclic ammonium-based ionic liquids (ILs) with allyl substituent are synthesized, these allyl substituent ILs have high ionic conductivity (up to 4.72 mS cm{sup -1} at 30 {sup o}C) and wide electrochemical window of 5 V. The electrochemical behaviors of two organometallic redox couples Fc/Fc{sup +} (ferrocene/ferrocenium) and Cc/Cc{sup +} (cobaltocene/cobaltocenium) have been studied in these ILs, the calculated Stokes-Einstein product (D{eta} T{sup -1}) of ferrocene in ILs is larger than that of cobaltocenium in ILs. The self-diffusion coefficients of cation and anion in these ILs are studied using pulsed gradient spin-echo NMR technique. There are very few reports where electrochemically derived diffusion coefficients and self diffusion coefficients are available for comparison, so a new key concept in electrochemistry could be developed in this paper.
Fast and accurate measurement of diffusion coefficient by Taylor's dispersion analysis
Institute of Scientific and Technical Information of China (English)
无
2007-01-01
This investigation aimed at improving the performance of Taylor's dispersion analysis for the fast and accurate measurement of diffusion coefficient of a minute solute in various solvents. The investigation was carried out on a capillary electrophoresis instrument by monitoring the UV absorption peak of a solute pulse and calculating the diffusion coefficient by peak efficiency. With L-phenylalanine as a main testing solute, some key factors were afterward disclosed including especially the capillary size, carrier flow velocity, injection volume and capillary conditioning. Peak tailing, large volume of sample injection and slow migration were found to underestimate the diffusion coefficient while very fast migration and high sample concentration caused overestimation. At a moderate flow velocity of 0.1―1 cm/s with a capillary of 72.44 μm I.D.×60 cm (50 cm effective) maintained at 25℃, the diffusion coefficient of aqueous L-phenylalanine was determined, giving a value of 7.02×10-6 cm2/s with error＜2% and relative standard deviation＜0.2% (n=3). The method was shown to be applicable to the measurement of various samples such as aqueous phenylalanine, acetone, phenol, toluene and benzene, and nonaqueous benzene (in ethanol or 1-butanol).
Zarabadi, Atefeh S; Pawliszyn, Janusz
2015-02-17
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.
DEFF Research Database (Denmark)
Jeong, Cheol-Ho; Ih, Jeong-Guon; Rindel, Jens Holger
2005-01-01
the measured surface impedance. However, it is not always possible to get the measured impedance data of the surface, so that a practical way of getting reflection characteristics is needed. Generally, in the architectural acoustics field, the absorption coefficients have been employed in the calculations......The phased beam tracing method (PBTM) is a technique which can calculate the pressure impulse response instead of energy impulse response, by taking the phase information into account. Inclusion of the phase information can extend the application of beam tracing technique to the mid frequency range...
Thermodynamic calculations of self- and hetero-diffusion parameters in germanium
Energy Technology Data Exchange (ETDEWEB)
Saltas, V., E-mail: vsaltas@chania.teicrete.gr; Vallianatos, F.
2015-08-01
In the present work, the diffusion coefficients of n- and p-type dopants (P, As, Sb, Al) and self-diffusion in crystalline germanium are calculated from the bulk elastic properties of the host material based on the cBΩ thermodynamic model. The calculated diffusion coefficients as a function of temperature and the activation enthalpies prove to be in full agreement with the reported experimental results. Additional point defect parameters such as activation entropy, activation volume and activation Gibbs free energy are also calculated for each diffusing element. The pressure dependence of self-diffusion coefficients in germanium is also verified at high temperatures (876 K–1086 K), in agreement with reported results ranging from ambient pressure up to 600 MPa and is further calculated at pressures up to 3 GPa, where the phase transition to Ge II occurs. - Highlights: • Calculation of diffusivities of n- and p-type dopants in Ge from elastic properties. • Calculation of point defect parameters according to the cBΩ thermodynamic model. • Prediction of the pressure dependence of self-diffusion coefficients in Ge.
Variation of diffuse attenuation coefficient of downwelling irradiance in the Arctic Ocean
Institute of Scientific and Technical Information of China (English)
WANG Weibo; ZHAO Jinping
2014-01-01
The diffuse attenuation coefficient (Kd) for downwelling irradiance is calculated from solar irradiance data measured in the Arctic Ocean during 3rd and 4th Chinese National Arctic Research Expedition (CHINARE), including 18 stations and nine stations selected for irradiance profiles in sea water respectively. In this study, the variation of attenuation coefficient in the Arctic Ocean was studied, and the following results were ob-tained. First, the relationship between attenuation coefficient and chlorophyll concentration in the Arctic Ocean has the form of a power function. The best fit is at 443 nm, and its determination coefficient is more than 0.7. With increasing wavelength, the determination coefficient decreases abruptly. At 550 nm, it even reaches a value lower than 0.2. However, the exponent fitted is only half of that adapted in low-latitude ocean because of the lower chlorophyll-specific absorption in the Arctic Ocean. The upshot was that, in the case of the same chlorophyll concentration, the attenuation caused by phytoplankton chlorophyll in the Arctic Ocean is lower than in low-latitude ocean. Second, the spectral model, which exhibits the relationship of attenuation coefficients between 490 nm and other wavelength, was built and provided a new method to estimate the attenuation coefficient at other wavelength, if the attenuation coefficient at 490 nm was known. Third, the impact factors on attenuation coefficient, including sea ice and sea water mass, were discussed. The influence of sea ice on attenuation coefficient is indirect and is determined through the control of enter-ing solar radiation. The linear relationship between averaging sea ice concentration (ASIC, from 158 Julian day to observation day) and the depth of maximum chlorophyll is fitted by a simple linear equation. In addition, the sea water mass, such as the ACW (Alaskan Coastal Water), directly affects the amount of chlo-rophyll through taking more nutrient, and results in the
Effective diffusion coefficients of gas mixture in heavy oil under constant-pressure conditions
Li, Huazhou Andy; Sun, Huijuan; Yang, Daoyong
2016-09-01
We develop a method to determine the effective diffusion coefficient for each individual component of a gas mixture in a non-volatile liquid (e.g., heavy oil) at high pressures with compositional analysis. Theoretically, a multi-component one-way diffusion model is coupled with the volume-translated Peng-Robinson equation of state to quantify the mass transfer between gas and liquid (e.g., heavy oil). Experimentally, the diffusion tests have been conducted with a PVT setup for one pure CO2-heavy oil system and one C3H8-CO2-heavy oil system under constant temperature and pressure, respectively. Both the gas-phase volume and liquid-phase swelling effect are simultaneously recorded during the measurement. As for the C3H8-CO2-heavy oil system, the gas chromatography method is employed to measure compositions of the gas phase at the beginning and end of the diffusion measurement, respectively. The effective diffusion coefficients are then determined by minimizing the discrepancy between the measured and calculated gas-phase composition at the end of diffusion measurement. The newly developed technique can quantify the contributions of each component of mixture to the bulk mass transfer from gas into liquid. The effective diffusion coefficient of C3H8 in the C3H8-CO2 mixture at 3945 ± 20 kPa and 293.85 K, i.e., 18.19 × 10^{ - 10} m^{ 2} / s, is found to be much higher than CO2 at 3950 ± 18 kPa and 293.85 K, i.e., 8.68 × 10^{ - 10} m^{ 2} / s. In comparison with pure CO2, the presence of C3H8 in the C3H8-CO2 mixture contributes to a faster diffusion of CO2 from the gas phase into heavy oil and consequently a larger swelling factor of heavy oil.
Liu, Cong; Kolarik, Barbara; Gunnarsen, Lars; Zhang, Yinping
2015-10-20
Polychlorinated biphenyls (PCBs) have been found to be persistent in the environment and possibly harmful. Many buildings are characterized with high PCB concentrations. Knowledge about partitioning between primary sources and building materials is critical for exposure assessment and practical remediation of PCB contamination. This study develops a C-depth method to determine diffusion coefficient (D) and partition coefficient (K), two key parameters governing the partitioning process. For concrete, a primary material studied here, relative standard deviations of results among five data sets are 5%-22% for K and 42-66% for D. Compared with existing methods, C-depth method overcomes the inability to obtain unique estimation for nonlinear regression and does not require assumed correlations for D and K among congeners. Comparison with a more sophisticated two-term approach implies significant uncertainty for D, and smaller uncertainty for K. However, considering uncertainties associated with sampling and chemical analysis, and impact of environmental factors, the results are acceptable for engineering applications. This was supported by good agreement between model prediction and measurement. Sensitivity analysis indicated that effective diffusion distance, contacting time of materials with primary sources, and depth of measured concentrations are critical for determining D, and PCB concentration in primary sources is critical for K.
Directory of Open Access Journals (Sweden)
Palle Lalitha
2010-01-01
Full Text Available Aim: To define a range of apparent diffusion coefficient values in spinal tuberculosis and to evaluate the sensitivity of diffusion-weighted magnetic resonance imaging (DW-MRI and apparent diffusion coefficient values in patients of spinal tuberculosis. Materials and Methods: This study was conducted over a period of 20 months and included 110 patients with a total of 230 vertebral bodies. The study was performed in two parts. The first part included all patients of known tuberculosis and patients with classical features of tuberculosis. The second part included patients with spinal pathology of indeterminate etiology. All the patients underwent a routine MRI examination along with diffusion sequences. The apparent diffusion coefficient (ADC values were calculated from all the involved vertebral bodies. Results: The mean ADC value of affected vertebrae in first part of the study was found to be 1.4 ± 0.20 ×10 -3 mm 2 /s. This ADC value was then applied to patients in the second part of study in order to determine its ability in predicting tuberculosis. This range of ADC values was significantly different from the mean ADC values of normal vertebrae and those with metastatic involvement. However, there was an overlap of ADC values in a few tuberculous vertebrae with the ADC values in metastatic vertebrae. Conclusion: We found that DW-MRI and ADC values may help in the differentiation of spinal tuberculosis from other lesions of similar appearance. However, an overlap of ADC values was noted with those of metastatic vertebrae. Therefore diffusion imaging and ADC values must always be interpreted in association with clinical history and routine MRI findings and not in isolation.
Using the range to calculate the coefficient of variation.
Rhiel, G Steven
2004-12-01
In this research a coefficient of variation (CVhigh-low) is calculated from the highest and lowest values in a set of data. Use of CVhigh-low when the population is normal, leptokurtic, and skewed is discussed. The statistic is the most effective when sampling from the normal distribution. With the leptokurtic distributions, CVhigh-low works well for comparing the relative variability between two or more distributions but does not provide a very "good" point estimate of the population coefficient of variation. With skewed distributions CVhigh-low works well in identifying which data set has the more relative variation but does not specify how much difference there is in the variation. It also does not provide a "good" point estimate.
Provenzale, James M; Isaacson, Jared; Chen, Steven; Stinnett, Sandra; Liu, Chunlei
2010-12-01
The purpose of our study was to correlate decrease in apparent diffusion coefficient (ADC) and increase in fractional anisotropy (FA) in various white matter (WM) regions using diffusion tenor imaging (DTI) within the first year of life. We performed DTI on 53 infants and measured FA and ADC within 10 WM regions important in brain development. For each region, we calculated the slope of ADC as a function of FA, the correlation coefficient (r) and correlation of determination (r(2)). We performed a group analysis of r values and r(2)values for six WM regions primarily composed of crossing fibers and four regions primarily having parallel fibers. Upon finding that a strong correlation of FA with age existed, we adjusted for age and calculated partial correlation coefficients. Slopes of FA versus ADC ranged from -1.00711 to -1.67592 (p correlation coefficients ranged from -0.49 to 0.03 and r(2) values from 0.31 to 0.79. The highest partial correlation coefficients were then relatively equally distributed between the two types of WM regions. In various regions, FA and ADC evolved with differing degrees of correlation. We found a strong influence of age on the relationship between FA and ADC.
Bodor, Sándor; Zook, Justin M; Lindner, Erno; Tóth, Klára; Gyurcsányi, Róbert E
2008-05-01
The diffusion coefficients of active components in ion-selective membranes have a decisive influence on the life-time and detection limit of the respective ion-selective electrodes, as well as influencing the rate of polarization and relaxation processes of electrically perturbed ion sensors. Therefore, the rational design of mass transport controlled ion-selective electrodes with sub-nanomolar detection limits requires reliable data on the diffusion coefficients. We have implemented electrochemical methods for the quantitative assessment of both the diffusion coefficients of free ionophores and ion-ionophore complexes. The diffusion coefficients of the pH-sensitive chromoionophore ETH 5294 and the calcium-selective ionophore ETH 5234 were determined in plasticized PVC membranes with different PVC to plasticizer ratios. The diffusion coefficient of the free chromoionophore determined by a chronoamperometric method was validated with optical methods for a variety of membrane compositions. The calcium-selective ionophore ETH 5234 was used as a model compound to assess the diffusion coefficient of the ion-ionophore complex calculated from the time required for the complexes to cross a freshly prepared membrane during potentiometric ion-breakthrough experiments. The difference between the diffusion coefficients of the free ionophore ETH 5234 and the ion-ionophore complex was found to be significant and correlated well with the geometry of the respective species.
An atmospheric electrical method to determine the eddy diffusion coefficient
Indian Academy of Sciences (India)
M N Kulkarni; A K Kamra
2010-02-01
The ion–aerosol balance equations are solved to get the profiles of atmospheric electric parameters over the ground surface in an aerosol-rich environment under the conditions of surface radioactivity. Combining the earlier results for low aerosol concentrations and the present results for high aerosol concentrations, a relation is obtained between the average value of atmospheric electric space charge in the lowest ∼2m, the surface electric field and eddy diffusivity/aerosol concentration. The values of eddy diffusivity estimated from this method using some earlier measurements of space charge and surface electric field are in reasonably good agreement with those calculated from other standard methods using meteorological or electrical variables.
Energy Technology Data Exchange (ETDEWEB)
Oka, Kiyoshi; Yakushiji, Toshitake; Sato, Hiro; Mizuta, Hiroshi [Kumamoto University, Department of Orthopaedic and Neuro-Musculoskeletal Surgery, Faculty of Medical and Pharmaceutical Sciences, Kumamoto (Japan); Hirai, Toshinori; Yamashita, Yasuyuki [Kumamoto University, Department of Diagnostic Radiology, Graduate School of Medical and Pharmaceutical Sciences, Kumamoto (Japan)
2010-02-15
The objective of this study was to evaluate whether the average apparent diffusion coefficient (ADC) or the minimum ADC is more useful for evaluating the chemotherapeutic response of osteosarcoma. Twenty-two patients with osteosarcoma were examined in this study. Diffusion-weighted (DW) and magnetic resonance (MR) images were performed for all patients before and after chemotherapy. The pre- and post-chemotherapy values were obtained both in the average and minimum ADC. The pre-chemotherapy values of the average ADC and minimum ADC respectively were compared with the post-chemotherapy values. In addition, the ADC ratios ([ADC{sub post} - ADC{sub pre}] / ADC{sub pre}) were calculated using the average ADC and the minimum ADC. Twenty-two patients with osteosarcomas were divided into two groups, those with a good response to chemotherapy ({>=} 90% tumor necrosis, n = 7) and those with a poor response (< 90% tumor necrosis, n = 15). The average ADC ratio and the minimum ADC ratio of the two groups were compared. With both the average ADC and the minimum ADC, post-chemotherapy values were significantly higher than pre-chemotherapy values (P < 0.05). The patients with a good response had a significantly higher minimum ADC ratio than those with a poor response (1.01 {+-} 0.22 and 0.55 {+-} 0.29 respectively, P < 0.05). However, with regard to the average ADC ratio, no significant difference was observed between the two groups (0.66 {+-} 0.18 and 0.46 {+-} 0.31 respectively, P = 0.19). The minimum ADC is useful for evaluating the chemotherapeutic response of osteosarcoma. (orig.)
Measurement of diffusion coefficient of propylene glycol in skin tissue
Genin, Vadim D.; Bashkatov, Alexey N.; Genina, Elina A.; Tuchin, Valery V.
2015-03-01
Optical clearing of the rat skin under the action of propylene glycol was studied ex vivo. It was found that collimated transmittance of skin samples increased, whereas weight and thickness of the samples decreased during propylene glycol penetration in skin tissue. A mechanism of the optical clearing under the action of propylene glycol is discussed. Diffusion coefficient of propylene glycol in skin tissue ex vivo has been estimated as (1.35±0.95)×10-7 cm2/s with the taking into account of kinetics of both weight and thickness of skin samples. The presented results can be useful for enhancement of many methods of laser therapy and optical diagnostics of skin diseases and localization of subcutaneous neoplasms.
Directory of Open Access Journals (Sweden)
Lorena Sigaut
2014-06-01
Full Text Available 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.
Energy Technology Data Exchange (ETDEWEB)
Gonen, Korcan Aysun, E-mail: aysunbalc@yahoo.com [Department of Radiology, State Hospital, Eski Cami district, Hastane street, N:1, 59300, Tekirdag (Turkey); Simsek, Mehmet Masum, E-mail: radyoloji@haydapasanumune.gov.tr [Department of Radiology, Haydarpasa Numune Training and Research Hospital, Tibbiye street, Uskudar 34200, Istanbul (Turkey)
2010-11-15
Objective: Estimation of the prognosis of infarction by using diffusion weighted imaging (DWI) and quantitative apparent diffusion coefficient (ADC) measurements. Methods: 23 patients having acute stroke symptoms with verified infarction in magnetic resonance imaging (MRI) were included in this study. Their MRI studies were performed between 6 and 12 h after the onset of their symptoms and were repeated on the fifth day. The infarction volumes were calculated by using DWI and the patients were divided into two groups as the ones having an expansion in the infarction area (group 1, n = 16) and the others having no expansion in the infarction area (group 2, n = 7). Quantitative ADC values were estimated. The groups were compared in terms of the ADC values on ADC maps obtained from DWI, performed during the between 6 and 12 h from the onset of the symptoms, referring to the core of the infarction (ADC{sub IC}), ischemic penumbra (ADC{sub P}) and the nonischemic parenchymal tissue (ADC{sub N}). P values < 0.05 were accepted to be statistically significant. Results: During the between 6 and 12 h mean infarction volume calculated by DWI was 23.3 cm{sup 3} for group 1 patients (ranging from 1.1 to 68.6) and this was found to be 40.3 cm{sup 3} (ranging from 1.8 to 91.5) on the fifth day. For the group 2 patients these values were found to be 42.1 cm{sup 3} (ranging from 1 to 94.7) and 41.9 (ranging from 1 to 94.7) for the same intervals respectively. A significant statistical result was failed to be demonstrated between the mean ADC{sub IC} and ADC{sub N} values (p = 0.350 and p = 0.229 respectively). However the comparison of the ADC{sub P} values between the groups was found to be highly significant (p < 0.001). When the differences between the ADC{sub P} and ADC{sub IC} and ADC{sub N} and ADC{sub P} were compared the results proved to be statistically significant (p = 0.038 and p < 0.001 respectively). Conclusions: We believe that ADC results that would be obtained from
Diffusion coefficient and Kolmogorov entropy of magnetic field lines
Energy Technology Data Exchange (ETDEWEB)
Zimbardo, G.; Veltri, P.; Malara, F. (Cosenza Univ. (Italy). Dip. di Fisica)
1984-08-01
A diffusion equation for magnetic field lines of force in a turbulent magnetic field, which describes both the random walk of a single line and how two nearby lines separate from each other, has been obtained using standard statistical techniques. Starting from such an equation, a closed set of equations for the moments may be obtained, in general, with suitable assumptions. From such a set of equations the Kolmogorov entropy may be explicitly calculated. The results have been applied to the most interesting examples of magnetic field geometries.
SNR dependence of optimal parameters for apparent diffusion coefficient measurements.
Saritas, Emine U; Lee, Jin H; Nishimura, Dwight G
2011-02-01
Optimizing the diffusion-weighted imaging (DWI) parameters (i.e., the b-value and the number of image averages) to the tissue of interest is essential for producing high-quality apparent diffusion coefficient (ADC) maps. Previous investigation of this optimization was performed assuming Gaussian noise statistics for the ADC map, which is only valid for high signal-to-noise ratio (SNR) imaging. In this work, the true statistics of the noise in ADC maps are derived, followed by an optimization of the DWI parameters as a function of the imaging SNR. Specifically, it is demonstrated that the optimum b-value is a monotonically increasing function of the imaging SNR, which converges to the optimum b-value from previously proposed approaches for high-SNR cases, while exhibiting a significant deviation from this asymptote for low-SNR situations. Incorporating the effects of T(2) weighting further increases the SNR dependence of the optimal parameters. The proposed optimization scheme is particularly important for high-resolution DWI, which intrinsically suffers from low SNR and therefore cannot afford the use of the conventional high b-values. Comparison scans were performed for high-resolution DWI of the spinal cord, demonstrating the improvements in the resulting images and the ADC maps achieved by this method.
Xie, Wenhao; Deng, Yong; Lian, Lichao; Yan, Dongmei; Yang, Xiaoquan; Luo, Qingming
2016-01-01
The functional information, the absorption and diffusion coefficients, as well as the structural information of biological tissues can be provided by the DOT(Diffuse Optical Tomograph)/MicroCT. In this paper, we use boundary element method to calculate the forward problem of DOT based on the structure prior given by the MicroCT, and then we reconstruct the absorption and diffusion coefficients of different biological tissues by the Levenberg-Marquardt algorithm. The method only needs surface meshing, reducing the complexity of calculation; in addition, it reconstructs a single value within an organ, which reduces the ill-posedness of the inverse problem to make reconstruction results have good noise stability. This indicates that the boundary element method-based reconstruction can serve as an new scheme for getting absorption and diffusion coefficients in DOT/MicroCT multimodality imaging.
Stevia water needs calculated from the crop coefficient
Directory of Open Access Journals (Sweden)
Martha Constanza Daza Torres
2017-04-01
Full Text Available This study aimed to determine the crop coefficient (Kc curve for stevia (Stevia rebaudiana Bertoni in Candelaria, Valle del Cauca, Colombia. The experiment was conducted during the first half of 2015. In a plot planted with stevia, were located three drainage lysimeters arranged randomly and a portable weather station to determine climatic variables necessary for calculating an evapotranspiration reference (ETo, using the Penman Monteith equation. Soil eld capacity moisture was determined and regular monitoring of both, soil moisture and drainage water depth were performed. Irrigation was applied using an exhaustion coefficient of 10% to bring it back to field capacity moisture. Statistical analyzes were performed and Kc was calculated from the ratio of crop evapotranspiration (ETc to ETo, for each plant in phenological phase. With condidence of 95% Kc for stevia were: growth stage (54 days after transplantation, ddt 0.86 ± 0.12, mature stage (55-72 ddt 1.24 ± 0.10 and senescence stage (72-96 ddt 0.85 ± 0.14. Water consumption of Stevia rebaudiana B., was 4753 m3/ha during its growing cycle of 96 days after transplantation.
Wu, Yan; Duan, Guosheng; Zhao, Xiang
2015-03-01
Effects of magnetic field intensity on carbon diffusion coefficient in pure iron in the γ-Fe temperature region were investigated using carburizing technology. The carbon penetration profiles from the iron surface to interior were measured by field emission electron probe microanalyzer. The carbon diffusion coefficient in pure iron carburized with different magnetic field intensities was calculated according to the Fick's second law. It was found that the magnetic field intensity could obviously affect the carbon diffusion coefficient in pure iron in the γ-Fe temperature region, and the carbon diffusion coefficient decreased obviously with the enhancement of magnetic field intensity, when the magnetic field intensity was higher than 1 T, the carbon diffusion coefficient in field annealed specimen was less than half of that of the nonfield annealed specimen, further enhancing the magnetic field intensity, the carbon diffusion coefficient basically remains unchanged. The stiffening of lattice due to field-induced magnetic ordering was responsible for an increase in activation barrier for jumping carbon atoms. The greater the magnetic field intensity, the stronger the inhibiting effect of magnetic field on carbon diffusion.
Pang, Hyunsoo; Shin, Young-Han; Ihm, Dongchul; Lee, Eok Kyun; Kum, Oyeon
2000-11-01
Molecular dynamics simulations were performed for soft- and hard-sphere systems, for number densities ranging from 0.5 to 1.0, and the Kolmogorov-Sinai entropy (KS entropy) and self-diffusion coefficients were calculated. It is found that the KS entropy, when expressed in terms of average collision frequency, is uniquely related to the self-diffusion coefficient by a simple scaling law. The dependence of the KS entropy on average collision frequency and number density was also explored. Numerical results show that the scaling laws proposed by Dzugutov, and by Beijeren, Dorfman, Posch, and Dellago, can be applied to both soft- and hard-sphere systems by changing to more generalized forms.
Blackness coefficients, effective diffusion parameters, and control rod worths for thermal reactors
Energy Technology Data Exchange (ETDEWEB)
Bretscher, M.M.
1984-09-01
Simple diffusion theory cannot be used to evaluate control rod worths in thermal reactors because of the strongly absorbing character of the control material. However, good results can be obtained from a diffusion calculation by representing the absorber slab by means of a suitable pair of internal boundary conditions, ..cap alpha.. and ..beta.., which are ratios of neutron flux to neutron current. Methods for calculating ..cap alpha.. and ..beta.. in the P/sub 1/, P/sub 3/, and P/sub 5/ approximations, with and without scattering, are presented. By appropriately weighting the fine-group blackness coefficients, broad group values, <..cap alpha..> and <..beta..>, are obtained. The technique is applied to the calculation of control rod worths of Cd, Ag-In-Cd, and Hf control elements. Results are found to compare very favorably with detailed Monte Carlo calculations. For control elements whose geometry does not permit a thin slab treatment, other methods are needed for determining the effective diffusion parameters. One such method is briefly discussed and applied to the calculation of control rod worths in the Ford Nuclear Reactor at the University of Michigan. Calculated and measured worths are found to be in good agreement.
Csóka, Balázs; Nagy, Géza
2004-10-29
Diffusion coefficient of different species in different media is an important property needed in scientific research and practice. A method taking advantage on the special capability of scanning electrochemical microscopy (SECM) is described for the easy and accurate measurement of diffusion coefficient. The method is based on detecting the concentration-time transients with appropriate electrochemical microsensor positioned at the close vicinity of a miniature dose-source device. At a given time (ti), a small dose of the investigated species is introduced. The Deltatmax=(tcmax-ti) value and the distance (d=x+Deltaxn) between the source and the detector microelectrode are used for the calculation of D. While the original set distance (x) cannot be accurately measured in the micrometer scale, the tip travel distance (Deltaxn) of the microscope is well defined. Collecting a few Deltatmax-(x+Deltaxn) data pairs, a reliable value of the diffusion coefficient can be obtained. The procedure is simple, and no exact knowledge of the introduced dose is needed. Two ways of sample dose delivery were used: on the one hand, coulometric generation with current-controlled electric pulse using micro-disc electrode, and on the other one, pressure ejection of a nano-droplet from a glass micropipette. Diffusion coefficient of I2, H2O2, [Ru(NH3)6]Cl3 and K3[Fe(CN)6] were measured in solution and in agarose gel phases of different composition. The effect of polyelectrolyte ion exchangers on the diffusion of the investigated species was checked.
Evaluation of downwelling diffuse attenuation coefficient algorithms in the Red Sea
Tiwari, Surya Prakash
2016-05-07
Despite the importance of the optical properties such as the downwelling diffuse attenuation coefficient for characterizing the upper water column, until recently no in situ optical measurements were published for the Red Sea. Kirby et al. used observations from the Coastal Zone Color Scanner to characterize the spatial and temporal variability of the diffuse attenuation coefficient (Kd(490)) in the Red Sea. To better understand optical variability and its utility in the Red Sea, it is imperative to comprehend the diffuse attenuation coefficient and its relationship with in situ properties. Two apparent optical properties, spectral remote sensing reflectance (Rrs) and the downwelling diffuse attenuation coefficient (Kd), are calculated from vertical profile measurements of downwelling irradiance (Ed) and upwelling radiance (Lu). Kd characterizes light penetration into water column that is important for understanding both the physical and biogeochemical environment, including water quality and the health of ocean environment. Our study tests the performance of the existing Kd(490) algorithms in the Red Sea and compares them against direct in situ measurements within various subdivisions of the Red Sea. Most standard algorithms either overestimated or underestimated with the measured in situ values of Kd. Consequently, these algorithms provided poor retrieval of Kd(490) for the Red Sea. Random errors were high for all algorithms and the correlation coefficients (r2) with in situ measurements were quite low. Hence, these algorithms may not be suitable for the Red Sea. Overall, statistical analyses of the various algorithms indicated that the existing algorithms are inadequate for the Red Sea. The present study suggests that reparameterizing existing algorithms or developing new regional algorithms is required to improve retrieval of Kd(490) for the Red Sea. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is
Energy Technology Data Exchange (ETDEWEB)
Zerr, R. Joseph; Azmy, Yousry [The Pennsylvania State University, University Park, PA (United States); Ouisloumen, Mohamed [Westinghouse Electric Company, LLC, Monroeville, PA (United States)
2008-07-01
Studies have been performed to test for significant gains in core design computational accuracy with the added implementation of direction-dependent diffusion coefficients. The DRAGON code was employed to produce two-group homogeneous B{sub 1} diffusion coefficients and direction-dependent diffusion coefficients with the TIBERE module. A three-dimensional diffusion model of a mini-core was analyzed with the resulting cross section data sets to determine if the multiplication factor or node power was noticeably altered with the more accurate representation of neutronic behaviour in a high-void configuration. Results indicate that using direction-dependent diffusion coefficients homogenized over an entire assembly do not produce significant differences in the results compared to the B{sub 1} counterparts and are much more computationally expensive. Direction-dependent diffusion coefficients that are specific to smaller micro-regions may provide more noteworthy gains in the accuracy of core design computations. (authors)
Noise correction for the exact determination of apparent diffusion coefficients at low SNR.
Dietrich, O; Heiland, S; Sartor, K
2001-03-01
Noise in MR image data increases the mean signal intensity of image regions due to the usually performed magnitude reconstruction. Diffusion-weighted imaging (DWI) is especially affected by high noise levels for several reasons, and a decreasing SNR at increasing diffusion weighting causes systematic errors when calculating apparent diffusion coefficients (ADCs). Two different methods are presented to correct biased signal intensities due to the presence of complex noise: 1) with Gaussian intensity distribution, and 2) with arbitrary intensity distribution. The performance of the correction schemes is demonstrated by numerical simulations and DWI measurements on two different MR systems with different noise characteristics. These experiments show that noise significantly influences the determination of ADCs. Applying the proposed correction schemes reduced the bias of the determined ADC to less than 10% of the bias without correction. Magn Reson Med 45:448-453, 2001. Copyright 2001 Wiley-Liss, Inc.
DIFFUSION COEFFICIENTS IN POLYMER-SOLVENT SYSTEMS FOR HIGHLY CONCENTRATED POLYMER SOLUTIONS
Directory of Open Access Journals (Sweden)
R.A. Reis
2001-12-01
Full Text Available The Vrentas/Duda proposal for the diffusion of polymer-solvent systems, which is based on the free-volume theory, was employed in correlating and predicting mutual diffusion coefficients in highly concentrated polymer solutions. It has been observed that the predictive version of the model is capable of qualitatively representing the experimental data, while the use of an adjustable parameter greatly improves the performance of the model. The systems studied were poly(vinyl acetate-toluene and Neoprene-acetone, and a comparison between experimental data and calculated values from the Vrentas/Duda model is reported. A new experimental apparatus based on the sorption technique was built to provide reliable diffusivity data on the Neoprene-acetone system.
Improved transfer matrix methods for calculating quantum transmission coefficient.
Biswas, Debabrata; Kumar, Vishal
2014-07-01
Methods for calculating the transmission coefficient are proposed, all of which arise from improved nonreflecting WKB boundary conditions at the edge of the computational domain in one-dimensional geometries. In the first, the Schrödinger equation is solved numerically, while the second is a transfer matrix (TM) algorithm where the potential is approximated by steps, but with the first and last matrix modified to reflect the new boundary condition. Both methods give excellent results with first-order WKB boundary conditions. The third uses the transfer matrix method with third-order WKB boundary conditions. For the parabolic potential, the average error for the modified third-order TM method reduces by factor of 4100 over the unmodified TM method.
The solid-phase diffusion coefficient (Dm) and material-air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to es...
Estimation of the eddy diffusivity coefficient in a warm monomictic tropical Lake
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David A. Salas de León
2016-03-01
Full Text Available We used a two-year dataset (1998-1999 of monthly temperature profiles from Lake Alchichica, Mexico to estimate values of the vertical coefficient of eddy diffusivity. This lake is located in a tropical region at high altitude and shows considerable seasonal variations (i.e., rainy and dry seasons. It has an area of 2.3 km2 and a mean depth of 40.9 m. Alchichica is a warm monomictic lake, which annually becomes isothermal near the end of December or early January at the onset of the dry season and remains stratified for the rest of the year (from late March or early April to early December during the warm-rainy season. Mathematical models of the spatial and temporal variation of passive substances in lakes and oceans require a quantitative formulation of the vertical transport. Vertical mixing is generally a function of the density profile, which, in lakes, can be directly related to the temperature profile. A widely used method to estimate the vertical diffusion coefficients in lakes from temperature data is the flux-gradient method. In the present study, we applied a simple approach to calculate the eddy diffusivity coefficient (Kz based on the solution of the vertical component of the modeled temperature equation. We characterized the eddy diffusivity coefficient (Kz in Lake Alchichica as a dynamic coefficient that changes during the year, between years, and with depth, ranging from 10-10 to 10-6 m2 s-1, whereas typical values of Kz in thermally stratified lakes range from 10-9 to 10-2 m2 s-1. As expected, we found the lowest values in the deeper regions of the lake, and that the temporal variation of temperature with depth showed a quasi-bimodal shape from one year to the next. We also found a structure of alternating peaks and troughs in the vertical Kz, which indicates a response to oscillating vertical mixing. We concluded that the solution of the vertical component of the temperature equation could be a useful tool to estimate the eddy
Wu, Dan; Lu, Wanjun
2015-04-01
Injecting CO2 into lean-oil reservoirs is not only a way to geological storage but also enhanced oil recovery. In the secondary displacements of oil reservoir by CO2-injection, diffusion coefficients and solubility of CO2 are key parameters to calculate the volume of CO2 injected and the time to achieve the desired viscosity in the numerical simulation. Unfortunately, the experimental data on the CO2 diffusion coefficient and solubility in liquid hydrocarbons under high pressure conditions are scarce. Hexadecane has properties similar to the average properties of Brazilian heavy oil. Experimental data on the diffusion coefficients and solubility of CO2 in hexadecane were reviewed by Nieuwoudt and Rand (2002), Rincon and Trejo (2001) and Breman et al (1994), indicating that the data in the literature were limited at relatively low temperatures and/or low pressures. In this paper, the diffusion coefficients of carbon dioxide in hexadecane at different temperature and pressure were determined with in situ Raman spectroscopy. A model was established to describe relationship among diffusion coefficients, temperature, and pressure. The solubility of CO2 in hexadecane was obtained from 298.15 to 473.15 K and 10 to 45 MPa. The experimental results show that:(1) Solubility of CO2 decreases with increasing temperature.(2) Increasing pressure increases the CO2 solubility. in terms of the degree of influence,100K is similar with 10MPa.(3) Diffusion coefficients of CO2 increases with increasing temperature. (4) Increasing pressure decreases the CO2 diffusion coefficients, whereas the pressure effect on CO2 diffusion coefficients is very weak. Compared with traditional sampling and analytical methods, the advantages of our method include: (1) the use of in situ Raman signals for solubility measurements eliminates possible uncertainty caused by sampling and ex situ analysis. (2) it is simple and efficient, and (3) high-pressure data can be obtained safely.
Institute of Scientific and Technical Information of China (English)
WANG Chao; WANG Zhi; WANG Jing; SU Tao
2007-01-01
To determinate the water diffusion coefficients and dynamics in adhesive/carbon fiber reinforced epoxy resin composite joints, energy dispersive X-ray spectroscopy analysis(EDX) is used to establish the content change of oxygen in the adhesive in adhesive/carbon fiber reinforced epoxy resin composite joints. As water is made up of oxygen and hydrogen, the water diffusion coefficients and dynamics in adhesive/carbon fiber reinforced epoxy resin composite joints can be obtained from the change in the content of oxygen in the adhesive during humidity aging, via EDX analysis. The authors have calculated the water diffusion coefficients and dynamics in the adhesive/carbon fiber reinforced epoxy resin composite joints with the aid of both energy dispersive X-ray spectroscopy and elemental analysis. The determined results with EDX analysis are almost the same as those determined with elemental analysis and the results also show that the durability of the adhesive/carbon fiber reinforced epoxy resin composite joints subjected to silane coupling agent treatment is better than those subjected to sand paper burnishing treatment and chemical oxidation treatment.
Pollak, T; Köhler, W
2009-03-28
We have measured collective diffusion coefficients of dilute, semidilute, and concentrated solutions of polystyrene in toluene up to a polymer concentration of 0.832 mass fractions at T=25 degrees C. The three employed experimental techniques of photon correlation spectroscopy, thermal diffusion forced Rayleigh scattering, and optical beam deflection cover four orders of magnitude with respect to their characteristic diffusion lengths (200 nm-2.9 mm), corresponding to more than 8 decades of the diffusion time constants. Contrary to existing literature data, which suggest a length scale dependent anomalous diffusion at high concentrations, all our techniques yield identical diffusion coefficients and purely Fickian diffusion, irrespective of their characteristic length scale.
2011-01-01
The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions - a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane are studied.The diffusion coefficients are expressed in terms of the hydrodynamic screen...
Directory of Open Access Journals (Sweden)
A. K. Tripathi
2011-02-01
Full Text Available Pitch-angle diffusion coefficients have been calculated for resonant interaction with electrostatic electron cyclotron harmonic (ECH waves in the magnetospheres of Earth, Jupiter, Saturn, Uranus and Neptune. Calculations have been performed at two radial distances of each planet. It is found that observed wave electric field amplitudes in the magnetospheres of Earth and Jupiter are sufficient to put electrons on strong diffusion in the energy range of less than 100 eV. However, for Saturn, Uranus and Neptune, the observed ECH wave amplitude are insufficient to put electrons on strong diffusion at any radial distance.
Tripathi, A. K.; Singhal, R. P.; Singh, K. P.
2011-02-01
Pitch-angle diffusion coefficients have been calculated for resonant interaction with electrostatic electron cyclotron harmonic (ECH) waves in the magnetospheres of Earth, Jupiter, Saturn, Uranus and Neptune. Calculations have been performed at two radial distances of each planet. It is found that observed wave electric field amplitudes in the magnetospheres of Earth and Jupiter are sufficient to put electrons on strong diffusion in the energy range of less than 100 eV. However, for Saturn, Uranus and Neptune, the observed ECH wave amplitude are insufficient to put electrons on strong diffusion at any radial distance.
Hoppe, Maria; Fornari, Roberta; de Voogt, Pim; Franz, Roland
2017-07-01
Polyethylene terephthalate (PET) is increasingly used as food-contact material in, for example, containers for beverage such as bottles for soft drinks, mineral water, juices and beer. Mass transport of substances present in packaging materials into the packed food and beverages is monitored to verify the food law compliance of the materials. PET is known to contain or give rise to migrants that are oligomers derived from the polymeric material. Until now their actual migration potential has been investigated only poorly. A convenient way to determine their migration would be by using models. To verify existing models with experimental data, a migration kinetic study of PET oligomers was conducted. PET bottle material was submerged in 50% ethanol at 80°C for 15 h. The oligomer content in the migration solutions was determined every hour using LC-MS with the first-series cyclic PET trimer as standard. Diffusion coefficients of five PET oligomers (first-series dimer and trimer, second-series dimer and trimer, and third-series dimer) were calculated from the obtained data and compared with the calculated diffusion coefficients using the models of Welle and Piringer. This is the first study to provide diffusion characteristics of oligomers in PET other than the first-series cyclic trimer.
Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes
Kondratyuk, Nikolay D.; Norman, Genri E.; Stegailov, Vladimir V.
2016-11-01
Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane. The non-conventional long-time tails of the velocity autocorrelation function (VACF) are found for this system. Temperature dependence of the VACF tail decay exponent is defined. The proper inclusion of the long-time tail contributions to the diffusion coefficient calculation results in the consistency between G-K and E-S methods. Having considered the major factors influencing the precision of the diffusion rate calculations in comparison with experimental data (system size effects and force field parameters), we point to hydrogen nuclear quantum effects as, presumably, the last obstacle to fully consistent n-alkane description.
Diffusion in the system K2O-SrO-SiO2. II - Cation self-diffusion coefficients.
Varshneya, A. K.; Cooper, A. R.
1972-01-01
The self-diffusion coefficients were measured by introducing a slab of glass previously irradiated in a reactor between two slabs of unirradiated glass. By heating the specimens, etching them sequentially and determining the radioactivity, self-diffusion coefficients for K and Sr were measured. It is pointed out that the results obtained in the investigations appear to support the proposal that the network of the base glass predominantly controls the activation energy for the diffusion of ions.
Diffusion coefficient distribution from NMR-DOSY experiments using Hopfield neural network
Sebastião, Rita C. O.; Pacheco, Carlos N.; Braga, J. P.; Piló-Veloso, Dorila
2006-09-01
Diffusion ordered spectroscopy (DOSY) is a powerful two-dimensional NMR method to study molecular translation in various systems. The diffusion coefficients are usually retrieved, at each frequency, from a fit procedure on the experimental data, considering a unique coefficient for each molecule or mixture. However, the fit can be improved if one regards the decaying curve as a multiexponential function and the diffusion coefficient as a distribution. This work presents a computer code based on the Hopfield neural network to invert the data. One small-molecule binary mixture with close diffusion coefficients is treated with this approach, demonstrating the effectiveness of the method.
Ertas, Gokhan; Onaygil, Can; Akin, Yasin; Kaya, Handan; Aribal, Erkin
2016-12-01
To investigate the accuracy of diffusion coefficients and diffusion coefficient ratios of breast lesions and of glandular breast tissue from mono- and stretched-exponential models for quantitative diagnosis in diffusion-weighted magnetic resonance imaging (MRI). We analyzed pathologically confirmed 170 lesions (85 benign and 85 malignant) imaged using a 3.0T MR scanner. Small regions of interest (ROIs) focusing on the highest signal intensity for lesions and also for glandular tissue of contralateral breast were obtained. Apparent diffusion coefficient (ADC) and distributed diffusion coefficient (DDC) were estimated by performing nonlinear fittings using mono- and stretched-exponential models, respectively. Coefficient ratios were calculated by dividing the lesion coefficient by the glandular tissue coefficient. A stretched exponential model provides significantly better fits then the monoexponential model (P correlation was found in diffusion coefficients (0.99-0.81 and coefficient ratios (0.94) between the models. The highest diagnostic accuracy was found by the DDC ratio (area under the curve [AUC] = 0.93) when compared with lesion DDC, ADC ratio, and lesion ADC (AUC = 0.91, 0.90, 0.90) but with no statistically significant difference (P > 0.05). At optimal thresholds, the DDC ratio achieves 93% sensitivity, 80% specificity, and 87% overall diagnostic accuracy, while ADC ratio leads to 89% sensitivity, 78% specificity, and 83% overall diagnostic accuracy. The stretched exponential model fits better with signal intensity measurements from both lesion and glandular tissue ROIs. Although the DDC ratio estimated by using the model shows a higher diagnostic accuracy than the ADC ratio, lesion DDC, and ADC, it is not statistically significant. J. Magn. Reson. Imaging 2016;44:1633-1641. © 2016 International Society for Magnetic Resonance in Medicine.
Drabik, Dominik; Przybyło, Magda; Sikorski, Aleksander; Langner, Marek
2016-03-01
Fluorescence Correlation Spectroscopy (FCS) is a technique, which allows determination of the diffusion coefficient and concentration of fluorescent objects suspended in the solution. The measured parameter is the fluctuation of the fluorescence signal emitted by diffusing molecules. When 100 nm DOPC vesicles labeled with various fluorescent dyes (Fluorescein-PE, NBD-PE, Atto488 DOPE or βBodipy FL) were measured, different values of diffusion coefficients have been obtained. These diffusion coefficients were different from the expected values measured using the dynamic light scattering method (DLS). The FCS was initially developed for solutions containing small fluorescent molecules therefore the observed inconsistency may result from the nature of vesicle suspension itself. The duration of the fluorescence signal may depend on the following factors: the exposure time of the labeled object to the excitation beam, the photo-physical properties (e.g., stability) of a fluorophore, the theoretical model used for the calculations of the diffusion coefficient and optical properties of the vesicle suspension. The diffusion coefficients determined for differently labeled liposomes show that its dependence on vesicle size and quantity of fluorescent probed used for labeling was significant demonstrating that the fluorescence properties of the fluorophore itself (bleaching and/or blinking) were critical factors for a correct outcome of FCS experiment. The new, based on combined FCS and DLS measurements, method for the determination of the focal volume prove itself to be useful for the evaluation of a fluorescence dye with respect to its applicability for FCS experiment.
Institute of Scientific and Technical Information of China (English)
LIXiangbin; ZHAOYuechun; 等
2002-01-01
A new model,phase equilibrium-kinetics model(PEKM),for estimation of diffusion coefficient was proposed in this paper.Kinetic exeriments of phenol desorption on NKAII resin in the presence and the absence of ultrasound wree separately conducted,and diffusion coefficients of phenol within an adsorbent particle were estimated by means of proposed PEKM and classic simplified model.Results show that the use of ultrasound not only changes the phase equilibrium state of NKAII resin/phenol/water system which had been equilibrium at normal condition,but also enhances diffusion of phenol within the resin.The diffusion coefficient of phenol in the resin in the field of ultrasound increases in an order of magnitude in comparison with the diffusion coefficient determined under no ultrasound.Experimental results also indicated that the diffusion coefficients estimated by PEKM were more accurate than that estimated by the classic simplified mode.
The effect of impermeable boundaries of arbitrary geometry on the apparent diffusion coefficient.
Frøhlich, Astrid F; Jespersen, Sune N; Ostergaard, Leif; Kiselev, Valerij G
2008-09-01
The apparent diffusion coefficient (ADC) obtained from NMR measurements is modelled for diffusion in a compartment restricted by an impermeable boundary. For a given pulse sequence, the ADC can be determined from the connected velocity autocorrelation function (the second-order velocity cumulant), which we show can be expressed as a double surface integral over the boundary, involving the probability for molecules to diffuse from one boundary point to another. There is no restriction on the geometry of the boundary. This result allows a fast calculation of the ADC for an arbitrary time course of the diffusion-sensitizing gradient. Explicit examples are given for diffusion within three basic geometries for different pulse sequences. The ADCs measured with the Stejskal-Tanner pulse sequence and a more realistic pulse sequence with slice selection gradient and eddy current compensation are found to yield almost identical results. The application of the results are discussed in relation to determination of the microscopic structure of brain white matter.
Fractal scaling of effective diffusion coefficient of solute in porous media
Institute of Scientific and Technical Information of China (English)
无
2001-01-01
Fractal approach is used to derive a power law relation betweeneffective diffusion coefficient of solute in porous media and the geometry parameter characterizing the media. The results are consistent with the empirical equations analogous to Archie'slaw and are expected to be applied to prediction of effective diffusion coefficient.
Beijeren, H. van; Kehr, K.W.
1986-01-01
The correlation factor, defined as the ratio between the tracer diffusion coefficient in lattice gases and the diffusion coefficient for a corresponding uncorrelated random walk, is known to assume a very simple form under certain conditions. A simple derivation of this is given with the aid of
Apparent diffusion coefficient parametric response mapping MRI for follow-up of glioblastoma
Energy Technology Data Exchange (ETDEWEB)
Yoon, Ra Gyoung [Catholic Kwandong University International St. Mary' s Hospital, Catholic Kwandong University College of Medicine, Department of Radiology, Seo-gu, Incheon (Korea, Republic of); Kim, Ho Sung; Hong, Gil Sun; Kim, Sang Joon [Asan Medical Center, University of Ulsan College of Medicine, Department of Radiology and Research Institute of Radiology, Songpa-Gu, Seoul (Korea, Republic of); Kim, Dae Yoon [Bundang Jesaeng Hospital, Department of Radiology, Seongnam-si, Gyeonggi-do (Korea, Republic of)
2016-04-15
To determine the diagnostic superiority of parametric response mapping of apparent diffusion coefficient (ADCPR) for predicting glioblastoma treatment response, compared to single time point measurement. Fifty post-treatment glioblastoma patients were enrolled. ADCPR was calculated from serial apparent diffusion coefficient (ADC) maps acquired before and at the time of first detection of an enlarged contrast-enhancing lesion on voxel-by-voxel basis. The percentage-decrease in ADCPR and tenth percentile histogram cutoff value of ADC (ADC10) were compared at subsequent 3-month and 1-year follow-ups. The percentage-decrease in ADCPR was significantly higher in the progression group (mean = 33.2-38.3 %) than in the stable-response group (mean = 9.7 %) at 3 months follow-up (corrected p < 0.001 for both readers). ADCPR significantly improved area under the receiver operating characteristic curve from 0.67 to 0.88 (corrected p = 0.037) and from 0.70 to 0.92 (corrected p = 0.020) for both readers, respectively, compared to ADC10 at 3-month follow-up, but did not significantly improve at 1-year follow-up. The inter-reader agreement was higher for ADCPR than ADC10 (intraclass correlation coefficient, 0.93 versus 0.86). Voxel-based ADCPR appears to be a superior imaging biomarker than ADC, particularly for predicting early tumour progression in patients with glioblastoma. (orig.)
On the Diffusion Coefficient of Water in Polymer Electrolyte Membranes
DEFF Research Database (Denmark)
Olesen, Anders Christian; Berning, Torsten; Kær, Søren Knudsen
2012-01-01
generate a local maximum, if a wrong equilibrium water content relation is used. Finally, in order to study the obtained diffusivity model a parameter variation is carried out using a one-dimensional steady-state model. The effect of diffusivity model, surface roughness and water content driving force...
On the Diffusion Coefficient of Water in Polymer Electrolyte Membranes
DEFF Research Database (Denmark)
Olesen, Anders Christian; Berning, Torsten; Kær, Søren Knudsen
2012-01-01
The Fickian diffusivity of water in Nafion has been shown to exhibit a local maximum. In the present research effort it is shown that this spike vanishes if the equilibrium water content and chemical diffusivity are modeled carefully. Further, it is shown that permeation experiments falsely can g...
Evaluation of diffusion coefficients in multicomponent mixtures by means of the fluctuation theory
DEFF Research Database (Denmark)
Shapiro, Alexander
2003-01-01
We derive general expressions for diffusion coefficients in multicomponent non-ideal gas or liquid mixtures. The derivation is based on the general statistical theory of fluctuations around an equilibrium state. The matrix of diffusion coefficients is expressed in terms of the equilibrium thermod...... characteristics. We demonstrate on several examples that the developed theory is in agreement with the established experimental facts and dependencies for the diffusion coefficients. (C) 2002 Elsevier Science B.V. All rights reserved.......We derive general expressions for diffusion coefficients in multicomponent non-ideal gas or liquid mixtures. The derivation is based on the general statistical theory of fluctuations around an equilibrium state. The matrix of diffusion coefficients is expressed in terms of the equilibrium...
Seki, Kazuhiko; Ramachandran, Sanoop; Komura, Shigeyuki
2011-08-01
The diffusion coefficient of an inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion coefficients of two types of inclusions, a circular domain composed of fluid with the same viscosity as the host membrane and that of a polymer chain embedded in the membrane, are studied. The diffusion coefficients are expressed in terms of the hydrodynamic screening lengths, which vary according to the solvent thickness. When the membrane fluid is dragged by the solvent of finite thickness, via stick boundary conditions, multiple hydrodynamic screening lengths together with the weight factors to the diffusion coefficients are obtained from the characteristic equation. The conditions for which the diffusion coefficients can be approximated by the expression including only a single hydrodynamic screening length are also shown.
Institute of Scientific and Technical Information of China (English)
张连顺; 张春平; 王新宇; 祁胜文; 许棠; 田建国; 张光寅
2002-01-01
The applicability of diffusion theory for the determination of tissue optical properties from steady-state diffuse reflectance is investigated. Analytical expressions from diffusion theory using the two most commonly assumed boundary conditions at the air-tissue interface and the two definitions of the diffusion coefficient are compared with Monte Carlo simulations. The effects of the choice of the boundary conditions and diffusion coefficients on the accuracy of the findings for the optical parameters are quantified, and criteria for accurate curve-fitting algorithms are developed. It is shown that the error in deriving the optical coefficients is considerably smaller for the solution which uses the extrapolated boundary condition and the diffusion coefficient independence of absorption coefficient, compared to the other three solutions.
Energy Technology Data Exchange (ETDEWEB)
Toyoshima, S.; Noguchi, K.; Seto, H.; Shimizu, M.; Watanabe, N. [Toyama Medical and Pharmaceutical Univ. (Japan). Dept. of Radiology
2000-11-01
To determine the relationship between apparent diffusion coefficient (ADC) values measured by diffusion-weighted MR imaging and split renal function determined by renal scintigraphy in patients with hydronephrosis. Material and Methods: Diffusion-weighted imaging on a 1.5 T MR unit and renal scintigraphy were performed in 36 patients with hydronephrosis (45 hydronephrotic kidneys, 21 non-hydronephrotic kidneys). ADC values of the individual kidneys were measured by diffusion-weighted MR imaging. Split renal function (glomerular filtration rate (GFR)) was determined by renal scintigraphy using {sup 99m}Tc-DTPA. The relationship between ADC values and split GFR was examined in 66 kidneys. The hydronephrotic kidneys were further classified into three groups (severe renal dysfunction, GFR <10 ml/min, n=7; moderate renal dysfunction, GFR 10-25 ml/min, n=10; normal renal function, GFR >25 ml/min, n=28), and mean values for ADCs were calculated. Results: In hydronephrotic kidneys, there was a moderate positive correlation between ADC values and split GFR (R2=0.56). On the other hand, in non-hydronephrotic kidneys, poor correlation between ADC values and split GFR was observed (R2=0.08). The mean values for ADCs of the dysfunctioning hydronephrotic kidneys (severe renal dysfunction, 1.32x10{sup -3}{+-}0.18x10{sup -3} mm{sup 2}/s; moderate renal dysfunction, 1.38x10{sup -3}{+-}0.10x10{sup -3} mm2/s) were significantly lower than that of the normal functioning hydronephrotic kidneys (1.63x10{sup -3}{+-}0.12{+-}10{sup -3} mm{sup 2}/s). Conclusion: These results indicated that measurement of ADC values by diffusion-weighted MR imaging has a potential value in the evaluation of the functional status of hydronephrotic kidneys.
Directory of Open Access Journals (Sweden)
L.I. Gladka
2012-10-01
Full Text Available The analysis of basic and combined models for calculation of effective kinetic coefficients required to describe diffusion processes in two-phase heterogeneous environments is conducted. For a transition zone that grows between two interacting diffusion phases was built a new model of effective medium. In this model the effective kinetic coefficient depends on the kinetic coefficients in each of the phases, volumetric particle phases and additional free parameter, which generally characterizes the type of structure of a bi-phase zone. It is shown that the combined model is constructed to describe the percolation behavior of effective medium. The phenomenological approach describes the formation and development of bi-phase zones in ternary systems which including streams through both phases and the analysis of the impact of the model on the resulting effective medium diffusion zone.
Diffusion coefficient test of {sup 237}Np in bentonite backfill materials
Energy Technology Data Exchange (ETDEWEB)
Cui Anxi; Fan Zhiwen; Zhang Jinsheng; Gu Cunli [China Inst. for Radiation Protection, Shanxi (China); Mukai, M.; Maeda, T.; Matsumoto, J.; Tanaka, T.; Ogawa, H. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
2002-03-01
This paper describes the work on diffusion coefficient test of Np in bentonite backfill materials. Due to its very low permeability, diffusion is the dominant migration mechanics in bentonite. The bentonite comes from Inner Mongolia of China. {sup 237}Np was used as tracer. The special apparatus for diffusion test was setup, the diffusion coefficient of Np in pure bentonite and sand-bentonite mixture were tested. The tracer was introduced between two bentonite columns. After a specific contacting period, the bentonite columns were taken out and cut to very thin slices. The radioactivity in bentonite slices was analyzed to give the nuclide concentration versus distance curves. The diffusion coefficient could be estimated. The diffusion coefficient of pure bentonite at different density was tested. When the density of pure bentonite samples varied from 1.1, 1.3, 1.5 to 1.7 g/ml, their diffusion coefficient were 1.36 x 10{sup -13} m{sup 2}/s 1.16 x 10{sup -13}m{sup 2}/s, 1.07 x 10{sup -13} m{sup 2}/s and 8.26 x 10{sup -14} m{sup 2}/s respectively. The diffusion coefficient of Np in sand-bentonite mixture sample was 4.13 x 10{sup -13} m{sup 2}/s. To estimate the distribution coefficient (K{sub d}) value of Np in mixture sample by diffusion method, the diffusion coefficient of Br was measured./ The concluded K{sub d} value was 77ml/g for the sand-bentonite mixture. The K{sub d} value obtained by batch test methods was 30ml/g. The reason is related with the error of Br diffusion coefficient and solid-liquid ratio. (author)
Buchdahl's glass dispersion coefficients calculated from Schott equation constants.
Reardon, P J; Chipman, R A
1989-08-15
A method for the rapid evaluation of Buchdahl's dispersion coefficients at an arbitrary base wavelength given the Schott equation constants is presented. Buchdahl's chromatic coordinate transformation is performed on the Schott equation for the refractive index. A Taylor series expansion of the transformed Schott equation is then equated to the square of the Buchdahl dispersion model. Equations for Buchdahl's dispersion coefficients are then obtained for any base wavelength by matching the power of Buchdahl's chromatic coordinate omega out to fourth order.
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...
Impurity Diffusion Coefficients of Al and Zn in Mg Determined from Solid-to-Solid Diffusion Couples
Energy Technology Data Exchange (ETDEWEB)
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
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.
Optimal estimation of diffusion coefficients from single-particle trajectories
DEFF Research Database (Denmark)
Vestergaard, Christian L.; Blainey, Paul C.; Flyvbjerg, Henrik
2014-01-01
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...
Institute of Scientific and Technical Information of China (English)
SUN Guowen; SUN Wei; ZHANG Yunsheng; LIU Zhiyong
2012-01-01
N-layered spherical inclusions model was used to calculate the effective diffusion coefficient of chloride ion in cement-based materials by using multi-scale method and then to investigate the relationship between the diffusivity and the microstructure of cement-basted materials where the microstructure included the interfacial transition zone (ITZ) between the aggregates and the bulk cement pastes as well as the microstructure of the bulk cement paste itself.For the convenience of applications,the mortar and concrete were considered as a four-phase spherical model,consisting of cement continuous phase,dispersed aggregates phase,interface transition zone and their homogenized effective medium phase.A general effective medium equation was estabhshed to calculate the diffusion coefficient of the hardened cement paste by considering the microstructure.During calculation,the tortuosity (n) and eonstrictivity factors (Ds/D0) of pore in the hardened pastes are n≈3.2,Ds/D0=1.0× 10-4 respectively from the test data.The calculated results using the n-layered spherical inclusions model are in good agreement with the experimental results; The effective diffusion coefficient of ITZ is 12 times that of the bulk cement for mortar and 17 times for concrete due to the difference between particle size distribution and the volume fraction of aggregates in mortar and concrete.
Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach
Energy Technology Data Exchange (ETDEWEB)
Shamloo, Amir, E-mail: shamloo@sharif.edu; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria, E-mail: aalasti@sharif.edu
2016-07-15
Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted. - Highlights: • Molecular dynamics simulation of crossing nano-particles through the BBB membrane at different velocities. • Recording the position of nano-particle and the membrane-NP interaction force profile. • Identification of a frequency domain model for the membrane. • Calculating the diffusion coefficient based on MD simulation and identified model. • Obtaining a relation between continuum medium and discrete medium.
Directory of Open Access Journals (Sweden)
Salem Abdelmalek
2014-11-01
Full Text Available In this article we construct the invariant regions for m-component reaction-diffusion systems with a tridiagonal symmetric Toeplitz matrix of diffusion coefficients and with nonhomogeneous boundary conditions. We establish the existence of global solutions, and use Lyapunov functional methods. The nonlinear reaction term is assumed to be of polynomial growth.
Shetty, Anil N.; CHIANG, SHARON; Maletic-Savatic, Mirjana; Kasprian, Gregor; Vannucci, Marina; Lee, Wesley
2014-01-01
In this article, we discuss the theoretical background for diffusion weighted imaging and diffusion tensor imaging. Molecular diffusion is a random process involving thermal Brownian motion. In biological tissues, the underlying microstructures restrict the diffusion of water molecules, making diffusion directionally dependent. Water diffusion in tissue is mathematically characterized by the diffusion tensor, the elements of which contain information about the magnitude and direction of diffu...
Impact of post-processing methods on apparent diffusion coefficient values.
Zeilinger, Martin Georg; Lell, Michael; Baltzer, Pascal Andreas Thomas; Dörfler, Arnd; Uder, Michael; Dietzel, Matthias
2017-03-01
The apparent diffusion coefficient (ADC) is increasingly used as a quantitative biomarker in oncological imaging. ADC calculation is based on raw diffusion-weighted imaging (DWI) data, and multiple post-processing methods (PPMs) have been proposed for this purpose. We investigated whether PPM has an impact on final ADC values. Sixty-five lesions scanned with a standardized whole-body DWI-protocol at 3 T served as input data (EPI-DWI, b-values: 50, 400 and 800 s/mm(2)). Using exactly the same ROI coordinates, four different PPM (ADC_1-ADC_4) were executed to calculate corresponding ADC values, given as [10(-3) mm(2)/s] of each lesion. Statistical analysis was performed to intra-individually compare ADC values stratified by PPM (Wilcoxon signed-rank tests: α = 1 %; descriptive statistics; relative difference/∆; coefficient of variation/CV). Stratified by PPM, mean ADCs ranged from 1.136-1.206 *10(-3) mm(2)/s (∆ = 7.0 %). Variances between PPM were pronounced in the upper range of ADC values (maximum: 2.540-2.763 10(-3) mm(2)/s, ∆ = 8 %). Pairwise comparisons identified significant differences between all PPM (P ≤ 0.003; mean CV = 7.2 %) and reached 0.137 *10(-3) mm(2)/s within the 25th-75th percentile. Altering the PPM had a significant impact on the ADC value. This should be considered if ADC values from different post-processing methods are compared in patient studies. • Post-processing methods significantly influenced ADC values. • The mean coefficient of ADC variation due to PPM was 7.2 %. • To achieve reproducible ADC values, standardization of post-processing is recommended.
Plessis, Sylvain; Mandt, Kathy; Greathouse, Thomas; Luspay-Kuti, Adrienn
2015-01-01
Bimolecular diffusion coefficients are important parameters used by atmospheric models to calculate altitude profiles of minor constituents in an atmosphere. Unfortunately, laboratory measurements of these coefficients were never conducted at temperature conditions relevant to the atmosphere of Titan. Here we conduct a detailed uncertainty analysis of the bimolecular diffusion coefficient parameters as applied to Titan's upper atmosphere to provide a better understanding of the impact of uncertainty for this parameter on models. Because temperature and pressure conditions are much lower than the laboratory conditions in which bimolecular diffusion parameters were measured, we apply a Bayesian framework, a problem-agnostic framework, to determine parameter estimates and associated uncertainties. We solve the Bayesian calibration problem using the open-source QUESO library which also performs a propagation of uncertainties in the calibrated parameters to temperature and pressure conditions observed in Titan's u...
Digital Repository Service at National Institute of Oceanography (India)
Jyothi, D.; Murty, T.V.R.; Sarma, V.V.; Rao, D.P.
of Marine Sciences Vol. 29, June 2000, pp. 185-187 Short Communication Computation of diffusion coefficients for waters of Gauthami Godavari estuary using one-dimensional advection-diffusion model D Jyothi, T V Ramana Murty, V V Sarma & D P Rao National.... - Jan.) Y2(x) = 8.55283 x + 17.5469 (Jan. - April) These equations would be more useful to get diffusion coefficients for any point along the channel axis, which in turn, helps to compute the concentration of pollutant along the axis of estuary. Thus...
Moisture in Self-levelling Flooring Compounds. Part I. Water Vapour Diffusion Coefficients
Anderberg, Anders; Wadsö, Lars
2004-01-01
Diffusion coefficients of three self-levelling flooring compounds (SLC) and water vapour resistance of a primer have been measured with the cup method. The results show that the diffusion coefficient is dependent not only on the vapour content (relative humidity), but also on the absolute moisture content, i.e., there is a hysteresis effect on moisture transport. At RH lower than approximately 90 %, SLC have higher diffusion coefficients than a standard concrete (w/c 0.7 OPC), but the opposit...
ORIGINAL ARTICLE Value of apparent diffusion coefficient (ADC) in ...
African Journals Online (AJOL)
coefficient (ADC) values could be used as a reliable detector of response in carcinoma of ... time (TE) 15 - 100 ms, echo train length 15 kHz, bandwidth 20.83 kHz, field of view .... Cell lysis is often the first effect of many different types of therapy ...
EFFECTIVE DIFFUSION AND EFFECTIVE DRAG COEFFICIENT OF A BROWNIAN PARTICLE IN A PERIODIC POTENTIAL
Institute of Scientific and Technical Information of China (English)
Hongyun Wang
2011-01-01
We study the stochastic motion of a Brownian particle driven by a constant force over a static periodic potential.We show that both the effective diffusion and the effective drag coefficient are mathematically well-defined and we derive analytic expressions for these two quantities.We then investigate the asymptotic behaviors of the effective diffusion and the effective drag coefficient,respectively,for small driving force and for large driving force.In the case of small driving force,the effective diffusion is reduced from its Brownian value by a factor that increases exponentially with the amplitude of the potential.The effective drag coefficient is increased by approximately the same factor.As a result,the Einstein relation between the diffusion coefficient and the drag coefficient is approximately valid when the driving force is small.For moderately large driving force,both the effective diffusion and the effective drag coefficient are increased from their Brownian values,and the Einstein relation breaks down. In the limit of very large driving force,both the effective diffusion and the effective drag coefficient converge to their Brownian values and the Einstein relation is once again valid.
Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine
2017-06-21
The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive
Continuous-energy eigenvalue sensitivity coefficient calculations in TSUNAMI-3D
Energy Technology Data Exchange (ETDEWEB)
Perfetti, C. M.; Rearden, B. T. [Oak Ridge National Laboratory, Reactor and Nuclear Systems Division, P.O. Box 2008, Oak Ridge, TN 37831-6170 (United States)
2013-07-01
Two methods for calculating eigenvalue sensitivity coefficients in continuous-energy Monte Carlo applications were implemented in the KENO code within the SCALE code package. The methods were used to calculate sensitivity coefficients for several test problems and produced sensitivity coefficients that agreed well with both reference sensitivities and multigroup TSUNAMI-3D sensitivity coefficients. The newly developed CLUTCH method was observed to produce sensitivity coefficients with high figures of merit and a low memory footprint, and both continuous-energy sensitivity methods met or exceeded the accuracy of the multigroup TSUNAMI-3D calculations. (authors)
Development of a SCALE Tool for Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations
Energy Technology Data Exchange (ETDEWEB)
Perfetti, Christopher M [ORNL; Rearden, Bradley T [ORNL
2013-01-01
Two methods for calculating eigenvalue sensitivity coefficients in continuous-energy Monte Carlo applications were implemented in the KENO code within the SCALE code package. The methods were used to calculate sensitivity coefficients for several criticality safety problems and produced sensitivity coefficients that agreed well with both reference sensitivities and multigroup TSUNAMI-3D sensitivity coefficients. The newly developed CLUTCH method was observed to produce sensitivity coefficients with high figures of merit and low memory requirements, and both continuous-energy sensitivity methods met or exceeded the accuracy of the multigroup TSUNAMI-3D calculations.
Akimoto, Takuma
2016-01-01
Local diffusion coefficients in living cells are highly heterogeneous and may change over time. Such a time-dependent and spatially heterogeneous environment results in irreproducibility of single-particle-tracking measurements. Here, we provide rigorous descriptions of equilibrium and non-equilibrium diffusion processes for a heterogeneous diffusion model in living cells. We give exact solutions for the mean square displacement (MSD) and the relative standard deviation of the time-averaged MSD for equilibrium and non-equilibrium situations. We find that the time-averaged MSD grows linearly with time and that the diffusion coefficients are intrinsically random in non-equilibrium situations. Our findings pave the way for a theoretical understanding of irreproducible diffusion coefficients in cell biology.
Determination of the concentration dependent diffusion coefficient of nitrogen in expanded austenite
DEFF Research Database (Denmark)
Christiansen, Thomas; Somers, Marcel A. J.
2008-01-01
The concentration dependent diffusion coefficient of nitrogen in expanded austenite was determined from of the rate of retracting nitrogen from thin initially N-saturated coupons. Nitrogen saturated homogeneous foils of expanded austenite were obtained by nitriding AISI 304 and AISI 316 in pure...... ammonia at 693 K and 718 K. Denitriding experiments were performed by equilibrating the foils with a successively lower nitrogen activity, as imposed by a gas mixture of ammonia and hydrogen. The concentration dependent diffusion coefficient of nitrogen in expanded austenite was approximated...... in the composition range where nitrogen can be extracted by hydrogen gas at the diffusion temperature. Numerical simulation of the denitriding experiments shows that the thus determined concentration dependent diffusion coefficients are an accurate approximation of the actual diffusivity of nitrogen in expanded...
The Diffusion Coefficient For Piecewise Expanding Maps Of The Interval With Metastable States
Dolgopyat, Dmitry
2010-01-01
Consider a piecewise smooth expanding map of the interval possessing several invariant subintervals and the same number of ergodic absolutely continuous invariant probability measures (ACIMs). After this system is perturbed to make the subintervals lose their invariance in such a way that there is a unique ACIM, we show how to approximate the diffusion coefficient for an observable of bounded variation by the diffusion coefficient of a related continuous time Markov chain.
Quasi-harmonic calculations of the isotope effect in diffusion
Energy Technology Data Exchange (ETDEWEB)
Harding, J.H.
1986-11-10
It is shown how the kinetic energy factor for isotope diffusion may be calculated within the quasi-harmonic approximation using methods devised to calculate the vibrational contribution to defect entropies. The results are compared with experiment in the cases of CoO and NiO and good agreement found.
Computer program for equilibrium calculation and diffusion simulation
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
A computer program called TKCALC(thermodynamic and kinetic calculation) has been successfully developedfor the purpose of phase equilibrium calculation and diffusion simulation in ternary substitutional alloy systems. The program was subsequently applied to calculate the isothermal sections of the Fe-Cr-Ni system and predict the concentrationprofiles of two γ/γ single-phase diffusion couples in the Ni-Cr-Al system. The results are in excellent agreement withTHERMO-CALC and DICTRA software packages. Detailed mathematical derivation of some important formulae involvedis also elaborated
Energy Technology Data Exchange (ETDEWEB)
Cipolla, Valentina, E-mail: valentina.cipolla@yahoo.it [Department of Radiological Sciences, University of Rome “Sapienza”, Viale del Policlinico 155, 00161 Rome (Italy); Santucci, Domiziana; Guerrieri, Daniele; Drudi, Francesco Maria [Department of Radiological Sciences, University of Rome “Sapienza”, Viale del Policlinico 155, 00161 Rome (Italy); Meggiorini, Maria Letizia [Department of Gynaecological Sciences, University of Rome “Sapienza”, Viale del Policlinico 155, 00161 Rome (Italy); Felice, Carlo de [Department of Radiological Sciences, University of Rome “Sapienza”, Viale del Policlinico 155, 00161 Rome (Italy)
2014-12-15
Highlights: • Apparent diffusion coefficient is a quantitative parameter which reflects molecular water movement. • Grading is an independent prognostic factor which correlates with other histopathological features. • Apparent diffusion coefficient values were significantly different between G1 and G3 classes. - Abstract: Purpose: The aim of this study was to evaluate whether the apparent diffusion coefficient (ADC) provided by 3.0 T (3 T) magnetic resonance diffusion-weighted imaging (DWI) varied according to the grading of invasive breast carcinoma. Materials and methods: A total of 92 patients with 96 invasive breast cancer lesions were enrolled; all had undergone 3 T magnetic resonance imaging (MRI) for local staging. All lesions were confirmed by histological analysis, and tumor grade was established according to the Nottingham Grading System (NGS). MRI included both dynamic contrast-enhanced and DWI sequences, and ADC value was calculated for each lesion. ADC values were compared with NGS classification using the Mann–Whitney U and the Kruskal–Wallis H tests. Grading was considered as a comprehensive prognostic factor, and Rho Spearman test was performed to determine correlation between grading and tumor size, hormonal receptor status, HER2 expression and Ki67 index. Pearson's Chi square test was carried out to compare grading with the other prognostic factors. Results: ADC values were significantly higher in G1 than in G3 tumors. No significant difference was observed when G1 and G3 were compared with G2. Tumor size, hormonal receptor status, HER2 expression and Ki67 index correlated significantly with grading but there was a significant difference only between G1 and G3 related to the ER and PR status, HER2 expression and Ki67 index. There was no statistically significant difference in lesion size between the two groups. Conclusion: ADC values obtained on 3 T DWI correlated with low-grade (G1) and high-grade (G3) invasive breast carcinoma. 3
Institute of Scientific and Technical Information of China (English)
LI Pengping; SU Dagen; WANG Shengnian; FAN Zhihong
2011-01-01
The influence of binder composition and pore structure of concrete on chloride diffusion coefficient in concrete were investigated by the natural immersion test, MIP test, SEM and EDS test, respectively. The experimental results showed that the effect of binder composition on chloride diffusion coefficient was the comprehensive result of concrete pore structure and binder hydration products, and the porosity and pore size distribution were the main factors that influence the changes of diffusion coefficient. The chloride diffusion coefficient decreased with increasing the curing temperature and the relative humidity. The hydration degree were promoted by improving curing temperatures, and then the porosity of concrete decreased and the proportion of gel pore and transitional pore increased, respectively. But the water evaporation decreased with increasing the relative humidity and then decreased porosity and increased the proportion of gel pore and transitional pore. Additionally, The chloride diffusion coefficient of concrete got the lower value when the appropriate replacement of fly ash in the ranges of 10%-20%, when the double-adding fly ash and slag content was 50%. The porosity increased and the ratio of C/S in C-S-H decreased with further increasing the fly ash content, which led to increase the chloride diffusion coefficient in concrete.
Diffusion Decay Coefficient for Chloride Ions of Concrete Containing Mineral Admixtures
Directory of Open Access Journals (Sweden)
Jae-Im Park
2016-01-01
Full Text Available The diffusion coefficient for chloride ions and the diffusion decay coefficient for chloride ions are essential variables for a service life evaluation of concrete structures. They are influenced by water-binder ratio, exposure condition, curing temperature, cement type, and the type and use of mineral admixture. Mineral admixtures such as ground granulated blast furnace slag, fly ash, and silica fume have been increasingly used to improve resistance against chloride ions penetration in concrete structures built in an offshore environment. However, there is not enough measured data to identify the statistical properties of diffusion decay coefficient for chloride ions in concrete using mineral admixtures. This paper is aimed at evaluating the diffusion decay coefficient for chloride ions of concrete using ordinary Portland cement or blended cement. NT BUILD 492 method, an electrophoresis experiment, was used to measure the diffusion coefficient for chloride ions with ages. It was revealed from the test results that the diffusion decay coefficient for chloride ions was significantly influenced by W/B and the replacement ratio of mineral admixtures.
Energy Technology Data Exchange (ETDEWEB)
Uysal, Fatma, E-mail: afatmauysal@gmail.com [Dokuz Eylül University, Department of Pediatric Radiology, Izmir (Turkey); Çakmakçı, Handan, E-mail: handan.cakmakci@deu.edu.tr [Dokuz Eylül University, Department of Pediatric Radiology, Izmir (Turkey); Yiş, Uluç, E-mail: ulucyis@deu.edu.tr [Dokuz Eylül University, Department of Pediatric Neurology, Izmir (Turkey); Ellidokuz, Hülya, E-mail: hulyaellidokuz@deu.edu.tr [Dokuz Eylül University, Department of Medical Statistics, Izmir (Turkey); Hız, Ayşe Semra, E-mail: aysesemrahiz@deu.edu.tr [Dokuz Eylül University, Department of Pediatric Neurology, Izmir (Turkey)
2014-01-15
Objectives: To reveal the contribution of MRI and diffusion-weighted imaging (DWI) to the diagnosis of mitochondrial encephalopathy (ME) and to evaluate the parenchymal changes associated with this disease in the involved parenchymal areas using the apparent diffusion coefficient (ADC) parameter. Methods: Ten patients who had undergone MRI and DWI analysis with a pre-diagnosis of neurometabolic disease, and who were subsequently diagnosed with ME in laboratory and/or genetic studies, were included in our study. ADC values were compared with a control group composed of 20 patients of similar age with normal brains. Evaluations involved measurements made in 20 different areas determined on the ADC map. The dominance or contribution of ADC coefficient measurements to the conventional sequences was compared with the controls. Results: In the first examination, an increase in both diffusion and ADC values was detected in six cases and diffusion restriction and a decrease in ADC values in three patients. While an increase in both diffusion and ADC values was demonstrated in four cases, there was diffusion restriction and a decrease in ADC values in three cases in the control examinations. Conclusions: DWI provides information that complements conventional MRI sequences in the diagnosis of ME.
Baron, Paul; Dorrius, Monique D.; Kappert, Peter; Oudkerk, Matthijs; Sijens, Paul E.
2010-01-01
The influence of microperfusion and fat suppression technique on the apparent diffusion coefficient (ADC) values obtained with diffusion weighted imaging (DWI) of normal fibroglandular breast tissue was investigated. Seven volunteers (14 breasts) were scanned using diffusion weighting factors (b val
Response of radiation belt simulations to different radial diffusion coefficients models
Drozdov, Alexander; Baker, Daniel N.; Shprits, Yuri; Kellerman, Adam
2016-07-01
Two parameterizations of the resonant wave-particle interactions of electrons with ultra-low frequency waves in the magnetosphere by Brautigam and Albert [2000] and Ozeke et al. [2014] 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.
Impact of post-processing methods on apparent diffusion coefficient values
Energy Technology Data Exchange (ETDEWEB)
Zeilinger, Martin Georg; Lell, Michael; Uder, Michael [University of Erlangen-Nuremberg, Institute of Diagnostic Radiology, Erlangen (Germany); Baltzer, Pascal Andreas Thomas [Medical University Vienna, Department of Radiology and Nuclear Medicine, Vienna (Austria); Doerfler, Arnd; Dietzel, Matthias [University of Erlangen-Nuremberg, Department of Neuroradiology, Erlangen (Germany)
2017-03-15
The apparent diffusion coefficient (ADC) is increasingly used as a quantitative biomarker in oncological imaging. ADC calculation is based on raw diffusion-weighted imaging (DWI) data, and multiple post-processing methods (PPMs) have been proposed for this purpose. We investigated whether PPM has an impact on final ADC values. Sixty-five lesions scanned with a standardized whole-body DWI-protocol at 3 T served as input data (EPI-DWI, b-values: 50, 400 and 800 s/mm{sup 2}). Using exactly the same ROI coordinates, four different PPM (ADC{sub 1}-ADC{sub 4}) were executed to calculate corresponding ADC values, given as [10{sup -3} mm{sup 2}/s] of each lesion. Statistical analysis was performed to intra-individually compare ADC values stratified by PPM (Wilcoxon signed-rank tests: α = 1 %; descriptive statistics; relative difference/∇; coefficient of variation/CV). Stratified by PPM, mean ADCs ranged from 1.136-1.206 *10{sup -3} mm{sup 2}/s (∇ = 7.0 %). Variances between PPM were pronounced in the upper range of ADC values (maximum: 2.540-2.763 10{sup -3} mm{sup 2}/s, ∇ = 8 %). Pairwise comparisons identified significant differences between all PPM (P ≤ 0.003; mean CV = 7.2 %) and reached 0.137 *10{sup -3} mm{sup 2}/s within the 25th-75th percentile. Altering the PPM had a significant impact on the ADC value. This should be considered if ADC values from different post-processing methods are compared in patient studies. (orig.)
Evaluation of diffusion coefficients from composition profiles - the influence of trapping
DEFF Research Database (Denmark)
Christiansen, Thomas; Somers, Marcel A. J.
2006-01-01
The applicability of the Boltzmann-Matano method for evaluation of a diffusion coefficient and its concentration dependency by line profile analysis is tested on three different (model) systems. All systems involve interstitial diffusion. It is shown that the occurrence of trapping corrupts...... the applicability of the Boltzmann-Matano method....
Imel, Adam; Miller, Brad; Holley, Wade; Baskaran, Durairaj; Mays, Jimmy; Dadmun, Mark
2015-03-01
The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and depend intimately on the dispersion of the nanoparticles. We examine the diffusion of soft, organic nanoparticles, which disperse in a polymer matrix due to the interpenetration of polymer chains and particles and the reduction in the depletion of entropy in the system. The impact of the presence of soft nanoparticles on the diffusion coefficient of polystyrene chains has recently been determined with neutron reflectivity. This was completed by monitoring the interdiffusion of deuterated and protonated polystyrene nanocomposite bilayers with and without the soft nanoparticles dispersed throughout both layers and extracting the diffusion coefficient from the one-dimensional solution to Fick's second law of diffusion. In this work, we extend this method to bilayer systems with only the soft nanoparticles as one of the layers and a linear deuterated polystyrene as an adjacent layer. The development of this method allows us to determine the tracer diffusion coefficient of the soft polystyrene nanoparticles for the first time by analyzing the mutual diffusion coefficient from Fick's second law and the fast and slow modes theories for diffusion.
Energy Technology Data Exchange (ETDEWEB)
Mahmoud, Omar M., E-mail: omarmostafa2008@yahoo.co [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Department of Radiology, South Egypt Cancer Institute, Assiut University, Assiut 71515 (Egypt); Tominaga, Atsushi, E-mail: atom@hiroshima-u.ac.j [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Amatya, Vishwa Jeet, E-mail: amatya@hiroshima-u.ac.j [Department of Pathology, Graduate School of Biomedical Sciences, Hiroshima University, Hiroshima 734-8551 (Japan); Ohtaki, Megu, E-mail: ohtaki@hiroshima-u.ac.j [Department of Environmetrics and Biometrics, Research Institute for Radiation Biology and Medicine, Hiroshima University, Hiroshima 734-8551 (Japan); Sugiyama, Kazuhiko, E-mail: brain@hiroshima-u.ac.j [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Saito, Taiichi, E-mail: taiichi@hiroshima-u.ac.j [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Sakoguchi, Tetsuhiko, E-mail: sakog@hiroshima-u.ac.j [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Kinoshita, Yasuyuki, E-mail: d055634@hiroshima-u.ac.j [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Shrestha, Prabin, E-mail: prabinshrestha@hotmail.co [Department of Neurosurgery, Graduate School of Biomedical Science, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Abe, Nobukazu, E-mail: abebe@hiroshima-u.ac.j [Dept. of Clinical Radiology, Graduate School of Biomedical Sciences, Hiroshima Univ., Hiroshima 734-8551 (Japan)
2010-06-15
Objective: To evaluate the role of the apparent diffusion coefficient (ADC) using periodically rotated overlapping parallel lines with enhanced reconstruction (PROPELLER) diffusion weighted imaging (DWI) in the differentiation between sellar and parasellar mass lesions. Materials and methods: The study protocol was approved by our institutional review board. We retrospectively studied 60 patients with sellar and parasellar lesions who had undergone PROPELLER DWI on a 3-T MR imager. Conventional MRI findings were expressed as the ratio of signal intensity (SI) in the lesions to the normal white matter and the degree of contrast enhancement. ADC values were calculated as the minimum (ADC-MIN), mean (ADC-MEAN), and maximum (ADC-MAX). All patients underwent surgery and all specimens were examined histologically. Logistic discriminant analysis was performed by using the SI ratios on T1- and T2-weighted images (T1-WI, T2-WI), the degree of enhancement, and absolute ADC values as independent variables. Results: ADC-MIN of hemorrhagic pituitary adenomas was lower than of the other lesions with similar appearance on conventional MRI (non-hemorrhagic pituitary adenomas, craniopharyngiomas, Rathke's cleft cysts; accuracy 100%); the useful cut-off value was 0.700 x 10{sup -3} mm{sup 2}/s. ADC-MAX of meningiomas was lower than of non-hemorrhagic pituitary adenomas (accuracy 90.3%; p < 0.01). ADC-MIN of craniopharyngiomas was lower than of Rathke's cleft cysts (accuracy 100%; p < 0.05). Conclusion: As PROPELLER DWI is less sensitive to susceptibility artifacts than single-shot echoplanar DWI, it is more useful in the examination of sellar and parasellar lesions. Calculation of the ADC values helps to differentiate between various sellar and parasellar lesions.
Apparent diffusion coefficient and fractional anisotropy of newly diagnosed grade II gliomas†
Khayal, Inas S.; McKnight, Tracy R.; McGue, Colleen; Vandenberg, Scott; Lamborn, Kathleen R.; Chang, Susan M.; Cha, Soonmee; Nelson, Sarah J.
2013-01-01
Distinguishing between low-grade oligodendrogliomas (ODs) and astrocytomas (AC) is of interest for defining prognosis and stratifying patients to specific treatment regimens. The purpose of this study was to determine if the apparent diffusion coefficient (ADC) and fractional anisotropy (FA) from diffusion imaging can help to differentiate between newly diagnosed grade II OD and AC subtypes and to evaluate the ADC and FA values for the mixed population of oligoastrocytomas (OA). Fifty-three patients with newly diagnosed grade II gliomas were studied using a 1.5T whole body scanner (23 ODs, 16 ACs, and 14 OAs). The imaging protocol included post-gadolinium T1-weighted images, T2-weighted images, and either three and/or six directional diffusion imaging sequence with b = 1000 s/mm2. Diffusion-weighted images were analyzed using in-house software to calculate maps of ADC and for six directional acquisitions, FA. The intensity values were normalized by values from normal appearing white matter (NAWM) to generate maps of normalized apparent diffusion coefficient (nADC) and normalized fractional anisotropy (nFA). The hyperintense region in the T2 weighted image was defined as the T2All region. A Mann–Whitney rank-sum test was performed on the 25th, median, and 75th nADC and nFA among the three subtypes. Logistic regression was performed to determine how well the nADC and nFA predict subtype. Lesions diagnosed as being OD had significantly lower nADC and significantly higher nFA, compared to AC. The nADC and nFA values individually classified the data with an accuracy of 87%. Combining the two did not enhance the classification. The patients with OA had nADC and nFA values between those of OD and AC. This suggests that ADC and FA may be helpful in directing tissue sampling to the most appropriate regions for taking biopsies in order to make a definitive diagnosis. PMID:19125391
Horvath, D.; Rappleye, D.; Bagri, P.; Simpson, M. F.
2017-09-01
An electrochemical study of manganese chloride in molten salt mixtures of eutectic LiCl-KCl was carried out using a variety of electrochemical methods in a high temperature cell including cyclic voltammetry (CV), chronopotentiometry (CP), chronoamperometry (CA), and open circuit potentiometry. Single step reduction from Mn2+ to Mn(0) was observed on both W and Mo working electrodes. Using a combination of these methods, measurements were made of activity coefficient and diffusion coefficient for MnCl2 in LiCl-KCl as a function of concentration (3.54 × 10-4 to 3.60 × 10-3 mol fraction of MnCl2) at 773K. From OCP measurements, values for activity coefficient varied from 0.014 to 0.0071. Diffusion coefficients varied with concentration and differed based on measurement method (CV, CA, or CP). Based on cyclic Mn(II) ranged from 1.1 to 2.8 × 10-5 cm2/s depending on concentration.
Institute of Scientific and Technical Information of China (English)
Ahmed Asad; Wu Jiang-Tao
2011-01-01
We use non-equilibrium molecular dynamics simulations to calculate the self-diffusion coefficient,D,of a Lennard Jones fluid over a wide density and temperature range.The change in self-diffusion coefficient with temperature decreases by increasing density.For density p* =pσ3 =0.84 we observe a peak at the value of the self-diffusion coefficient and the critical temperature T* =kT/ε =1.25.The value of the self-diffusion coefficient strongly depends on system size.The data of the self-diffusion coefficient are fitted to a simple analytic relation based on hydrodynamic arguments.This correction scales as N-α,where α is an adjustable parameter and N is the number of particles.It is observed that the values of α ＜ 1 provide quite a good correction to the simulation data.The system size dependence is very strong for lower densities,but it is not as strong for higher densities.The self-diffusion coefficient calculated with non-equilibrium molecular dynamic simulations at different temperatures and densities is in good agreement with other calculations from the literature.
Energy Technology Data Exchange (ETDEWEB)
Cao, Kun, E-mail: kun-cao@hotmail.com [Department of Radiology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China); Gao, Min, E-mail: gaominmin202@163.com [Department of Gynecology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China); Sun, Ying-Shi, E-mail: sunysabc@163.com [Department of Radiology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China); Li, Yan-Ling, E-mail: yanlingli1982@gmail.com [Department of Radiology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China); Sun, Yu, E-mail: sunyu_bch@163.com [Department of Pathology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China); Gao, Yu-Nong, E-mail: gaoyunong@vip.sina.com [Department of Gynecology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China); Zhang, Xiao-Peng, E-mail: zxp@bjcancer.org [Department of Radiology, Key Laboratory of Carcinogenesis and Translational Research (Ministry of Education), Peking University Cancer Hospital and Institute, 52 Fucheng Road, Haidian District, Beijing 100142 (China)
2012-08-15
Objective: To evaluate the relationship between apparent diffusion coefficient (ADC) value and the local invasiveness of endometrial carcinoma. Methods and materials: The MR imaging of seventy-three patients with endometrial carcinoma proved by post-operative pathology and sixty-four patients with healthy uteri were retrospectively reviewed. All MR examinations included axial T2WI and T1WI, sagittal T2WI and diffusion-weighted sequences (b = 0 and b = 1000 s/mm{sup 2}). Tumor size, mean ADC value (ADCm) and quartile ADC (ADCq) were acquired on post-processing workstation using voxel-analysis software. Differences between the ADC values among three layers of normal uterine body and endometrial carcinomas were compared by ANOVA test. Groups were divided according to pathologic type, histologic grade, depth of myometrial infiltration, presence of cervical invasion and lymphovascular space invasion, and lymph node metastasis. Tumor size and ADC values were compared and analyzed. Results: ADC values were different in three zones of uterine body (P < 0.001), with the lowest in junctional zone [(1.126 {+-} 0.190) Multiplication-Sign 10{sup -3} mm{sup 2}/s] and highest in outer myometrium [(1.496 {+-} 0.196) Multiplication-Sign 10{sup -3} mm{sup 2}/s]. Mean ADC value of endometrial carcinomas [(1.011 {+-} 0.121) Multiplication-Sign 10{sup -3} mm{sup 2}/s] was lower than the normal uterine body. Quartile ADC and tumor size were greater in groups with more invasive pathologic factors (P < 0.05). Deep myometrial infiltration, cervical invasion, lymphovascular space invasion and lymph node metastasis were more common as quartile ADC values and tumor sizes increased. Conclusion: Mean ADC value was lower in endometrial carcinoma was lower than the normal uterus. Quartile ADC, representing the intra-tumor heterogeneity of water movement, had a profound relationship with invasiveness of endometrial carcinomas, while mean ADC value did not. ADC values may serve as a quantitative
Liu, Xin; Schnell, Sondre K; Simon, Jean-Marc; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J H
2011-11-10
A methodology for computing Fick diffusivities directly from equilibrium molecular dynamics (MD) simulations is presented and validated for acetone-methanol and acetone-tetrachloromethane liquid mixtures. Fick diffusivities are obtained from Maxwell-Stefan (MS) diffusivities and the so-called thermodynamic factor. MS diffusivities describe the friction between different components, while the thermodynamic factor is the concentration derivative of the activity describing the deviation from ideal mixing behavior. It is important to note that all mutual diffusion experiments measure Fick diffusion coefficients, while molecular simulation provides MS diffusivities. The required thermodynamic factor to convert MS into Fick diffusivities and vice versa, however, is usually difficult to extract from both simulations and experiments leaving a gap between theory and application. Here, we employ our novel method to compute the thermodynamic factor from small-scale density fluctuations in equilibrium MD simulations [Chem. Phys. Lett.2011, 504, 199-201]. Previously, this method was developed and validated for molecules with single interaction sites only. In this work, we applied this method to acetone-methanol and acetone-tetrachloromethane liquid mixtures and show that the method also works well in these more complex systems. This provides the missing step to extract Fick diffusion coefficients directly from equilibrium MD simulations. The computed Fick diffusivities of acetone-methanol and acetone-tetrachloromethane mixtures are in excellent agreement with experimental values. The suggested framework thus provides an efficient route to model diffusion in liquids on the basis of a consistent molecular picture.
Measurement of the Ar diffusion coefficient in graphite at high temperature by the ISOL method
Energy Technology Data Exchange (ETDEWEB)
Eleon, C. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France); Jardin, P. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France)], E-mail: Jardin@ganil.fr; Thomas, J.C.; Saint-Laurent, M.-G.; Huet-Equilbec, C.; Alves Conde, R. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France); Angelique, J.C. [Laboratoire de Physique Subatomique et de Cosmologie, 38026 Grenoble (France); Laboratoire de Physique Corpusculaire, ISMRA, 14050 Caen (France); Boilley, D.; Cornell, J.; Dubois, M. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France); Franberg, H. [Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); ISOLDE, CERN, 1211 Geneve 23 (Switzerland); Gaubert, G.; Jacquot, B. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France); Koester, U. [ISOLDE, CERN, 1211 Geneve 23 (Switzerland); Institut Laue Langevin, 38042 Grenoble (France); Leroy, R. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France); Maunoury, L. [Centre Interdisciplinaire de Recherche Ion Laser, 14070 Caen (France); Orr, N. [Laboratoire de Physique Corpusculaire, ISMRA, 14050 Caen (France); Pacquet, J.Y.; Pellemoine, F.; Stodel, C. [Grand Accelerateur National d' Ions Lourds, CEA/DSM CNRS/IN2P3, 14076 Caen (France)] (and others)
2008-10-15
This work has been carried out at GANIL within the ambit of the TARGISOL European collaboration which aims to study the relevant variables governing the release of radioactive elements from targets in an ISOL system. This work shows how it has been possible to extract diffusion coefficients for {sup 35}Ar atoms diffusing out of graphite targets from release time measurements by using an analytic description of the release times. The diffusion coefficients and efficiencies are presented and compared with results obtained using a 'continuous' method.
Yang, Kok Kee; Mahmoudian, M. R.; Ebadi, Mehdi; Koay, Hun Lee; Basirun, Wan Jeffrey
2011-12-01
Voltammetry and chronoamperometry for the electrodeposition of tin from Tin(II) methane sulfonate mixed with ionic liquid and methane sulfonate acid at room temperature was studied. Cyclic voltammetry shows redox waves of Tin(II), which proves that the electrodeposition of tin from Tin(II) methane sulfonate is a diffusion-controlled process. The diffusion coefficient of Tin(II) ions in the solvent mixture showed good agreement from both voltammetry and chronoamperometry results. The diffusion coefficient of Tin(II) in the mixture was much smaller than in aqueous solution, and it depends on the anion of the ionic liquid.
Energy Technology Data Exchange (ETDEWEB)
Maes, N.; Moors, H.; De Canniere, P.; Aertsens, M.; Put, M.
1997-03-01
Classical diffusion experiments for strongly retarded radionuclides take a very long time. The migration can be accelerated considerably by applying an electrical field across a saturated porous medium (electromigration). Under the influence of the electric field, the ions will attain a constant velocity which is related to the diffusion coefficient by the law of Einstein (V=zeED/KT). The displacement of the concentration profile is a direct measure for the diffusion coefficient. A description of the problems of pH-disturbances, electro-osmosis and dispersion is given and an the feasibility of the electromigration method is evaluated.
Hall, Eric
2016-01-09
The Monte Carlo (and Multi-level Monte Carlo) finite element method can be used to approximate observables of solutions to diffusion equations with lognormal distributed diffusion coefficients, e.g. modeling ground water flow. Typical models use lognormal diffusion coefficients with H´ older regularity of order up to 1/2 a.s. This low regularity implies that the high frequency finite element approximation error (i.e. the error from frequencies larger than the mesh frequency) is not negligible and can be larger than the computable low frequency error. We address how the total error can be estimated by the computable error.
Sandberg, Mattias
2015-01-07
The Monte Carlo (and Multi-level Monte Carlo) finite element method can be used to approximate observables of solutions to diffusion equations with log normal distributed diffusion coefficients, e.g. modelling ground water flow. Typical models use log normal diffusion coefficients with H¨older regularity of order up to 1/2 a.s. This low regularity implies that the high frequency finite element approximation error (i.e. the error from frequencies larger than the mesh frequency) is not negligible and can be larger than the computable low frequency error. This talk will address how the total error can be estimated by the computable error.
Effective diffusion coefficient of biological liquids in porous calcium phosphate coatings
Nazarenko, N. N.; Knyazeva, A. G.
2016-11-01
The study offers a method to estimate effective diffusion coefficients for transfer of biological liquids in porous materials. The method is based on the analysis of areas occupied by pores and solid materials on slice images. The possibility is shown for ascertaining a correlation between the effective coefficient and technological conditions because different structure and porosity are observed experimentally. The correlations of effective diffusion coefficients with the production voltage for different coating-base compositions, on which the coating was grown, have been built.
Variational calculations of dispersion coefficients for interactions between H, He, and Li atoms
Yan, Z C; Dalgarno, A; Drake, G W F; Yan, Zong Chao; Babb, James F
1996-01-01
The dispersion coefficients C_6, C_8, and C_{10} for the interactions between H, He, and Li are calculated using variational wave functions in Hylleraas basis sets with multiple exponential scale factors. With these highly correlated wave functions, significant improvements are made upon previous calculations and our results provide definitive values for these coefficients.
CALCULATIONS OF DOUBLE IMPURITY DIFFUSION IN INTEGRATED CIRCUIT PRODUCTION
Directory of Open Access Journals (Sweden)
V. A. Bondarev
2005-01-01
Full Text Available Analytical formulae for calculating simultaneous diffusion of two impurities in silicon are presented. The formulae are based on analytical solutions of diffusion equations that have been obtained for the first time by the author while using some special mathematical functions. In contrast to usual formal mathematical approaches, new functions are determined in the process of investigation of real physical models. Algorithms involve some important relations from thermodynamics of irreversible processes and also variational thermodynamic functionals that were previously obtained by the author for transfer processes. Calculations considerably reduce the time required for development of new integrated circuits.
Energy Technology Data Exchange (ETDEWEB)
Perfetti, Christopher M [ORNL; Martin, William R [University of Michigan; Rearden, Bradley T [ORNL; Williams, Mark L [ORNL
2012-01-01
Three methods for calculating continuous-energy eigenvalue sensitivity coefficients were developed and implemented into the SHIFT Monte Carlo code within the Scale code package. The methods were used for several simple test problems and were evaluated in terms of speed, accuracy, efficiency, and memory requirements. A promising new method for calculating eigenvalue sensitivity coefficients, known as the CLUTCH method, was developed and produced accurate sensitivity coefficients with figures of merit that were several orders of magnitude larger than those from existing methods.
Calculating the Refrigeration Coefficient by Using the Second Law of Thermodynamics
Institute of Scientific and Technical Information of China (English)
YANG Hong-hai; YIN Shi-yong
2007-01-01
Refrigeration coefficient, ε, is usually calculatedby using the First Law of Thermodynamics. In this paper, anew derivation process is introduced through the combinationof the Second Law of Thermodynamics with the First Law of Thermodynamics. As a result, two new calculationequations for refrigeration coefficient are proposed. Oneequation is equivalent to the common method, but its form isa little complicated for real calculation. Another equation is the further simplification, and can be used to calculate therefrigeration coefficient instead of common method with apermit error.
Criticality coefficient calculation for a small PWR using Monte Carlo Transport Code
Energy Technology Data Exchange (ETDEWEB)
Trombetta, Debora M.; Su, Jian, E-mail: dtrombetta@nuclear.ufrj.br, E-mail: sujian@nuclear.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil); Chirayath, Sunil S., E-mail: sunilsc@tamu.edu [Department of Nuclear Engineering and Nuclear Security Science and Policy Institute, Texas A and M University, TX (United States)
2015-07-01
Computational models of reactors are increasingly used to predict nuclear reactor physics parameters responsible for reactivity changes which could lead to accidents and losses. In this work, preliminary results for criticality coefficient calculation using the Monte Carlo transport code MCNPX were presented for a small PWR. The computational modeling developed consists of the core with fuel elements, radial reflectors, and control rods inside a pressure vessel. Three different geometries were simulated, a single fuel pin, a fuel assembly and the core, with the aim to compare the criticality coefficients among themselves.The criticality coefficients calculated were: Doppler Temperature Coefficient, Coolant Temperature Coefficient, Coolant Void Coefficient, Power Coefficient, and Control Rod Worth. The coefficient values calculated by the MCNP code were compared with literature results, showing good agreement with reference data, which validate the computational model developed and allow it to be used to perform more complex studies. Criticality Coefficient values for the three simulations done had little discrepancy for almost all coefficients investigated, the only exception was the Power Coefficient. Preliminary results presented show that simple modelling as a fuel assembly can describe changes at almost all the criticality coefficients, avoiding the need of a complex core simulation. (author)
Lee, Jungpyo; Wright, John; Bertelli, Nicola; Jaeger, Erwin F.; Valeo, Ernest; Harvey, Robert; Bonoli, Paul
2017-05-01
In this paper, a reduced model of quasilinear velocity diffusion by a small Larmor radius approximation is derived to couple the Maxwell's equations and the Fokker Planck equation self-consistently for the ion cyclotron range of frequency waves in a tokamak. The reduced model ensures the important properties of the full model by Kennel-Engelmann diffusion, such as diffusion directions, wave polarizations, and H-theorem. The kinetic energy change ( W ˙ ) is used to derive the reduced model diffusion coefficients for the fundamental damping (n = 1) and the second harmonic damping (n = 2) to the lowest order of the finite Larmor radius expansion. The quasilinear diffusion coefficients are implemented in a coupled code (TORIC-CQL3D) with the equivalent reduced model of the dielectric tensor. We also present the simulations of the ITER minority heating scenario, in which the reduced model is verified within the allowable errors from the full model results.
Chen, Lihua; Liu, Min; Bao, Jing; Xia, Yunbao; Zhang, Jiuquan; Zhang, Lin; Huang, Xuequan; Wang, Jian
2013-01-01
To perform a meta-analysis exploring the correlation between the apparent diffusion coefficient (ADC) and tumor cellularity in patients. 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. 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 (Pcorrelation between the ADC and cellularity for brain tumors. There was no notable evidence of publication bias. 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.
Correlation of apparent diffusion coefficient with Ki-67 proliferation index in grading meningioma.
Tang, Yi; Dundamadappa, Sathish K; Thangasamy, Senthur; Flood, Thomas; Moser, Richard; Smith, Thomas; Cauley, Keith; Takhtani, Deepak
2014-06-01
A noninvasive method to predict aggressiveness of high-grade meningiomas would be desirable because it would help anticipate tumor recurrence and improve tumor management and the treatment outcomes. The Ki-67 protein is a marker of tumor proliferation, and apparent diffusion coefficient (ADC) is related to tumor cellularity. Therefore, we sought to determine whether there is a statistically significant correlation between ADC and Ki-67 values in meningiomas and whether ADC values can differentiate various meningioma subtypes. MRI examinations and histopathology of 68 surgically treated meningiomas were retrospectively reviewed. Mean ADC values were derived from diffusion imaging. Correlation coefficients were calculated for mean ADC and Ki-67 proliferation index values using linear regression. An independent unpaired Student t test was used to compare the ADC and Ki-67 proliferation index values from low-grade and more aggressive meningiomas. A statistically significant inverse correlation was found between ADC and Ki-67 proliferation index for low-grade and aggressive meningiomas (r(2) = -0.33, p = 0.0039). ADC values (± SD) of low-grade meningiomas (0.84 ± 0.14 × 10(-3) mm(2)/s) and aggressive (atypical or anaplastic) meningiomas (0.75 ± 0.03 × 10(-3) mm(2)/s) were significantly different (p = 0.0495). Using an ADC cutoff value of 0.70 × 10(-3) mm(2)/s, the sensitivity for diagnosing aggressive meningiomas was 29%, specificity was 94%, positive predictive value was 67%, and negative predictive value was 75%. ADC values correlate inversely with Ki-67 proliferation index and help differentiate low-grade from aggressive meningiomas.
Kishimoto, Keiko; Tajima, Shinya; Maeda, Ichiro; Takagi, Masayuki; Ueno, Takahiko; Suzuki, Nao; Nakajima, Yasuo
2016-08-01
Diffusion-weighted imaging (DWI) and the apparent diffusion coefficient (ADC) are widely used for detecting uterine endometrial cancer. The relationships between ADC values and pathological features of endometrial cancer have not yet been established. To investigate whether ADC values of endometrial cancer vary according to histologic tumor cellularity and tumor grade. We retrospectively reviewed 30 pathologically confirmed endometrial cancers. All patients underwent conventional non-enhanced magnetic resonance imaging (MRI) and DWI procedures, and ADC values were calculated. Tumor cellularity was evaluated by counting cancer cells in three high-power ( × 400) fields. The correlation between ADC values and tumor cellularity was assessed using Pearson's correlation coefficient test for statistical analysis. The mean ± standard deviation (SD) ADC value ( ×10(-3) mm(2)/s) of endometrial cancer was 0.85 ± 0.22 (range, 0.55-1.71). The mean ± SD tumor cellularity was 528.36 ± 16.89 (range, 298.0-763.6). ADC values were significantly inversely correlated with tumor cellularity. No significant relationship was observed between ADC values and tumor grade (mean ADC values: G1, 0.88 ± 0.265 × 10(-3) mm(2)/s; G2, 0.80 ± 0.178 × 10(-3) mm(2)/s; G3, 0.81 ± 0.117 × 10(-3) mm(2)/s). There is a significant inverse relationship between ADC values and tumor cellularity in endometrial cancer. No significant differences in average ADC value were observed between G1, G2, and G3 tumors. However, the lower the tumor grade, the wider the SD. © The Foundation Acta Radiologica 2015.
Sublimation kinetics and diffusion coefficients of TNT, PETN, and RDX in air by thermogravimetry.
Hikal, Walid M; Weeks, Brandon L
2014-07-01
The diffusion coefficients of explosives are crucial in their trace detection and lifetime estimation. We report on the experimental values of diffusion coefficients of three of the most important explosives in both military and industry: TNT, PETN, and RDX. Thermogravimetric analysis (TGA) was used to determine the sublimation rates of TNT, PETN, and RDX powders in the form of cylindrical billets. The TGA was calibrated using ferrocene as a standard material of well-characterized sublimation rates and vapor pressures to determine the vapor pressures of TNT, PETN, and RDX. The determined sublimation rates and vapor pressures were used to indirectly determine the diffusion coefficients of TNT, PETN, and RDX for the first time. A linear log-log dependence of the diffusion coefficients on temperature is observed for the three materials. The diffusion coefficients of TNT, PETN, and RDX at 273 K were determined to be 5.76×10(-6)m(2)/sec, 4.94×10(-6)m(2)/s, and 5.89×10(-6)m(2)/s, respectively. Values are in excellent agreement with the theoretical values in literature. Copyright © 2014 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Bilgili, Mirace Yasemin Karadeniz, E-mail: mykaradeniz@hotmail.com [Kırıkkale University Medicine Faculty, Department of Radiology, Sevil sok. 16/3 06590 Cebeci/Ankara (Turkey)
2012-09-15
Purpose: To test the reproducibility of apparent diffusion coefficients (ADC) measurements of the normal liver, kidney and spleen parenchyma with different b values. Materials and methods: Eleven healthy volunteers were imaged twice with use of the same protocol. Each DWI was performed with b-factors of 0, 100 and 500 s/mm{sup 2}. The ADCs were organized according to session (1 or 2), anatomic location and repetition (twice with two different b value per session). The ADC data were analyzed with repeated-measures analysis of variance to demonstrate the influence of anatomic location, session and different b values. The coefficient of variation was calculated for each subject, b value and anatomic location, then analyzed by using repeated-measures analysis of variance. Results: There were significant differences in mean ADCs among the three anatomic locations and with different b values (P < .05). There were no significant differences in ADCs between imaging sessions 1 or 2 for both b values (P > .05). The CV values range between 7.3% and 14.7%. There were no significant differences in CV values neither between the two b values nor for the various organ locations (P > .05). Conclusion: Using the same technical parameters, patients and the same observer, CV values range between 7.3% and 14.7%. And we recommend to be careful in examination and comparison of the measured ADC values, below these limits, without knowledge technical parameters that has been used, otherwise differences that are merely because of changes in the measurement technique could be interpreted as differences because of progression of disease or therapy.
Perpendicular Diffusion Coefficient of Comic Rays: The Presence of Weak Adiabatic Focusing
Wang, J. F.; Qin, G.; Ma, Q. M.; Song, T.; Yuan, S. B.
2017-08-01
The influence of adiabatic focusing on particle diffusion is an important topic in astrophysics and plasma physics. In the past, several authors have explored the influence of along-field adiabatic focusing on the parallel diffusion of charged energetic particles. In this paper, using the unified nonlinear transport theory developed by Shalchi and the method of He and Schlickeiser, we derive a new nonlinear perpendicular diffusion coefficient for a non-uniform background magnetic field. This formula demonstrates that the particle perpendicular diffusion coefficient is modified by along-field adiabatic focusing. For isotropic pitch-angle scattering and the weak adiabatic focusing limit, the derived perpendicular diffusion coefficient is independent of the sign of adiabatic focusing characteristic length. For the two-component model, we simplify the perpendicular diffusion coefficient up to the second order of the power series of the adiabatic focusing characteristic quantity. We find that the first-order modifying factor is equal to zero and that the sign of the second order is determined by the energy of the particles.
Akimoto, Takuma; Yamamoto, Eiji
2016-12-01
Local diffusion coefficients in disordered systems such as spin glass systems and living cells are highly heterogeneous and may change over time. Such a time-dependent and spatially heterogeneous environment results in irreproducibility of single-particle-tracking measurements. Irreproducibility of time-averaged observables has been theoretically studied in the context of weak ergodicity breaking in stochastic processes. Here, we provide rigorous descriptions of equilibrium and non-equilibrium diffusion processes for the annealed transit time model, which is a heterogeneous diffusion model in living cells. We give analytical solutions for the mean square displacement (MSD) and the relative standard deviation of the time-averaged MSD for equilibrium and non-equilibrium situations. We find that the time-averaged MSD grows linearly with time and that the time-averaged diffusion coefficients are intrinsically random (irreproducible) even in the long-time measurements in non-equilibrium situations. Furthermore, the distribution of the time-averaged diffusion coefficients converges to a universal distribution in the sense that it does not depend on initial conditions. Our findings pave the way for a theoretical understanding of distributional behavior of the time-averaged diffusion coefficients in disordered systems.
Estimation of radon diffusion coefficients in soil using an updated experimental system.
Prasad, Ganesh; Ishikawa, Tetsuo; Hosoda, Masahiro; Sorimachi, Atsuyuki; Janik, Miroslaw; Sahoo, Sarata Kumar; Tokonami, Shinji; Uchida, Shigeo
2012-09-01
Radon diffusion through soil is strongly affected by the degree of water saturation of the soil pores. Methods have been developed by many researchers to measure radon diffusion coefficient. We developed an updated experimental system to estimate radon diffusion coefficients for typical types of soil in Japan and applied it to a typical loam with different water saturation levels (0-0.82). The system consists of a passive-type scintillation cell, soil column, accumulation tank, and radon source. The radon concentration in the accumulation tank is kept stable, and radon diffused through the soil column is continuously measured with the passive-type scintillation cell. We found the radon diffusion coefficients vary from 9.60 × 10(-6) m(2) s(-1) to 1.27 × 10(-7) m(2) s(-1) for the loam samples. Generally, the diffusion coefficients are almost constant for a water saturation range of 0-0.4 and decrease with increasing water saturation from 0.4 to 0.82.
Apparent diffusion coefficient values of normal testis and variations with age
Directory of Open Access Journals (Sweden)
Athina C Tsili
2014-06-01
Full Text Available 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 mm 2 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.
Energy Technology Data Exchange (ETDEWEB)
Tsili, A.C., E-mail: a_tsili@yahoo.gr [Department of Clinical Radiology, University Hospital of Ioannina (Greece); Argyropoulou, M.I., E-mail: margyrop@cc.uoi.gr [Department of Clinical Radiology, University Hospital of Ioannina (Greece); Tzarouchi, L., E-mail: ltzar@cc.uoi.gr [Department of Clinical Radiology, University Hospital of Ioannina (Greece); Dalkalitsis, N., E-mail: ndalkal@cc.uoi.gr [Department of Obstetrics and Gynaecology, University Hospital of Ioannina (Greece); Koliopoulos, G., E-mail: georgekoliopoulos@yahoo.com [Department of Obstetrics and Gynaecology, University Hospital of Ioannina (Greece); Paraskevaidis, E., E-mail: eparaske@cc.uoi.gr [Department of Obstetrics and Gynaecology, University Hospital of Ioannina (Greece); Tsampoulas, K., E-mail: ctsampou@uoi.gr [Department of Clinical Radiology, University Hospital of Ioannina (Greece)
2012-08-15
Objectives: To assess the apparent diffusion coefficient (ADC) changes of the normal uterine zones among reproductive women during the menstrual cycle. Methods: The study included 101 women of reproductive age, each with regular cycle and normal endometrium/myometrium, as proved on histopathology or MR imaging examination. Diffusion-weighted (DW) imaging was performed along the axial plane, using a single shot, multi-slice spin-echo planar diffusion pulse sequence and b-values of 0 and 800 s/mm{sup 2}. The mean and standard deviation of the ADC values of normal endometrium/myometrium were calculated for menstrual, proliferative and secretory phase. Analysis of variance followed by the least significant difference test was used for statistical analysis. Results: The ADC values of the endometrium were different in the three phases of the menstrual cycle (menstrual phase: 1.25 {+-} 0.27; proliferative phase: 1.39 {+-} 0.20; secretory phase: 1.50 {+-} 0.18) (F: 9.64, p: 0.00). Statistical significant difference was observed among all groups (p < 0.05). The ADC values of the normal myometrium were different in the three phases of the menstrual cycle (menstrual phase: 1.91 {+-} 0.35; proliferative phase: 1.72 {+-} 0.27; secretory phase: 1.87 {+-} 0.28) (F: 3.60, p: 0.03). Statistical significant difference was observed between menstrual and proliferative phase and between proliferative and secretory phase (p < 0.05). No significant difference was noted between menstrual and secretory phase (p > 0.05). Conclusions: A wide variation of ADC values of normal endometrium and myometrium is observed during different phases of the menstrual cycle.
Cao, Ning; Liang, Xuwei; Zhuang, Qi; Zhang, Jun
2009-02-01
Magnetic Resonance Imaging (MRI) techniques have achieved much importance in providing visual and quantitative information of human body. Diffusion MRI is the only non-invasive tool to obtain information of the neural fiber networks of the human brain. The traditional Diffusion Tensor Imaging (DTI) is only capable of characterizing Gaussian diffusion. High Angular Resolution Diffusion Imaging (HARDI) extends its ability to model more complex diffusion processes. Spherical harmonic series truncated to a certain degree is used in recent studies to describe the measured non-Gaussian Apparent Diffusion Coefficient (ADC) profile. In this study, we use the sampling theorem on band-limited spherical harmonics to choose a suitable degree to truncate the spherical harmonic series in the sense of Signal-to-Noise Ratio (SNR), and use Monte Carlo integration to compute the spherical harmonic transform of human brain data obtained from icosahedral schema.
Directory of Open Access Journals (Sweden)
Aleš Mráček
2010-02-01
Full Text Available The amorphous polymer film swelling in a liquid solvent below the glass transition temperature was characterized by a few kinetic parameters (especially the mutual diffusion coefficient of swelling and its mean value obtained by interference of monochromatic light in the wedge arrangement. This interferometric method allows one to determine the concentration field in the swollen surface layer and consequently to compute the concentration-dependent diffusion coefficient. A software system developed at the Department of Physics and Material Engineering at TBU in Zlin has been used for the evaluation of the main kinetic parameters of the swelling process. The software can be used for the on-line analyses of interferograms during the swelling process. The main application outputs are the computation of the concentration profile, the concentration gradient, the mutual diffusion coefficient of the swelling by the solvent and its mean value.
Numerical study of the Transverse Diffusion coefficient for a one component model of a plasma
Valvo, Lorenzo
2016-01-01
We report the results of MD numerical simulations for a one component model of a plasma in the weakly coupled regime, at different values of temperature $T$ and applied magnetic field $\\vec B$, in which the diffusion coefficient $D_{\\perp}$ transverse to the field is estimated. We find that there exists a threshold in temperature, at which an inversion occurs, namely, for $T$ above the threshold the diffusion coefficient $D_{\\perp}$ starts decreasing as $T$ increases. This is at variance with the behavior predicted by the Bohm law $D_{\\perp}\\sim T/B$, which actually holds below the threshold. In addition we find that, for temperatures above such a threshold, another transition occurs, now with respect to the values of the magnetic field: for weak magnetic fields the diffusion coefficients scales as $1/B^2$, in agreement with the predictions of the standard kinetics theory, while it apparently saturates when the field strength is sufficiently increased.
Koral, Korgün; Mathis, Derek; Gimi, Barjor; Gargan, Lynn; Weprin, Bradley; Bowers, Daniel C; Margraf, Linda
2013-08-01
To test whether there is correlation between cell densities and apparent diffusion coefficient (ADC) metrics of common pediatric cerebellar tumors. This study was reviewed for issues of patient safety and confidentiality and was approved by the Institutional Review Board of the University of Texas Southwestern Medical Center and was compliant with HIPAA. The need for informed consent was waived. Ninety-five patients who had preoperative magnetic resonance imaging and surgical pathologic findings available between January 2003 and June 2011 were included. There were 37 pilocytic astrocytomas, 34 medulloblastomas (23 classic, eight desmoplastic-nodular, two large cell, one anaplastic), 17 ependymomas (13 World Health Organization [WHO] grade II, four WHO grade III), and seven atypical teratoid rhabdoid tumors. ADCs of solid tumor components and normal cerebellum were measured. Tumor-to-normal brain ADC ratios (hereafter, ADC ratio) were calculated. The medulloblastomas and ependymomas were subcategorized according to the latest WHO classification, and tumor cellularity was calculated. Correlation was sought between cell densities and mean tumor ADCs, minimum tumor ADCs, and ADC ratio. When all tumors were considered together, negative correlation was found between cellularity and mean tumor ADCs (ρ = -0.737, P correlation between cellularity and ADC ratio. Negative correlation was found between cellularity and minimum tumor ADC in atypical teratoid rhabdoid tumors (ρ = -0.786, P correlation was found between cellularity and mean tumor ADC and ADC ratio. There was no correlation between the ADC metrics and cellularity of the pilocytic astrocytomas, medulloblastomas, and ependymomas. Negative correlation was found between cellularity and ADC metrics of common pediatric cerebellar tumors. Although ADC metrics are useful in the preoperative diagnosis of common pediatric cerebellar tumors and this utility is generally attributed to differences in cellularity of tumors
Dependence of ion drift velocity and diffusion coefficient in parent gas on its temperature
Maiorov, Sergey; Golyatina, Rusudan
2016-09-01
The results of Monte Carlo calculations of the ion drift characteristics are presented: ions of noble gases and Ti, Fe, Co, Cs, Rb, W and mercury ions in case of constant and uniform electric field are considered. The dependences of the ion mobility on the field strength and gas temperature are analyzed. The parameters of the drift velocity approximation by the Frost formula for gas temperatures of 4.2, 77, 300, 1000, and 2000 K are presented. A universal drift velocity approximation depending on the reduced electric field strength and gas temperature is obtained. In the case of strong electric fields or low gas temperatures, the deviation of the ion distribution function from the Maxwellian one (including the shifted Maxwellian one) can be very significant. The average energies of chaotic motion of ions along and across the electric field can also differ significantly. It is analyzed the kinetic characteristics of ion drift in own gas: ion diffusion coefficient along the field and across the field; thermal spread of velocities (temperature) along the field and across the field. The unexpected and nontrivial fact takes place: collision with backscattering represent only 10-50% of the total number of collisions. This calculation can be used when analyzing experiments with dusty plasma under cryogenic discharge, ultracold plasma. The work was supported by the Russian Science Foundation (grant RNF 14-19-01492).
Hosoya, Osamu; Chono, Sumio; Saso, Yuko; Juni, Kazuhiko; Morimoto, Kazuhiro; Seki, Toshinobu
2004-12-01
The diffusion coefficient (D) of peptide and protein drugs needs to be determined to examine the permeability through biological barriers and to optimize delivery systems. In this study, the D values of fluorescein isothiocyanate (FITC)-labelled dextrans (FDs) and peptides were determined and the permeability through a porous membrane was discussed. The observed D values of FDs and peptides, except in the case of insulin, were similar to those calculated based on a relationship previously reported between the molecular weight and D of lower-molecular-weight compounds, although the molecular weight range was completely different. The observed D value of insulin was between the calculated values for the insulin monomer and hexamer. The permeability of poly-lysine and insulin through the membrane was determined and the observed values were compared with predicted values by using the relationship between molecular weight and D and an equation based on the Renkin function. The observed permeability of insulin through the membrane was between that of the predicted permeability for the insulin monomer and hexamer. For the permeation of insulin, the determination of D was useful for estimating the permeability because of the irregular relationship between molecular weight and D. The methodology used in this study will be useful for a more quantitative evaluation of the absorption of peptide and protein drugs applied to mucous membranes.
A comparative study on temperature dependent diffusion coefficient of liquid Fe
Energy Technology Data Exchange (ETDEWEB)
Gosh, R.C., E-mail: ratan31@gmail.com [Department of Physics, University of Dhaka, Dhaka 1000 (Bangladesh); Syed, Ishtiaque M.; Amin, Zahurul [Department of Physics, University of Dhaka, Dhaka 1000 (Bangladesh); Bhuiyan, G.M. [Theoretical Physics Department, University of Dhaka, Dhaka 1000 (Bangladesh)
2013-10-01
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, σ(T), and excess entropy, S{sub ex}, 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.
A comparative study on temperature dependent diffusion coefficient of liquid Fe
Gosh, R. C.; Syed, Ishtiaque M.; Amin, Zahurul; Bhuiyan, G. M.
2013-10-01
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, σ(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.
The apparent diffusion coefficient of water in gray and white matter of the infant brain
DEFF Research Database (Denmark)
Toft, P B; Leth, H; Peitersen, Birgit;
1996-01-01
PURPOSE: The purpose was to obtain normal values of the apparent diffusion coefficient (ADC) in the infant brain and to compare ADC maps with T1- and T2-weighted images. METHOD: Diffusion was measured in nine infants with an ECG-gated SE sequence compensated for first-order motion. One axial slic...... of the ADC increased with age and approached 1 at the age of 30 weeks. CONCLUSION: ADC maps add information to the T1 and T2 images about the size and course of unmyelinated as well as myelinated tracts in the immature brain.......PURPOSE: The purpose was to obtain normal values of the apparent diffusion coefficient (ADC) in the infant brain and to compare ADC maps with T1- and T2-weighted images. METHOD: Diffusion was measured in nine infants with an ECG-gated SE sequence compensated for first-order motion. One axial slice...
Tanaka, Hiroaki; Takahashi, Sachiko; Yamanaka, Mari; Yoshizaki, Izumi; Sato, Masaru; Sano, Satoshi; Motohara, Moritoshi; Kobayashi, Tomoyuki; Yoshitomi, Susumu; Tanaka, Tetsuo; Fukuyama, Seijiro
2006-09-01
The diffusion coefficients of lysozyme and alpha-amylase were measured in the various polyethylene glycol (PEG) solutions. Obtained diffusion coefficients were studied with the viscosity coefficient of the solution. It was found that the diffusion process of the protein was suppressed with a factor of vγ, where ν is a relative viscosity coefficient of the PEG solution. The value of γ is -0.64 at PEG1500 for both proteins. The value increased to -0.48 at PEG8000 for lysozyme, while decreased to -0.72 for alpha-amylase. The equation of an approximate diffusion coefficient at certain PEG molecular weight and concentration was roughly obtained.
Paul, Reginald; Paddison, Stephen J
2005-12-08
Proton transport in perfluorosulfonic acid (PFSA) membranes is investigated through a statistical mechanical model that includes the effects of the interaction of the tethered sulfonate groups with both the water and solvated protons. We first derive a potential that describes the electrostatic field due to the dissociated sulfonic acid groups by extending the work of Gronbech-Jensen et al. [ Mol. Phys. 92, 941 (1997)] to a finite array of point charges. A highly convergent series is obtained which includes the effects of screening due to the protons. We then investigate the effects of both dielectric saturation and two distinct formulations of ionic screening on the proton self-diffusion coefficient in Nafion membranes over a range of water contents. Our computations show that the two phenomena (i.e., dielectric saturation and ionic screening) under constant temperature conditions result in canceling affects. Our calculations provide a radial dependence of the proton mobility suggesting that the dominant self-diffusion occurs in the central region of the pores, well separated from the sulfonate groups. Through comparison of our calculated diffusion coefficients with the experimental values we derived a slightly smaller average separation distance of the hydronium ion from the sulfonate ions than suggested by either electronic structure calculations or multistate empirical valence bond molecular-dynamics simulations.
Paduszyński, Kamil; Domańska, Urszula
2011-06-30
This paper is a continuation of our systematic investigations on piperidinium ionic liquids and presents new data on activity coefficients at infinite dilution for 43 solutes: linear and branched alkanes, cycloalkanes, alkenes, alkynes, benzene, alkylbenzenes, alcohols, water, thiophene, tetrahyrdofuran (THF), methyl tert-butyl ether (MTBE), linear ethers, acetone, and linear ketones in the ionic liquid 1-butyl-1-methyl-piperidinium bis(trifluoromethylsulfonyl)imide, [BMPIP][NTf2]. The data were determined by gas-liquid chromatography (GLC) at temperatures from 308.15 to 358.15 K. These values were compared to those previously published for the bis-(trifluoromethylsulfonyl)imide-based ionic liquids. The partial molar excess enthalpies ΔH1(E,∞) and entropies ΔS1(E,∞) at infinite dilution were calculated from the experimental γ13(∞) values obtained over the temperature range. The values of the selectivities for different separation problems were calculated from γ13(∞) and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, and additional ionic liquids. Experimental limiting activity coefficients were used to calculate gas-IL partition coefficients of solutes, K(L). The modeling with specific linear solvation energy relationship (LSER) equations was performed for data obtained in this work and those reported earlier for 1-butyl-1-methylpiperidinium thiocyanate, [BMPIP][SCN].
Quantum statistics of classical particles derived from the condition of free diffusion coefficient
Hoyuelos, Miguel
2016-01-01
We derive an equation for the current of particles in energy space; particles are subject to a mean field effective potential that may represent quantum effects. From the assumption that non-interacting particles imply a free diffusion coefficient in energy space we derive Maxwell-Boltzmann, Fermi-Dirac and Bose-Einstein statistics. Other new statistics are associated to a free diffusion coefficient; their thermodynamic properties are analyzed using the grand partition function. A negative relation between pressure and energy density for low temperatures can be derived, suggesting a possible connection with cosmological dark energy models.
Quantum statistics of classical particles derived from the condition of a free diffusion coefficient
Hoyuelos, M.; Sisterna, P.
2016-12-01
We derive an equation for the current of particles in energy space; particles are subject to a mean-field effective potential that may represent quantum effects. From the assumption that noninteracting particles imply a free diffusion coefficient in energy space, we derive Maxwell-Boltzmann, Fermi-Dirac, and Bose-Einstein statistics. Other new statistics are associated to a free diffusion coefficient; their thermodynamic properties are analyzed using the grand partition function. A negative relation between pressure and energy density for low temperatures can be derived, suggesting a possible connection with cosmological dark energy models.
Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Wang, Lihong V
2012-06-01
Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method, the absorption coefficients of an oxygenated bovine blood phantom at 560, 565, 570, and 575 nm were quantified with errors of acoustic spectral method provides greater quantification accuracy in the optical diffusive regime. The limitations of the acoustic spectral method was also discussed.
Kruk, D.; Meier, R.; Rachocki, A.; Korpała, A.; Singh, R. K.; Rössler, E. A.
2014-06-01
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(ω) 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.
Application of the Clustering Method in Molecular Dynamics Simulation of the Diffusion Coefficient
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
Using molecular dynamics (MD) simulation, the diffusion of oxygen, methane, ammonia and carbon dioxide in water was simulated in the canonical NVT ensemble, and the diffusion coefficient was analyzed by the clustering method. By comparing to the conventional method (using the Einstein model) and the differentiation-interval variation method, we found that the results obtained by the clustering method used in this study are more close to the experimental values. This method proved to be more reasonable than the other two methods.
Directory of Open Access Journals (Sweden)
Shumanova M.V.
2015-03-01
Full Text Available The process fish salting has been studied by the method of photon correlation spectroscopy; the distribution of salt concentration in the solution and herring flesh with skin has been found, diffusion coefficients and salt concentrations used for creating a mathematical model of the salting technology have been worked out; the possibility of determination by this method the coefficient of dynamic viscosity of solutions and different media (minced meat etc. has been considered
Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds
DEFF Research Database (Denmark)
Medvedev, Oleg; Shapiro, Alexander
2005-01-01
The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only...... components and to only one parameter for mixtures consisting of non-polar components. A possibility of complete prediction of the parameters is discussed....
Energy Technology Data Exchange (ETDEWEB)
Mahmoud, Omar M. [Department of Neurosurgery, Graduate School of Biomedical Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Department of Radiology, South Egypt Cancer Institute, Assiut University, Assiut 71515 (Egypt); Tominaga, Atsushi [Department of Neurosurgery, Graduate School of Biomedical Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Amatya, Vishwa Jeet [Department of Pathology, Graduate School of Biomedical Sciences, Hiroshima University, Hiroshima 734-8551 (Japan); Ohtaki, Megu [Department of Environmetrics and Biometrics, Research Institute for Radiation Biology and Medicine, Hiroshima University, Hiroshima 734-8551 (Japan); Sugiyama, Kazuhiko; Sakoguchi, Tetsuhiko; Kinoshita, Yasuyuki [Department of Neurosurgery, Graduate School of Biomedical Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Takeshima, Yukio [Department of Pathology, Graduate School of Biomedical Sciences, Hiroshima University, Hiroshima 734-8551 (Japan); Abe, Nobukazu; Akiyama, Yuji [Department of Clinical Radiology, Hiroshima University Hospital, Hiroshima 734-8551 (Japan); El-Ghoriany, Ahmad I. [Department of Neurosurgery, Faculty of Medicine, Assiut University, Assiut 71515 (Egypt); Alla, Abdel Karim H. Abd; El-Sharkawy, Mostafa A.M. [Department of Radiology, Faculty of Medicine, Assiut University, Assiut 71515 (Egypt); Arita, Kazunori [Department of Neurosurgery, Graduate School of Medical and Dental Sciences, Kagoshima University, Kagoshima (Japan); Kurisu, Kaoru [Department of Neurosurgery, Graduate School of Biomedical Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan); Yamasaki, Fumiyuki, E-mail: fyama@hiroshima-u.ac.jp [Department of Neurosurgery, Graduate School of Biomedical Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8551 (Japan)
2011-11-15
Objective: The relationship between tumor consistency and apparent diffusion coefficient (ADC) values is controversial. We evaluated the role of the ADC using an advanced diffusion-weighted imaging (DWI) technique. We employed periodically rotated overlapping parallel lines with enhanced reconstruction (PROPELLER) DWI acquired on a 3-T magnetic resonance imaging (MRI) scanner to assess the consistency of pituitary adenomas and examined the relationship between the ADC and the hormone secretion status of the tumors and their MIB-1 labeling index (MIB-1 LI). Materials and methods: The study protocol was approved by our institutional review board. We retrospectively studied 24 operated patients with pituitary adenomas who had undergone PROPELLER DWI on a 3-T MRI scanner. Conventional MRI findings were expressed as the ratio of the signal intensity (SI) in the lesions to the SI of the normal white matter and the degree of contrast enhancement. Minimum-, mean-, and maximum ADC (ADC{sub min}, ADC{sub mean}, ADC{sub max}) values were calculated. The consistency of the tumors was determined by neurosurgeons. All surgical specimens were submitted for histological study to calculate the MIB-1 LI and the percent collagen content. Preoperative MRI-, intraoperative-, and histological findings were analyzed by a statistician. Results: Our study included 15 soft-, 5 fibrous-, and 4 hard tumors. Tumor consistency was strongly associated with the percent collagen content. However, neither the tumor consistency nor the percent collagen content was correlated with MRI findings or ADC values. The SI of growth hormone-producing adenomas on T2-WI was lower than of the other pituitary adenomas studied (p < 0.01); no other significant difference was found in the ADC or on conventional MRI between pituitary adenomas with different secretory functions. The MIB-1 LI of pituitary adenomas was not correlated with their appearance on conventional MRI or their ADC values. Conclusion: Using the
Mikuni, Shintaro; Yamamoto, Johtaro; Horio, Takashi; Kinjo, Masataka
2017-08-25
The glucocorticoid receptor (GR) is a transcription factor, which interacts with DNA and other cofactors to regulate gene transcription. Binding to other partners in the cell nucleus alters the diffusion properties of GR. Raster image correlation spectroscopy (RICS) was applied to quantitatively characterize the diffusion properties of EGFP labeled human GR (EGFP-hGR) and its mutants in the cell nucleus. RICS is an image correlation technique that evaluates the spatial distribution of the diffusion coefficient as a diffusion map. Interestingly, we observed that the averaged diffusion coefficient of EGFP-hGR strongly and negatively correlated with its transcriptional activities in comparison to that of EGFP-hGR wild type and mutants with various transcriptional activities. This result suggests that the decreasing of the diffusion coefficient of hGR was reflected in the high-affinity binding to DNA. Moreover, the hyper-phosphorylation of hGR can enhance the transcriptional activity by reduction of the interaction between the hGR and the nuclear corepressors.
Regional and directional anisotropy of apparent diffusion coefficient in rat brain.
Hoehn-Berlage, M; Eis, M; Schmitz, B
1999-02-01
Quantitative diffusion maps were recorded in normal rat brain. In multi-slice sections covering the whole brain, strong variation of the apparent diffusion coefficient (ADC) was observed depending on slice position at constant gradient direction. Furthermore, a varying difference between apparent diffusion coefficients depending on gradient direction was found, reaching 32% in the cortex of the ventral-most horizontal sections while showing equal ADC on the dorsal cortex side. The regional variation and directional anisotropy of the ADC was not restricted to white matter but was described for both cortical and subcortical brain tissue. From diffusion coefficients along the three major field gradient directions (ADCx, ADCy, ADCz), the average ADC (ADCaverage) was determined from the trace of the diffusion tensor (D) as 653+/-28 microm2/s for parietal cortex and 671+/-32 microm2/s for lateral cortex, independent of position along the sagittal direction. From these observations about the regional diffusion anisotropy, a more stringent protocol for the description of ischemic ADC changes is proposed.
Kobayashi, Tatsuya; Itoh, Kimitaka; Ida, Katsumi; Inagaki, Sigeru; Itoh, Sanae-I.
2017-07-01
In this paper we propose a new set of formulae for estimating the harmonic frequency dependence of the diffusion coefficient and the convective velocity in the heat pulse propagation experiment in order to investigate the transport hysteresis. The assumptions that are used to derive the formulae can result in dummy frequency dependences of the transport coefficients. It is shown that these dummy frequency dependences of the transport coefficients can be distinguished from the true frequency dependence due to the transport hysteresis by using a bidirectional heat pulse propagation manner, in which both the outward propagating heat pulse and the inward propagating heat pulse are analyzed. The validity of the new formulae are examined in a simple numerical calculation.
Jebaraj Johnley Muthuraj, Josiah
Cathodic protection is widely used for corrosion prevention. However, this process generates hydrogen at the protected metal surface, and diffusion of hydrogen through the metal may cause hydrogen embrittlement or hydrogen induced stress corrosion cracking. Thus the choice of a metal for use as fasteners depends upon its hydrogen uptake, permeation, diffusivity and trapping. The diffusivity of hydrogen through four high strength alloys (AISI 4340, alloy 718, alloy 686, and alloy 59) was analyzed by an electrochemical method developed by Devanathan and Stachurski. The effect of plasma nitriding and microstructure on hydrogen permeation through AISI 4340 was studied on six different specimens: as-received (AR) AISI 4340, nitrided samples with and without compound layer, samples quenched and tempered (Q&T) at 320° and 520°C, and nitrided samples Q&T 520°C. Studies on various nitrided specimens demonstrate that both the gamma'-Fe 4N rich compound surface layer and the deeper N diffusion layer that forms during plasma nitriding reduce the effective hydrogen diffusion coefficient, although the gamma'-Fe4N rich compound layer has a larger effect. Multiple permeation transients yield evidence for the presence of only reversible trap sites in as-received, Q&T 320 and 520 AISI 4340 specimens, and the presence of both reversible and irreversible trap sites in nitrided specimens. Moreover, the changes in microstructure during the quenching and tempering process result in a significant decrease in the diffusion coefficient of hydrogen compared to as-received specimens. In addition, density functional theory-based molecular dynamics simulations yield hydrogen diffusion coefficients through gamma'- Fe4N one order of magnitude lower than through α-Fe, which supports the experimental measurements of hydrogen permeation. The effect of microstructure and trapping was also studied in cold rolled, solutionized, and precipitation hardened Inconel 718 foils. The effective hydrogen
Diffusion Coefficient of Helium in Mo-Assessed by the Internal Friction Technique
Institute of Scientific and Technical Information of China (English)
WANG Weiguo; YANG Junfeng; WANG Xianping; XIE Chunyi; LI Renhong; CHEN Junling; FANG Qianfeng
2009-01-01
Diffusion behavior of helium in molybdenum was investigated by means of the in-ternal friction method. An apparent relaxation internal friction peak associated with helium long-range diffusion was observed around 475 K at a resonant frequency of 56 Hz. In terms of the Gorsky relaxation model and the shift of the peak position with the measurement frequency, the activation energy and pre-exponential factor of the diffusion coefficient of the helium atoms in molybdenum were deduced as 0.63 eV and 6.5 cm2/s, respectively.
Aydin, E. D.; Katsimichas, S.; de Oliveira, C. R. E.
2005-10-01
In this paper, the finite-element-spherical harmonics (FE-PN) method is applied to the solution of transient Boltzmann transport equation. Firstly, transport and diffusion calculations are obtained for homogeneous and inhomogeneous circular regions. Results are compared in order to show the effects of different absorption coefficient values on the propagation of photons. Significant differences between two theories are shown to occur especially in cases when the absorption is increased. Secondly, to validate the FE-PN method, results from this method are compared with Monte Carlo calculations for different cases. Comparisons show good agreements between FE-transport and Monte Carlo solutions and demonstrate the correctness of the results obtained.
Thermodiffusion, molecular diffusion and Soret coefficients of aromatic+n-alkane binary mixtures
Larrañaga, Miren; Bou-Ali, M. Mounir; Lapeira, Estela; Lizarraga, Ion; Santamaría, Carlos
2016-10-01
In the present work, we have measured the thermodiffusion coefficient of 51 binary liquid mixtures at 25 oC. These mixtures correspond to the series of the aromatics toluene and 1-methylnaphthalene with n-alkanes nCi (i = 6, 8, 10, 12, and 14) at different mass fractions in the whole range. For that, we have used the thermogravitational technique. It is shown that the thermodiffusion coefficient is a linear function of the mass fraction in all the mixtures. Extrapolating the lines, we obtain the thermodiffusion coefficient in dilute solutions of n-alkanes for both toluene and 1-methylnaphthalene. These limiting values show a linear dependence with the inverse of the product of the molecular weights. In addition, we have measured the molecular diffusion coefficient of all the mixtures at 0.5 of mass fraction and at 25 oC, by the sliding symmetric tubes technique. It is observed that the product of this coefficient with the viscosity at the same concentrations takes a constant value for each of the series considered. Finally, we have also determined the Soret coefficient of the equimass mixtures by the combination of the measurements of thermodiffusion and molecular diffusion coefficients.
van der Hoorn, Anouk; Yan, Jiun-Lin; Larkin, Timothy J.; Boonzaier, Natalie R.; Matys, Tomasz; Price, Stephen J.
2016-01-01
BACKGROUND: Although targeted by radiotherapy, recurrence in glioblastoma occurs mainly periresectionally owing to tumor infiltration. An increase in the apparent diffusion coefficient (ADC) has been shown in the large high-T2 area on magnetic resonance imaging post-treatment; however, until now ADC
Bruining, J.; Fijnaut, H.M.
We have obtained a rotational diffusion coefficient of the 70S ribosome isolated from Escherichia-coli (MRE-600), from the depolarized light scattering spectrum measured by photon correlation spectroscopy. The intensity correlation function of depolarized scattered light contains contributions due
Bruining, J.; Fijnaut, H.M.
1975-01-01
We have obtained a rotational diffusion coefficient of the 70S ribosome isolated from Escherichia-coli (MRE-600), from the depolarized light scattering spectrum measured by photon correlation spectroscopy. The intensity correlation function of depolarized scattered light contains contributions due t
Spatial variation of eddy-diffusion coefficients in the turbulent plasma sheet during substorms
Directory of Open Access Journals (Sweden)
M. Stepanova
2009-04-01
Full Text Available Study of the plasma turbulence in the central plasma sheet was performed using the Interball-Tail satellite data. Fluctuations of the plasma bulk velocity in the plasma sheet were deduced from the measurements taken by the Corall instrument for different levels of geomagnetic activity and different locations inside the plasma sheet. The events that satisfied the following criteria were selected for analysis: number density 0.1–10 cm^{−3}, ion temperature T≥0.3 keV, and average bulk velocity ≤100 km/s. It was found that the plasma sheet flow generally appears to be strongly turbulent, i.e. is dominated by fluctuations that are unpredictable. Corresponding eddy-diffusion coefficients in Y- and Z-direction in the GSM coordinate system were derived using the autocorrelation time and rms velocity. Statistical studies of variation of the eddy-diffusion coefficients with the location inside the plasma sheet showed a significant increase in these coefficients in the tailward direction. During substorms this dependence shows strong increase of eddy-diffusion in the central part of the plasma sheet at the distances of 10–30 Earth's radii. This effect is much stronger for Y-components of the eddy-diffusion coefficient, which could be related to the geometry of the plasma sheet, allowing more room for development of eddies in this direction.
Guo, Zijian; Favazza, Christopher; Garcia-Uribe, Alejandro; Lihong V. Wang
2012-01-01
Photoacoustic (PA) microscopy (PAM) can image optical absorption contrast with ultrasonic spatial resolution in the optical diffusive regime. Conventionally, accurate quantification in PAM requires knowledge of the optical fluence attenuation, acoustic pressure attenuation, and detection bandwidth. We circumvent this requirement by quantifying the optical absorption coefficients from the acoustic spectra of PA signals acquired at multiple optical wavelengths. With the acoustic spectral method...
Diffusion Coefficients of CO, CO2, N2O, and N2 in Ethanol and Toluene
Snijder, Erwin D.; Riele, Marcel J.M. te; Versteeg, Geert F.; Swaaij, Wim P.M. van
1995-01-01
The Taylor dispersion technique was applied for the measurement of diffusion coefficients of dissolved gases in ethanol and toluene. Experiments with the system CO2 in H2O have been made to evaluate the accuracy of the method. The experimental procedure as described provides a fast and highly
Diffusion coefficients of Co, CO2, N20, and N2 in ethanol and toluene
Snijder, E.D.; Snijder, E.D.; te Riele, M.J.M.; van Swaaij, Willibrordus Petrus Maria; Versteeg, Geert
1995-01-01
The Taylor dispersion technique was applied for the measurement of diffusion coefficients of dissolved gases in ethanol and toluene. Experiments with the system COz in H20 have been made to evaluate the accuracy of the method. The experimental procedure as described provides a fast and highly
Lin, Yuning; Li, Hui; Chen, Ziqian; Ni, Ping; Zhong, Qun; Huang, Huijuan; Sandrasegaran, Kumar
2015-05-01
The purpose of this study was to investigate the application of histogram analysis of apparent diffusion coefficient (ADC) in characterizing pathologic features of cervical cancer and benign cervical lesions. This prospective study was approved by the institutional review board, and written informed consent was obtained. Seventy-three patients with cervical cancer (33-69 years old; 35 patients with International Federation of Gynecology and Obstetrics stage IB cervical cancer) and 38 patients (38-61 years old) with normal cervix or cervical benign lesions (control group) were enrolled. All patients underwent 3-T diffusion-weighted imaging (DWI) with b values of 0 and 800 s/mm(2). ADC values of the entire tumor in the patient group and the whole cervix volume in the control group were assessed. Mean ADC, median ADC, 25th and 75th percentiles of ADC, skewness, and kurtosis were calculated. Histogram parameters were compared between different pathologic features, as well as between stage IB cervical cancer and control groups. Mean ADC, median ADC, and 25th percentile of ADC were significantly higher for adenocarcinoma (p = 0.021, 0.006, and 0.004, respectively), and skewness was significantly higher for squamous cell carcinoma (p = 0.011). Median ADC was statistically significantly higher for well or moderately differentiated tumors (p = 0.044), and skewness was statistically significantly higher for poorly differentiated tumors (p = 0.004). No statistically significant difference of ADC histogram was observed between lymphovascular space invasion subgroups. All histogram parameters differed significantly between stage IB cervical cancer and control groups (p < 0.05). Distribution of ADCs characterized by histogram analysis may help to distinguish early-stage cervical cancer from normal cervix or cervical benign lesions and may be useful for evaluating the different pathologic features of cervical cancer.
Cipolla, Valentina; Santucci, Domiziana; Guerrieri, Daniele; Drudi, Francesco Maria; Meggiorini, Maria Letizia; de Felice, Carlo
2014-12-01
The aim of this study was to evaluate whether the apparent diffusion coefficient (ADC) provided by 3.0T (3T) magnetic resonance diffusion-weighted imaging (DWI) varied according to the grading of invasive breast carcinoma. A total of 92 patients with 96 invasive breast cancer lesions were enrolled; all had undergone 3T magnetic resonance imaging (MRI) for local staging. All lesions were confirmed by histological analysis, and tumor grade was established according to the Nottingham Grading System (NGS). MRI included both dynamic contrast-enhanced and DWI sequences, and ADC value was calculated for each lesion. ADC values were compared with NGS classification using the Mann-Whitney U and the Kruskal-Wallis H tests. Grading was considered as a comprehensive prognostic factor, and Rho Spearman test was performed to determine correlation between grading and tumor size, hormonal receptor status, HER2 expression and Ki67 index. Pearson's Chi square test was carried out to compare grading with the other prognostic factors. ADC values were significantly higher in G1 than in G3 tumors. No significant difference was observed when G1 and G3 were compared with G2. Tumor size, hormonal receptor status, HER2 expression and Ki67 index correlated significantly with grading but there was a significant difference only between G1 and G3 related to the ER and PR status, HER2 expression and Ki67 index. There was no statistically significant difference in lesion size between the two groups. ADC values obtained on 3T DWI correlated with low-grade (G1) and high-grade (G3) invasive breast carcinoma. 3T ADC may be a helpful tool for identifying high-grade invasive breast carcinoma. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Jothi, S., E-mail: s.jothi@swansea.ac.uk [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom); Winzer, N. [Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstraße 11, 79108 Freiburg (Germany); Croft, T.N.; Brown, S.G.R. [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom)
2015-10-05
Highlights: • Characterized polycrystalline nickel microstructure using EBSD analysis. • Development meso-microstructural model based on real microstructure. • Calculated effective diffusivity using experimental electrochemical permeation test. • Calculated intergranular diffusivity of hydrogen using computational FE simulation. • Validated the calculated computation simulation results with experimental results. - Abstract: Hydrogen induced intergranular embrittlement has been identified as a cause of failure of aerospace components such as combustion chambers made from electrodeposited polycrystalline nickel. Accurate computational analysis of this process requires knowledge of the differential in hydrogen transport in the intergranular and intragranular regions. The effective diffusion coefficient of hydrogen may be measured experimentally, though experimental measurement of the intergranular grain boundary diffusion coefficient of hydrogen requires significant effort. Therefore an approach to calculate the intergranular GB hydrogen diffusivity using finite element analysis was developed. The effective diffusivity of hydrogen in polycrystalline nickel was measured using electrochemical permeation tests. Data from electron backscatter diffraction measurements were used to construct microstructural representative volume elements including details of grain size and shape and volume fraction of grains and grain boundaries. A Python optimization code has been developed for the ABAQUS environment to calculate the unknown grain boundary diffusivity.
Marangoni flows induced by A + B -> C reaction fronts with arbitrary diffusion coefficients
Tiani, Reda; Rongy, Laurence
2016-11-01
We consider horizontal aqueous solutions in contact with air where three reacting species A, B, and C can affect the surface tension of the solution, thereby driving Marangoni flows. When the two reactants A and B, that are initially separated, are brought into contact, a reaction front producing species C is formed and evolves in time due to diffusion, convection and reaction processes. The resulting dynamics is studied by numerically integrating the incompressible Navier-Stokes equations coupled to reaction-diffusion-convection equations for the three chemical species. For equal initial concentrations of reactants and equal diffusion coefficients, we have explained how chemically-driven Marangoni flows can lead to complex dynamics of the front propagation. Here we extend such results for arbitrary values of the diffusion coefficients and initial concentrations of reactants. We give the general classification of the surface tension profiles as a function of the Marangoni numbers quantifying the effect of each species on the surface tension, the ratio of initial concentrations of reactants and the ratios of diffusion coefficients. Such a classification allows us then to study the resulting structure of the convective rolls as well as the nonlinear dynamics of the reaction front. F.R.S.- FNRS, ARC.
Kong, Jing; Bo, Zheng; Yang, Huachao; Yang, Jinyuan; Shuai, Xiaorui; Yan, Jianhua; Cen, Kefa
2017-03-03
The behavior of ion diffusion in nano-confined spaces and its temperature dependence provide important fundamental information about electric double-layer capacitors (EDLCs) employing nano-sized active materials. In this work, the ion diffusion coefficients of NaCl electrolyte confined within neutral and charged graphene nanochannels at different temperatures are investigated using molecular dynamics simulations. The results show that ions confined in neutral nanochannels diffuse faster (along the graphene surfaces) than those in bulk solution, which could be attributed to the relatively smaller concentration in confined spaces and the solvophobic nature of graphene surfaces. In charged nanochannels where the electrostatic interactions between counter-ions and charged channel surfaces govern the motion of ions, the diffusion coefficients are found to be lower than those in the neutral counterparts. The increase of temperature will lead to enhanced vibrant thermal motion of ions. Due to the significant role of ion-surface interactions, ion diffusion coefficients in nano-confined spaces are more stable, that is, insensitive to the temperature variation, than those in bulk solution. The electrical conductivity is further estimated using the Nernst-Einstein equation. The findings of the current work could provide basic data and information for research studies on the thermal effects of graphene-based EDLCs.
Energy Technology Data Exchange (ETDEWEB)
Perfetti, C.; Martin, W. [Univ. of Michigan, Dept. of Nuclear Engineering and Radiological Sciences, 2355 Bonisteel Boulevard, Ann Arbor, MI 48109-2104 (United States); Rearden, B.; Williams, M. [Oak Ridge National Laboratory, Reactor and Nuclear Systems Div., Bldg. 5700, P.O. Box 2008, Oak Ridge, TN 37831-6170 (United States)
2012-07-01
Three methods for calculating continuous-energy eigenvalue sensitivity coefficients were developed and implemented into the Shift Monte Carlo code within the SCALE code package. The methods were used for two small-scale test problems and were evaluated in terms of speed, accuracy, efficiency, and memory requirements. A promising new method for calculating eigenvalue sensitivity coefficients, known as the CLUTCH method, was developed and produced accurate sensitivity coefficients with figures of merit that were several orders of magnitude larger than those from existing methods. (authors)
A Simple and Accurate Method for Calculating the Gaussian Beam Expansion Coefficients
Institute of Scientific and Technical Information of China (English)
LIU Wei; YANG Jun
2010-01-01
@@ The calculation of the diffraction field radiated from the ultrasonic transducer can be simplified by using the Gaussian beam expansion technique.The key problem of this technique is how to determine the coefficients of Gaussian functions.We present a simple and accurate optimization method to calculate the Gaussian beam expansion Coefficients.Half of the coefficients are obtained by solving linear equations.The other half are derived from the Fourier series expansion.Wave field simulation results demonstrate the validity of the new method.
Saâdi, Zakaria
2014-05-01
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.
Institute of Scientific and Technical Information of China (English)
朱艳; 杨延清; 孙军
2004-01-01
Based on Kohler's ternary solution model and Miedema's model for calculating the formation heat of binary solution, the integral equation was established for calculating the activity coefficients in ternary alloys and intermetallics. The activity coefficients for components in alloy Ti-5Al-2.5Sn, Ti-6Al-4V and intermetallics TiAl, Ti3 Al and Ti2 AlNb were calculated with the equations. The calculated data coincide well with the experimental ones found in literatures. According to the calculated activity coefficients and activities, it can be predicted that the interfacial reaction in SiC/Ti3 Al composite is more severe than that in composites SiC/Ti2 AlNb and SiC/TiAl.
Energy Technology Data Exchange (ETDEWEB)
Kucza, Witold, E-mail: witek@agh.edu.pl
2013-07-25
Graphical abstract: -- Highlights: •Former random walk approach for FIA simulations has been improved. •Random walk and uniform dispersion models have been used for FIA simulations. •Diffusivities have been optimized by genetic and the Levenberg–Marquardt methods. •Both approaches have given similar results in agreement with experimental ones. -- Abstract: Stochastic and deterministic simulations of dispersion in cylindrical channels on the Poiseuille flow have been presented. The random walk (stochastic) and the uniform dispersion (deterministic) models have been used for computations of flow injection analysis responses. These methods coupled with the genetic algorithm and the Levenberg–Marquardt optimization methods, respectively, have been applied for determination of diffusion coefficients. The diffusion coefficients of fluorescein sodium, potassium hexacyanoferrate and potassium dichromate have been determined by means of the presented methods and FIA responses that are available in literature. The best-fit results agree with each other and with experimental data thus validating both presented approaches.
Measurement of the transverse diffusion coefficient of charge in liquid xenon
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
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.
Directory of Open Access Journals (Sweden)
Khalisanni Khalid
2011-01-01
Full Text Available The reversed-flow gas chromatography (RF-GC technique was used to study the evaporation rate and estimating the diffusion coefficient of samples. The RF-GC system comprises of six-port valve, sampling and diffusion column, detector and modified commercial gas chromatography machine. Selected long chain of hydrocarbons (99.99% purity was used as samples. The solute (stationary phase were carried out by carrier gas (mobile phase to the detector. The data obtained from the RF-GC analysis were analysed by deriving the elution curve of the sample peaks using mathematical expression to find the diffusion coefficients values of respective liquids. The values obtained were compared with theoretical values to ensure the accuracy of readings. The interesting findings of the research showed the theoretical values of equilibrium at liquid-gas interphase lead to profound an agreement with the experimental evidence, which contributes for the references of future studies.
Dong, Shiqing; You, Minghai; Chen, Jianling; Zhou, Jie; Xie, Shusen; Yang, Hongqin
2017-06-01
The fluidity of proteins and lipids on cell membrane plays an important role in cell’s physiological functions. Fluorescence correlation spectroscopy (FCS) is an effective technique to detect the rapid dynamic behaviors of proteins and/or lipids in living cells. In this study, we used the rhodamine6G solution to optimize the FCS system. And, cholera toxin B subunit (CT-B) was used to label ganglioside on living Hela cell membranes. The diffusion time and coefficients of ganglioside can be obtained through fitting the autocorrelation curve based on the model of two-dimensional cell membrane. The results showed that the diffusion coefficients of ganglioside distributed within a wide range. It revealed the lateral diffusion of lipids on cell membrane was inhomogeneous, which was due to different microstructures of cytoplasmic membrane. The study provides a helpful method for further studying the dynamic characteristics of proteins and lipids molecules on living cell membrane.
Parameterization of the Age-Dependent Whole Brain Apparent Diffusion Coefficient Histogram
Directory of Open Access Journals (Sweden)
Uwe Klose
2015-01-01
Full Text Available Purpose. The distribution of apparent diffusion coefficient (ADC values in the brain can be used to characterize age effects and pathological changes of the brain tissue. The aim of this study was the parameterization of the whole brain ADC histogram by an advanced model with influence of age considered. Methods. Whole brain ADC histograms were calculated for all data and for seven age groups between 10 and 80 years. Modeling of the histograms was performed for two parts of the histogram separately: the brain tissue part was modeled by two Gaussian curves, while the remaining part was fitted by the sum of a Gaussian curve, a biexponential decay, and a straight line. Results. A consistent fitting of the histograms of all age groups was possible with the proposed model. Conclusions. This study confirms the strong dependence of the whole brain ADC histograms on the age of the examined subjects. The proposed model can be used to characterize changes of the whole brain ADC histogram in certain diseases under consideration of age effects.
Directory of Open Access Journals (Sweden)
L.M. Pereira
2001-09-01
Full Text Available In this article we compare two different techniques to measure the concentration of saline solutions for the identification of the apparent mass diffusion coefficient in soils saturated with distilled water. They are the radiation measurement technique and the electrical conductivity measurement technique. These techniques are compared in terms of measured quantities, sensitivity coefficients with respect to unknown parameters and the determinant of the information matrix. The apparent mass diffusion coefficient is estimated by utilizing simulated measurements containing random errors. The Levenberg-Marquardt method of minimization of the least-squares norm is used as the parameter estimation procedure. The effects of the volume of saline solution injected into the column devised for the experiments on the accuracy of the estimated parameters are also addressed in this article.
Energy Technology Data Exchange (ETDEWEB)
Berne, P.; Brouard, C.; Pocachard, J. [CEA, FrancCEA/LITEN/LCSN, F-38054 Grenoble cedex 9 (France); Duhart-Barone, A.; Grec, D.; Le Cocguen, A. [CEA/DSN/LECD, F-13108 Cadarache (France)
2009-07-01
In water-saturated media the main mode for contaminant transport is liquid transfer, and the confinement capacity of the materials is notably characterized by the effective diffusion coefficient (EDC) of tritiated water. The major problem lies in the duration of experiments, that can exceed several years, so two methods have been explored for the development of accelerated ones. The first consists in a variation of the through-diffusion technique: a given tracer concentration, C{sub 0}, is applied on one face of the sample that has been previously impregnated with a C{sub 0/2} concentration. The duration of the essay can then be divided by 3. The second method involves accelerated migration under the influence of an electric field and direct measurement of the current density. The results are in the same range as the classical through-diffusion experiments, and obtained in about one month. In non water-saturated media, the diffusing fluid of interest is generally the gaseous phase. Two applications at various steps of the nuclear fuel cycle are presented: characterization of the migration of hydrogen in the host rock formation of a geological waste storage, and of the diffusion of tritium gas in the concrete containment structure of decommissioned UNGG nuclear power plants. In both cases the media are close to saturation and the pore water content must be precisely controlled. This paper presents a method which allows to determine the intrinsic permeability and gas diffusion coefficients of the materials. (authors)
Energy Technology Data Exchange (ETDEWEB)
Schroeder, Paul C.; Donovan Post, M. Judith; Bruce-Gregorios, Jocelyn [University of Miami, Jackson Memorial Hospital, Miami, FL (United States); Oschatz, Elizabeth; Stadler, Alfred; Thurnher, Majda M. [Medical University of Vienna, Department of Radiology Neuroradiology Section, Vienna (Austria)
2006-10-15
Toxoplasmosis and lymphoma are common lesions of the central nervous system in patients with AIDS. It is often difficult to distinguish between these lesions both clinically and radiographically. Previous research has demonstrated restricted diffusion within cerebral lymphomas and bacterial abscesses. However, little work has been done to evaluate the diffusion characteristics of toxoplasmosis lesions. This study was designed to explore further the utility of diffusion-weighted imaging (DWI) and apparent diffusion coefficient (ADC) maps and values in making the distinction between toxoplasmosis and lymphoma. The magnetic resonance imaging (MRI) studies of 36 patients, including 22 with toxoplasmosis (all of whom had AIDS) and 14 with lymphoma (8 of whom had AIDS), at two institutions were reviewed retrospectively. The characteristics of the lesions on DWI were evaluated, and the ADC ratios of the lesions were calculated and compared. There was significant overlap of the ADC ratios of toxoplasma and lymphoma, most notably in the intermediate (1.0-1.6) range. There was variability in ADC ratios even among different lesions in the same patient. In only a minority of the lymphoma patients were the ADC ratios low enough to suggest the correct diagnosis. Our study showed that toxoplasmosis exhibits a wide spectrum of diffusion characteristics with ADC ratios which have significant overlap with those of lymphoma. Therefore, in the majority of patients, ADC ratios are not definitive in making the distinction between toxoplasmosis and lymphoma. (orig.)
A method to fast determine the coupling coefficients in CI calculation
Institute of Scientific and Technical Information of China (English)
甘正汀; 苏克和; 王育邠; 文振翼
1999-01-01
A new algorithm for evaluating the coupling coefficients and the addresses of molecular integrals in configuration interaction (CI) calculations is presented, which leads to an improved CI calculation program CGUGA. The validity and efficiency of the new code are compared with other programs, such as MELD and GAUSSIAN-94.
[Diffusion factor calculation for TIP4P model of water].
Zlenko, D V
2012-01-01
A molecular dynamics study has been undertaken for a model of liquid TIP4P water. Thermal dependencies of water density and radial distribution functions were calculated for model verification. Three methods have been used for calculation of diffusion factor thermal dependencies. Their sensitivity to molecular system size and length of used trajectory has been analyzed. It has been shown that Green-Kubo formula-based approach which associates diffusion factor with speed autocorrelation function integral is preferred in case of short MD simulations. The second approach based on Einstein equation which associates mean square displacement of molecule with time is preferred in case of long simulations. It has been also demonstrated that it is possible to modify the second approach to make it more stable and reliable. This modification is to use a slope of the graph of the mean square displacement on time as the estimation of the diffusion factor instead of the ratio of molecule mean square displacement and time.
Directory of Open Access Journals (Sweden)
KOHIO Niéssan
2014-12-01
Full Text Available In this paper we calculate the transport coefficients of plasmas formed by air and water vapor mixtures. The calculation, which assume local thermodynamic equilibrium (LTE are performed in the temperature range from 500 to 12000 K. We use the Gibbs free energy minimization method to determine the equilibrium composition of the plasmas, which is necessary to calculate the transport coefficients. We use the Chapman-Enskog method to calculate the transport coefficients. The results are presented and discussed according to the rate of water vapor. The results of the total thermal conductivity and electrical conductivity show in particular that the increasing of the rate of water vapor in air can be interesting for power cut. This could be improve the performance of plasma during current breaking in air contaminate by the water vapor.
Hellman-Feynman operator sampling in diffusion Monte Carlo calculations.
Gaudoin, R; Pitarke, J M
2007-09-21
Diffusion Monte Carlo (DMC) calculations typically yield highly accurate results in solid-state and quantum-chemical calculations. However, operators that do not commute with the Hamiltonian are at best sampled correctly up to second order in the error of the underlying trial wave function once simple corrections have been applied. This error is of the same order as that for the energy in variational calculations. Operators that suffer from these problems include potential energies and the density. This Letter presents a new method, based on the Hellman-Feynman theorem, for the correct DMC sampling of all operators diagonal in real space. Our method is easy to implement in any standard DMC code.
Bond lifetime and diffusion coefficient in colloids with short-range interactions.
Ndong Mintsa, E; Germain, Ph; Amokrane, S
2015-03-01
We use molecular dynamics simulations to study the influence of short-range structures in the interaction potential between hard-sphere-like colloidal particles. Starting from model potentials and effective potentials in binary mixtures computed from the Ornstein-Zernike equations, we investigate the influence of the range and strength of a possible tail beyond the usual core repulsion or the presence of repulsive barriers. The diffusion coefficient and mean "bond" lifetimes are used as indicators of the effect of this structure on the dynamics. The existence of correlations between the variations of these quantities with the physical parameters is discussed to assess the interpretation of dynamics slowing down in terms of long-lived bonds. We also discuss the question of a universal behaviour determined by the second virial coefficient B ((2)) and the interplay of attraction and repulsion. While the diffusion coefficient follows the B ((2)) law for purely attractive tails, this is no longer true in the presence of repulsive barriers. Furthermore, the bond lifetime shows a dependence on the physical parameters that differs from that of the diffusion coefficient. This raises the question of the precise role of bonds on the dynamics slowing down in colloidal gels.
Cavé, Lisa; Al, Tom; Xiang, Yan; Vilks, Peter
2009-01-07
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 (D(p)) in geologic materials based on X-ray radiography. Changes in X-ray absorption coefficient (Deltamicro) are used to quantify changes in relative concentration (C/C(0)) of an X-ray attenuating iodide tracer as the tracer solution diffuses through the rock pores. Estimated values of D(p) 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 (phi(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 D(p) of (4.8+/-2.5)x10(-11) m(2).s(-1) (mean+/-standard deviation) were measured for samples of Queenston Formation shale and (2.6+/-1.0)x10(-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 D(p) values of (4.6+/-2.0)x10(-11) m(2).s(-1) for shale and (3.5+/-1.8)x10(-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 phi(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
Energy Technology Data Exchange (ETDEWEB)
Kruk, D. [Faculty of Mathematics and Computer Science, University of Warmia and Mazury in Olsztyn, Słoneczna 54, PL-10710 Olsztyn (Poland); Universität Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany); Meier, R.; Rössler, E. A. [Universität Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany); Rachocki, A. [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań (Poland); Korpała, A. [Department of Biophysics, Jagiellonian University Medical College, Łazarza 16, 31-530 Kraków, Poland and Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków (Poland); Singh, R. K. [Ionic Liquid and Solid State Ionics Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221 005 (India)
2014-06-28
Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220–258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF{sub 4}, 243–318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}, 258–323 K). The dispersion of {sup 1}H spin-lattice relaxation rate R{sub 1}(ω) is measured in the frequency range of 10 kHz–20 MHz, and the studies are complemented by {sup 19}F spin-lattice relaxation measurements on BMIM-PF{sub 6} in the corresponding frequency range. From the {sup 1}H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF{sub 4}, and BMIM-PF{sub 6} are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the {sup 1}H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R{sub 1} on square root of frequency. From the {sup 19}F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF{sub 6}. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids.
A new in-situ method to determine the apparent gas diffusion coefficient of soils
Laemmel, Thomas; Paulus, Sinikka; Schack-Kirchner, Helmer; Maier, Martin
2015-04-01
Soil aeration is an important factor for the biological activity in the soil and soil respiration. Generally, gas exchange between soil and atmosphere is assumed to be governed by diffusion and Fick's Law is used to describe the fluxes in the soil. The "apparent soil gas diffusion coefficient" represents the proportional factor between the flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gases through the soil. One common way to determine this coefficient is to take core samples in the field and determine it in the lab. Unfortunately this method is destructive and needs laborious field work and can only reflect a small fraction of the whole soil. As a consequence insecurity about the resulting effective diffusivity on the profile scale must remain. We developed a new in-situ method using new gas sampling device, tracer gas and inverse soil gas modelling. The gas sampling device contains several sampling depths and can be easily installed into vertical holes of an auger, which allows for fast installation of the system. At the lower end of the device inert tracer gas is injected continuously. The tracer gas diffuses into the surrounding soil. The resulting distribution of the tracer gas concentrations is used to deduce the diffusivity profile of the soil. For Finite Element Modeling of the gas sampling device/soil system the program COMSOL is used. We will present the results of a field campaign comparing the new in-situ method with lab measurements on soil cores. The new sampling pole has several interesting advantages: it can be used in-situ and over a long time; so it allows following modifications of diffusion coefficients in interaction with rain but also vegetation cycle and wind.
Wurster, James
2016-09-01
In this paper, we introduce Nicil: Non-Ideal magnetohydrodynamics Coefficients and Ionisation Library. Nicil is a stand-alone Fortran90 module that calculates the ionisation values and the coefficients of the non-ideal magnetohydrodynamics terms of Ohmic resistivity, the Hall effect, and ambipolar diffusion. The module is fully parameterised such that the user can decide which processes to include and decide upon the values of the free parameters, making this a versatile and customisable code. The module includes both cosmic ray and thermal ionisation; the former includes two ion species and three species of dust grains (positively charged, negatively charged, and neutral), and the latter includes five elements which can be doubly ionised. We demonstrate tests of the module, and then describe how to implement it into an existing numerical code.
Wurster, James
2016-01-01
In this paper, we introduce Nicil: Non-Ideal magnetohydrodynamics Coefficients and Ionisation Library. Nicil is a stand-alone Fortran90 module that calculates the ionisation values and the coefficients of the non-ideal magnetohydrodynamics terms of Ohmic resistivity, the Hall effect, and ambipolar diffusion. The module is fully parameterised such that the user can decide which processes to include and decide upon the values of the free parameters, making this a versatile and customisable code. The module includes both cosmic ray and thermal ionisation; the former includes two ion species and three species of dust grains (positively charged, negatively charged and neutral), and the latter includes five elements which can be doubly ionised. We demonstrate tests of the module, and then describe how to implement it into an existing numerical code.
Suzuki, S.; Itoh, H.
2016-05-01
The diffusion coefficient of the metastable excited Ne(3P2) atom in neon, the reflection coefficient of Ne(3P2) at the surface of an electrode and the rate coefficient of Ne(3P2) for collisional quenching by Ne(1S0) were determined from the gas pressure dependence of the effective lifetime of Ne(3P2). The effective lifetime of Ne(3P2) was measured from the transient current after turning off the Ultraviolet (UV) light in a Townsend discharge. The observed transient current waveform was analysed by solving the diffusion equation for the metastable excited Ne(3P2) atom using the third kind of boundary condition. The rate coefficient of Ne(3P2) for collisional quenching by Ne(1S0) and the reflection coefficient were determined by a nonspectroscopic method for the first time in neon to the best of our knowledge and were (3.2 ± 0.4) × 10-16 cm3 s-1 and 0.10 ± 0.04, respectively. The obtained diffusion coefficient at 1 Torr was 177 ± 17 cm2 s-1, which is consistent with the value reported by Dixon and Grant. Moreover, the present results are compared with the results of Phelps and were found to be in good agreement. We also discuss the deexcitation rate of Ne(3P2) at pressures of up to 60 Torr in comparison with previously reported values.
Institute of Scientific and Technical Information of China (English)
LIANG Hui; ZHAO Wei; DAI Dejun; ZHANG Jun
2014-01-01
Diapycnal mixing is important in oceanic circulation. An inverse method in which a semi-explicit scheme is applied to discretize the one-dimensional temperature diffusion equation is established to estimate the vertical temperature diffusion coefficient based on the observed temperature profiles. The sensitivity of the inverse model in the idealized and actual conditions is tested in detail. It can be found that this inverse model has high feasibility under multiple situations ensuring the stability of the inverse model, and can be considered as an efficient way to estimate the temperature diffusion coefficient in the weak current regions of the ocean. Here, the hydrographic profiles from Argo floats are used to estimate the temporal and spatial distribution of the vertical mixing in the north central Pacific based on this inverse method. It is further found that the vertical mixing in the upper ocean displays a distinct seasonal variation with the amplitude decreasing with depth, and the vertical mixing over rough topography is stronger than that over smooth topography. It is suggested that the high-resolution profiles from Argo floats and a more reasonable design of the inverse scheme will serve to understand mixing processes.
Thermal Expansion and Diffusion Coefficients of Carbon Nanotube-Polymer Composites
Wei, Chengyu; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)
2001-01-01
Classical molecular dynamics (MD) simulations employing Brenner potential for intra-nanotube interactions and van der Waals forces for polymer-nanotube interface have been used to investigate thermal expansion and diffusion characteristics of carbon nanotube-polyethylene composites. Addition of carbon nanotubes to polymer matrix is found to significantly increase the glass transition temperature Tg, and thermal expansion and diffusion coefficients in the composite above Tg. The increase has been attributed to the temperature dependent increase of the excluded volume for the polymer chains, and the findings could have implications in the composite processing, coating and painting applications.
New sensitive micro-measurements of dynamic surface tension and diffusion coefficients
DEFF Research Database (Denmark)
Kinoshita, Koji; Ortiz, Elisa Parra; Needham, David
2017-01-01
. These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the “micropipette interfacial area-expansion method” was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion...... controlled molecular adsorption at the air-water interfaces. To validate the new technique, the diffusion coefficient of 1-Octanol in water was investigated with existing models: the Ward Tordai model for the long time adsorption regime (1–100 s), and the Langmuir and Frumkin adsorption isotherm models...
Weibert, Kirsten; Main, Jörg; Wunner, Günter
2001-12-01
A method is proposed for the calculation of diffusion constants for one-dimensional maps exhibiting deterministic diffusion. The procedure is based on harmonic inversion and uses a known relation between the diffusion constant and the periodic orbits of a map. The method is tested on an example map for which results calculated by different other techniques are available for comparison.
Measuring the ratio of aqueous diffusion coefficients between 6Li +Cl - and 7Li +Cr - by osmometry
Fritz, Steven J.
1992-10-01
Osmotic equilibrium is a singular occurrence in the evolution of an osmotic cell because at this event the net solution flux is zero such that -J w · V¯w = J s · V¯s. At this juncture, the diffusion coefficient of the solute through the membrane (ω) equals the solute flux ( Js) divided by the osmotic pressure (ΔΠ). Because the solute permeability coefficient (ω) is related to the Fickian diffusion coefficient ( D) through the gas constant, temperature, and the membrane's thickness and tortuosity, the ratio of ω values for individual isotopic species equals the ratio of D values for the same isotopic components. A 0.9450 molal LiCl solution was placed within sealed dialysis tubing and osmoted against a kilogram of deionized water at 22°C. Osmotic equilibrium occurred at 164 ± 10 min. The ratio of ω6Li +Cl -/ω7Li +Cl - was measured to be 1.011 ± 0.003 - a value close to the square root of the mass ratio between 7LiCl and 6LiCl (= 1.012) as calculated by Graham's Law. The measured diffusion coefficient ratio was used to predict the degree of hyperfiltration-induced fractionation of Li isotopes as a function of membrane ideality. When a membrane's σ exceeds 0.95 (as is likely for low-porosity shales) the 6Li /7Li ratio on the high-pressure side of the membrane can theoretically vary by more than 0.0017.
Maryshev, Boris; Latrille, Christelle; Néel, Marie-Christine
2016-01-01
Tracer tests in natural porous media sometimes show abnormalities that suggest considering a fractional variant of the Advection Diffusion Equation supplemented by a time derivative of non-integer order. We are describing an inverse method for this equation: it finds the order of the fractional derivative and the coefficients that achieve minimum discrepancy between solution and tracer data. Using an adjoint equation divides the computational effort by an amount proportional to the number of freedom degrees, which becomes large when some coefficients depend on space. Method accuracy is checked on synthetical data, and applicability to actual tracer test is demonstrated.
Institute of Scientific and Technical Information of China (English)
Hai-Yi Wang; Jia Wang; Ye-Huan Tang; Hui-Yi Ye; Lin Ma
2015-01-01
Background:Coronal diffusion-weighted magnetic resonance imaging (DW-MRI) and apparent diffusion coefficient (ADC) values have gradually become applied (following conventional axial DW-MRI) in the renal analysis.To explore whether data obtained using coronal DW-MRI are comparable with those derived using axial DW-MRI,this preliminary study sought to assess the agreement in renal ADC values between coronal DW-MRI and axial DW-MRI.Methods:Thirty-four healthy volunteers were enrolled in the study; written consents were obtained.All subjects underwent respiratory-triggered axial and coronal DW-MRI using a 1.5-MR system with b values of 0 and 800 s/mm2.The signal-to-noise ratios (SNRs) of the two DW-MRI sequences were measured and statistically compared using the paired t-test.The extent of agreement of ADC values of the upper pole,mid-pole,and lower pole of the kidney; the mean ADC values of the left kidney and right kidney; and the mean ADC values of the bilateral kidneys were evaluated via calculation of intraclass correlation coefficients (ICCs) or Bland-Altman method between the two DW-MRI sequences.Results:The SNR of coronal DW-MR images was statistically inferior to that of axial DW-MR images (P ＜ 0.001).The ICCs of the ADC values of each region of interest,and the mean ADC values of bilateral kidneys,between the two sequences,were greater than 0.5,and the mean ADCs of the bilateral kidneys demonstrated the highest ICC (0.869; 95％ confidence interval:0.739-0.935).In addition,94.1％ (32/34),94.1％ (32/34),and 97.1％ (31/34) of the ADC bias was inside the limits of agreement in terms of the mean ADC values of the left kidneys,right kidneys,and bilateral kidneys when coronal and axial DWI-MRI were compared.Conclusions:ADC values derived using coronal DW-MRI exhibited moderate-to-good agreement to those of axial DW-MRI,rendering the former an additional useful DW-MRI method,and causing the ADC values derived using the two types of DW-MRI to be comparable.
Newman, P. A.; Schoeberl, M. R.; Plumb, R. A.
1986-01-01
Calculations of the two-dimensional, species-independent mixing coefficients for two-dimensional chemical models for the troposphere and stratosphere are performed using quasi-geostrophic potential vorticity fluxes and gradients from 4 years of National Meteorological Center data for the four seasons in both hemispheres. Results show that the horizontal mixing coefficient values for the winter lower stratosphere are broadly consistent with those currently employed in two-dimensional models, but the horizontal mixing coefficient values in the northern winter upper stratosphere are much larger than those usually used.
Improved method for calculating neoclassical transport coefficients in the banana regime
Energy Technology Data Exchange (ETDEWEB)
Taguchi, M., E-mail: taguchi.masayoshi@nihon-u.ac.jp [College of Industrial Technology, Nihon University, Narashino 275-8576 (Japan)
2014-05-15
The conventional neoclassical moment method in the banana regime is improved by increasing the accuracy of approximation to the linearized Fokker-Planck collision operator. This improved method is formulated for a multiple ion plasma in general tokamak equilibria. The explicit computation in a model magnetic field shows that the neoclassical transport coefficients can be accurately calculated in the full range of aspect ratio by the improved method. The some neoclassical transport coefficients for the intermediate aspect ratio are found to appreciably deviate from those obtained by the conventional moment method. The differences between the transport coefficients with these two methods are up to about 20%.
Calculation of thermal expansion coefficient of glasses based on topological constraint theory
Zeng, Huidan; Ye, Feng; Li, Xiang; Wang, Ling; Yang, Bin; Chen, Jianding; Zhang, Xianghua; Sun, Luyi
2016-10-01
In this work, the thermal expansion behavior and the structure configuration evolution of glasses were studied. Degree of freedom based on the topological constraint theory is correlated with configuration evolution; considering the chemical composition and the configuration change, the analytical equation for calculating the thermal expansion coefficient of glasses from degree of freedom was derived. The thermal expansion of typical silicate and chalcogenide glasses was examined by calculating their thermal expansion coefficients (TEC) using the approach stated above. The results showed that this approach was energetically favorable for glass materials and revealed the corresponding underlying essence from viewpoint of configuration entropy. This work establishes a configuration-based methodology to calculate the thermal expansion coefficient of glasses that, lack periodic order.
Directory of Open Access Journals (Sweden)
Shengming Deng
2017-01-01
Full Text Available The objective of this meta-analysis is to explore the correlation between the apparent diffusion coefficient (ADC on diffusion-weighted MR and the standard uptake value (SUV of 18F-FDG on PET/CT in patients with cancer. Databases such as PubMed (MEDLINE included, EMBASE, and Cochrane Database of Systematic Review were searched for relevant original articles that explored the correlation between SUV and ADC in English. After applying Fisher’s r-to-z transformation, correlation coefficient (r values were extracted from each study and 95% confidence intervals (CIs were calculated. Sensitivity and subgroup analyses based on tumor type were performed to investigate the potential heterogeneity. Forty-nine studies were eligible for the meta-analysis, comprising 1927 patients. Pooled r for all studies was −0.35 (95% CI: −0.42–0.28 and exhibited a notable heterogeneity (I2 = 78.4%; P < 0.01. In terms of the cancer type subgroup analysis, combined correlation coefficients of ADC/SUV range from −0.12 (lymphoma, n = 5 to −0.59 (pancreatic cancer, n = 2. We concluded that there is an average negative correlation between ADC and SUV in patients with cancer. Higher correlations were found in the brain tumor, cervix carcinoma, and pancreas cancer. However, a larger, prospective study is warranted to validate these findings in different cancer types.
Parsafar, G. A.; Shokouhi, M.
properties of the fluids at the zero density limit, including viscosity, thermal conductivity, and self-diffusion coefficients, are calculated using the same values of the potential parameters. Maximum percentage deviation of transport properties at the zero density limit is about 3% for viscosity (except for Ar, with 5%), about 2.5% for thermal conductivity (except for N2 and Ar, at 8 and 5%, respectively), and about 8% for the self-diffusion coefficient. In comparison with experimental data, the modified potential model gives more accurate results than those obtained from the hard-core and modified hard-core potential models, especially at high temperatures.
Moisture diffusion coefficients determination of furan bonded sands and water based foundry coatings
DEFF Research Database (Denmark)
Di Muoio, Giovanni Luca; Tiedje, Niels Skat
2016-01-01
Moisture content in furan bonded sand and water based coatings can be one of the main causes for gas related defects in large cast iron parts. Moisture diffusion coefficients for these materials are needed to precisely predict the possible moisture levels in foundry moulds. In this study, we firs...... provide an example on how it is possible to apply this knowledge to estimate moisture variation in a sand mould during production....
Thermodynamic scaling law for the diffusion coefficient in hard-sphere system
Bomont, Jean-Marc; Bretonnet, Jean-Louis
2015-02-01
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.
Afacan, Onur; Gholipour, Ali; Mulkern, Robert V; Barnewolt, Carol E; Estroff, Judy A; Connolly, Susan A; Parad, Richard B; Bairdain, Sigrid; Warfield, Simon K
2016-12-01
To evaluate the feasibility of using diffusion-weighted magnetic resonance imaging (DW-MRI) to assess the fetal lung apparent diffusion coefficient (ADC) at 3 Tesla (T). Seventy-one pregnant women (32 second trimester, 39 third trimester) were scanned with a twice-refocused Echo-planar diffusion-weighted imaging sequence with 6 different b-values in 3 orthogonal diffusion orientations at 3T. After each scan, a region-of-interest (ROI) mask was drawn to select a region in the fetal lung and an automated robust maximum likelihood estimation algorithm was used to compute the ADC parameter. The amount of motion in each scan was visually rated. When scans with unacceptable levels of motion were eliminated, the lung ADC values showed a strong association with gestational age (P < 0.01), increasing dramatically between 16 and 27 weeks and then achieving a plateau around 27 weeks. We show that to get reliable estimates of ADC values of fetal lungs, a multiple b-value acquisition, where motion is either corrected or considered, can be performed. J. Magn. Reson. Imaging 2016;44:1650-1655. © 2016 International Society for Magnetic Resonance in Medicine.
DEFF Research Database (Denmark)
Huang, Lei; Fantke, Peter; Jolliet, Olivier
2017-01-01
Indoor releases of organic chemicals encapsulated in solid materials are major contributors to human exposures and are directly related to the internal diffusion coefficient in solid materials. Existing correlations to estimate the diffusion coefficient are only valid for a limited number...... of chemical-material combinations. This paper develops and evaluates a quantitative property-property relationship (QPPR) to predict diffusion coefficients for a wide range of organic chemicals and materials. We first compiled a training dataset of 1103 measured diffusion coefficients for 158 chemicals in 32...... consolidated material types. Following a detailed analysis of the temperature influence, we developed a multiple linear regression model to predict diffusion coefficients as a function of chemical molecular weight (MW), temperature, and material type (adjusted R2 of 0.93). The internal validations showed...
Institute of Scientific and Technical Information of China (English)
REN Zhongqi; FEI Weiyang; Hans-Joerg Bart
2005-01-01
The Taylor dispersion method was used to measure diffusion coefficients of three-component liquid systems. An improved constrained nonlinear least-square method was used to evaluate the ternary diffusion coefficients directly by fitting the mathematical solutions of the dispersion equation to eluted solute peaks detected using a differential refractometer. Diffusion coefficients of the three-component system of acetone-benzene-CCl4, determined at 25℃, were used to test the procedure. The measured diffusion coefficients were compared with values obtained by optical interferometry and the diaphragm cell method. Ternary diffusion coefficients are also determinated for solutions of 1-hexanol-hexane-toluene and 1-propanol-water-ethylene glycol at 25℃, with an accuracy of approximately 0.05 m2·s-1.
Kujawa, Sebastian; Weres, Jerzy; Olek, Wiesław
2016-07-01
Uncertainties in mathematical modelling of water transport in cereal grain kernels during drying and storage are mainly due to implementing unreliable values of the water diffusion coefficient and simplifying the geometry of kernels. In the present study an attempt was made to reduce the uncertainties by developing a method for computer-aided identification of the water diffusion coefficient and more accurate 3D geometry modelling for individual kernels using original inverse finite element algorithms. The approach was exemplified by identifying the water diffusion coefficient for maize kernels subjected to drying. On the basis of the developed method, values of the water diffusion coefficient were estimated, 3D geometry of a maize kernel was represented by isoparametric finite elements, and the moisture content inside maize kernels dried in a thin layer was predicted. Validation of the results against experimental data showed significantly lower error values than in the case of results obtained for the water diffusion coefficient values available in the literature.
A 3-dimensional finite-difference method for calculating the dynamic coefficients of seals
Dietzen, F. J.; Nordmann, R.
1989-01-01
A method to calculate the dynamic coefficients of seals with arbitrary geometry is presented. The Navier-Stokes equations are used in conjunction with the k-e turbulence model to describe the turbulent flow. These equations are solved by a full 3-dimensional finite-difference procedure instead of the normally used perturbation analysis. The time dependence of the equations is introduced by working with a coordinate system rotating with the precession frequency of the shaft. The results of this theory are compared with coefficients calculated by a perturbation analysis and with experimental results.
Buzatu, D; Buzatu, F D; Albright, J G
2004-01-01
This paper presents, for ternary lysozyme-Na$_2$SO$_4$-water system, the thermodynamic data extracted from the measured values of four ternary diffusion coefficients and the Onsager reciprocal relations. The calculation for derivatives of solute chemical potentials with respect to solute molar concentrations was made using the method presented in \\cite{1}. This method is applicable to systems in which the molar concentration of one solute is very small compared to that of the other, like in our case. The approach is illustrated for the lysozyme chloride-Na$_2$SO$_4$-water system at 25$^o$ C, pH 4.5 and at 0.6 mM (8.6 mg/mL) lysozyme chloride and 0.1, 0.25, 0.5, 0.65, and 0.8 M Na$_2$SO$_4$ concentrations. The calculated solute chemical potential derivatives were used to compute the protein cation charge approximately. We also compute the diffusion Onsager coefficients $(L_{ij})_o$ for each composition at pH 4.5.
Measurements of diffusion coefficients of hydrogen in palladium by a galvanostatic permeation method
Energy Technology Data Exchange (ETDEWEB)
Bucur, R.V.
1985-01-01
A study by the galvanostatic permeation technique is reported which has derived reliable and repro ducible measurements of diffusion coefficients for hydrogen in palladium. A description is given o the thermostated electrochemical permeation cell. Hydrogen permeation rates have been determined on the detection side of a palladium membrane electrode (geometrical surface area 7.2 cm/sup 2/; thickness 5 x 10/sup -3/ cm) by measuring the anodic current I /SUB o/ under potentiostatic conditions. Measurements have been made of rising and decaying I /SUB o/ when the hydrogen entrance side of the membrane has been subjected to constant cathodic currents I/iota/ whic were subsequently interrupted after establishments of steady-state conditions. Semi-log plots of I..cap alpha.. against time have yielded reliable determinations of the hydrogen and deuterium diffusion coefficients D..mu.. and D /SUB D/ . Studies have been made of the influence on measurement of D /SUB H/ by alterations of I/iota/, surface roughness of the membrane, variations of electrolyte solution, surface contamination and temperature. Over the temperature range 5-50/sup 0/C equations representing the temperature dependence of the diffusion coefficients have been determined.
Comparative analyses of diffusion coefficients for different extraction processes from thyme
Directory of Open Access Journals (Sweden)
Petrovic Slobodan S.
2012-01-01
Full Text Available This work was aimed to analyze kinetics and mass transfer phenomena for different extraction processes from thyme (Thymus vulgaris L. leaves. Different extraction processes with ethanol were studied: Soxhlet extraction and ultrasound-assisted batch extraction on the laboratory scale as well as pilot plant batch extraction with mixing. The extraction processes with ethanol were compared to the process of supercritical carbon dioxide extraction performed at 10 MPa and 40°C. Experimental data were analyzed by mathematical model derived from the Fick’s second law to determine and compare diffusion coefficients in the periods of constant and decreasing extraction rate. In the fast extraction period, values of diffusion coefficients were one to three orders of magnitude higher compared to those determined for the period of slow extraction. The highest diffusion coefficient was reported for the fast extraction period of supercritical fluid extraction. In the case of extraction processes with ethanol, ultrasound, stirring and extraction temperature increase enhanced mass transfer rate in the washing phase. On the other hand, ultrasound contributed the most to the increase of mass transfer rate in the period of slow extraction.
Directory of Open Access Journals (Sweden)
Stefan Karlsson
2017-04-01
Full Text Available Monovalent cations enable efficient ion-exchange processes due to their high mobility in silicate glasses. Numerous properties can be modified in this way, e.g., mechanical, optical, electrical, or chemical performance. In particular, alkali cation exchange has received significant attention, primarily with respect to introducing compressive stress into the surface region of a glass, which increases mechanical durability. However, most of the present applications rely on specifically tailored matrix compositions in which the cation mobility is enhanced. This largely excludes the major area of soda-lime-silicates (SLS such as are commodity in almost all large-scale applications of glasses. Basic understanding of the relations between structural parameters and the effective diffusion coefficients may help to improve ion-exchanged SLS glass products, on the one hand in terms of obtainable strength and on the other in terms of cost. In the present paper, we discuss the trends in the effective diffusion coefficients when exchanging Na+ for various monovalent cations (K+, Cu+, Ag+, Rb+, and Cs+ by drawing relations to physicochemical properties. Correlations of effective diffusion coefficients were found for the bond dissociation energy and the electronic cation polarizability, indicating that localization and rupture of bonds are of importance for the ion-exchange rate.
Karlsson, Stefan; Wondraczek, Lothar; Ali, Sharafat; Jonson, Bo
2017-04-01
Monovalent cations enable efficient ion exchange processes due to their high mobility in silicate glasses. Numerous properties can be modified in this way, e.g., mechanical, optical, electrical or chemical performance. In particular, alkali cation exchange has received significant attention, primarily with respect to introducing compressive stress into the surface region of a glass, which increases mechanical durability. However, most of the present applications rely on specifically tailored matrix compositions in which the cation mobility is enhanced. This largely excludes the major area of soda lime silicates (SLS) such as are commodity in almost all large-scale applications of glasses. Basic understanding of the relations between structural parameters and the effective diffusion coefficients may help to improve ion-exchanged SLS glass products, on the one hand in terms of obtainable strength and on the other in terms of cost. In the present paper, we discuss the trends in the effective diffusion coefficients when exchanging Na+ for various monovalent cations (K+, Cu+, Ag+, Rb+ and Cs+) by drawing relations to physico-chemical properties. Correlations of effective diffusion coefficients were found for the bond dissociation energy and the electronic cation polarizability, indicating that localization and rupture of bonds are of importance for the ion exchange rate.
Rocco, Mattia; Byron, Olwyn
2015-09-01
Hydrodynamic characterisation of (bio)macromolecules is a well-established field. Observables linked to translational friction, such as the translational diffusion (Dt(0)(20,w)) and sedimentation (s(0)(20,w)) coefficients, are the most commonly used parameters. Both can be computed starting from high-resolution structures, with several methods available. We present here a comprehensive study of the performance of public-domain software, comparing the calculated Dt(0)(20,w) and s(0)(20,w) for a set of high-resolution structures (ranging in mass from 12,358 to 465,557 Da) with their critically appraised literature experimental counterparts. The methods/programs examined are AtoB, SoMo, BEST, Zeno (all implemented within the US-SOMO software suite) and HYDROPRO. Clear trends emerge: while all programs can reproduce Dt(0)(20,w) on average to within ±5% (range -8 to +7%), SoMo and AtoB slightly overestimate it (average +2 and +1%, range -2 to +7 and -4 to +5%, respectively), and BEST and HYDROPRO underestimate it slightly more (average -3 and -4%, range -7 to +2 and -8 to +2%, respectively). Similar trends are observed with s(0)(20,w), but the comparison is likely affected by the necessary inclusion of the partial specific volume in the computations. The somewhat less than ideal performances could result from the hydration treatment in BEST and HYDROPRO, and the bead overlap removal in SoMo and AtoB. Interestingly, a combination of SoMo overlapping bead models followed by Zeno computation produced better results, with a 0% average error (range -4 to +4%). Indeed, this might become the method of choice, once computational speed considerations now favouring the 5 Å-grid US-SOMO AtoB approach are overcome.
Coefficient of Thermal Diffusivity of Insulation Brick Developed from Sawdust and Clays
Directory of Open Access Journals (Sweden)
E. Bwayo
2014-01-01
Full Text Available This paper presents an experimental result on the effect of particle size of a mixture of ball clay, kaolin, and sawdust on thermal diffusivity of ceramic bricks. A mixture of dry powders of ball clay, kaolin of the same particle size, and sawdust of different particle sizes was mixed in different proportions and then compacted to high pressures before being fired to 950°C. The thermal diffusivity was then determined by an indirect method involving measurement of thermal conductivity, density, and specific heat capacity. The study reveals that coefficient of thermal diffusivity increases with decrease in particle size of kaolin and ball clay but decreases with increase in particle size of sawdust.
Mutual diffusion coefficient models for polymer-solvent systems based on the Chapman-Enskog theory
Directory of Open Access Journals (Sweden)
R. A. Reis
2004-12-01
Full Text Available There are numerous examples of the importance of small molecule migration in polymeric materials, such as in drying polymeric packing, controlled drug delivery, formation of films, and membrane separation, etc. The Chapman-Enskog kinetic theory of hard-sphere fluids with the Weeks-Chandler-Andersen effective hard-sphere diameter (Enskog-WCA has been the most fruitful in diffusion studies of simple fluids and mixtures. In this work, the ability of the Enskog-WCA model to describe the temperature and concentration dependence of the mutual diffusion coefficient, D, for a polystyrene-toluene system was evaluated. Using experimental diffusion data, two polymer model approaches and three mixing rules for the effective hard-sphere diameter were tested. Some procedures tested resulted in models that are capable of correlating the experimental data with the refereed system well for a solvent mass fraction greater than 0.3.
Determination of Concentration Dependent Diffusion Coefficients of Carbon in Expanded Austenite
DEFF Research Database (Denmark)
Hummelshøj, Thomas Strabo; Christiansen, Thomas; Somers, Marcel A. J.
2008-01-01
Abstract. In the present paper various experimental procedures to experimentally determine the concentration dependent diffusion coefficient of carbon in expanded austenite are evaluated. To this end thermogravimetric carburization was simulated for various experimental conditions and the evaluated...... composition dependent diffusivity of carbon derived from the simulated experiments was compared with the input data. The most promising procedure for an accurate determination is shown to be stepwise gaseous carburizing of thin foils in a gaseous atmosphere; the finer the stepsize, the more accurate...... the approximation of the diffusivity. Thermogravimetry was applied to continuously monitor the weight change of thin foils of AISI 316 during carburizing in CO-H2 gas mixtures for one of the simulated experimental procedures....
Energy Technology Data Exchange (ETDEWEB)
Tsili, Athina C., E-mail: a_tsili@yahoo.gr [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Sylakos, Anastasios, E-mail: anasylakos@yahoo.gr [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Ntorkou, Alexandra, E-mail: alexdorkou@yahoo.com [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Stavrou, Sotirios, E-mail: s.sotiris@yahoo.gr [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Astrakas, Loukas G., E-mail: astrakas@uoi.gr [Department of Medical Physics, Medical School, University of Ioannina, 45110 Ioannina (Greece); Sofikitis, Nikolaos, E-mail: akrosnin@hotmail.com [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Argyropoulou, Maria I., E-mail: margyrop@cc.uoi.gr [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece)
2015-07-15
Highlights: • Functional MRI in the characterization of testicular germ cell tumors was assessed. • ADC values proved useful in the characterization of testicular germ cell tumors. • Testicular germ cell tumors had similar enhancement patterns of dynamic MRI. - Abstract: Introduction: The aim of this study is to investigate the role of apparent diffusion coefficient (ADC) values and dynamic contrast enhancement (DCE) patterns in differentiating seminomas from nonseminomatous germ cell tumors (NSGCTs). Materials and methods: The MRI examinations of the scrotum of 26 men with histologically proven testicular GCTs were reviewed. DWI was performed in all patients, using a single shot, multi-slice spin-echo planar diffusion pulse sequence and b-values of 0 and 900 s/mm{sup 2}. Subtraction DCE-MRI was performed in 20 cases using a 3D fast-field echo sequence after gadolinium administration. Time-signal intensity curves were created and semi-quantitative parameters (peak enhancement, time to peak, wash-in and wash-out rate) were calculated. The Student's t-test was used to compare the mean values of ADC, peak enhancement, time to peak, wash-in and wash-out rate between seminomas and NSGCTs. ROC analysis was also performed. Results: Histopathology disclosed the presence of 15 seminomas and 11 NSGCTs. The mean ± s.d. of ADC values (× 10{sup −3} mm{sup 2}/s) of seminomas (0.59 ± 0.009) were significantly lower than those of NSGCTs (0.90 ± 0.33) (P = 0.01). The optimal ADC cut-off value was 0.68 × 10{sup −3} mm{sup 2}/s. No differences between the two groups were observed for peak enhancement (P = 0.18), time to peak (P = 0.63) wash-in rate (P = 0.32) and wash-out rate (P = 0.18). Conclusions: ADC values may be used to preoperatively differentiate seminomas from NSGCTs.
Aoki, T; Watanabe, A; Nitta, N; Numano, T; Fukushi, M; Niitsu, M
2012-09-01
Quantitative MR imaging techniques of degenerative cartilage have been reported as useful indicators of degenerative changes in cartilage extracellular matrix, which consists of proteoglycans, collagen, non-collagenous proteins, and water. Apparent diffusion coefficient (ADC) mapping of cartilage has been shown to correlate mainly with the water content of the cartilage. As the water content of the cartilage in turn correlates with its viscoelasticity, which directly affects the mechanical strength of articular cartilage, ADC can serve as a potentially useful indicator of the mechanical strength of cartilage. The aim of this study was to investigate the correlation between ADC and viscoelasticity as measured by indentation testing. Fresh porcine knee joints (n = 20, age 6 months) were obtained from a local abattoir. ADC of porcine knee cartilage was measured using a 3-Tesla MRI. Indentation testing was performed on an electromechanical precision-controlled system, and viscosity coefficient and relaxation time were measured as additional indicators of the viscoelasticity of cartilage. The relationship between ADC and viscosity coefficient as well as that between ADC and relaxation time were assessed. ADC was correlated with relaxation time and viscosity coefficient (R(2) = 0.75 and 0.69, respectively, p correlation between ADC and viscoelasticity in the superficial articular cartilage. Both molecular diffusion and viscoelasticity were higher in weight bearing than non-weight-bearing articular cartilage areas.
Minority carrier diffusion lengths and absorption coefficients in silicon sheet material
Dumas, K. A.; Swimm, R. T.
1980-01-01
Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.
Nazem-Zadeh, Mohammad-Reza; Davoodi-Bojd, Esmaeil; Soltanian-Zadeh, Hamid
2011-01-01
To develop an automatic atlas-based method for segmentation of fiber bundles using High Angular Resolution Diffusion Imaging (HARDI) data. Quantitative evaluation of diffusion characteristics inside specific fiber bundles provides new insights into disease developments, evolutions, therapy effects, and surgical interventions. Most of previous segmentation methods use similarity measures and strategies that do not lead to accurate segmentation results. They also suffer from subjectivity of initial seeds and regions of interest (ROI) defined by operator. We propose a novel method that uses Spherical Harmonic Coefficients (SHC) of HARDI diffusion signals to compute Orientation Distribution Function (ODF) and to extract Principal Diffusion Directions (PDDs). The proposed method selects most collinear PDD of neighbors of each voxel. Then, based on SHC and selected PDD, a similarity measure is proposed and used as a speed function in the level set framework that segments fiber bundles. To automate the process, an atlas-based method is used to select initial seeds for fiber bundles. To generate data for evaluation of the proposed method, an artificial pattern consisting of three crossing bundles intersected by a circular bundle is created. Also, two normal controls are imaged by two different HARDI protocols. Segmentation results for different fiber bundles in simulated data and normal control data are presented. Influence of threshold selection on the proposed segmentation method is evaluated using Dice coefficient. Also, effect of increasing the number of gradient directions on accuracy of extracted PDDs is evaluated. The proposed segmentation method has advantages over previous methods especially those that use similarity measures based on diffusion tensor imaging (DTI) data. These advantages are achieved by proper propagation of a hyper-surface in fiber crossing areas without making assumptions about diffusivity profile and selection of initial seeds or ROI. Copyright
Diffusion length variation and proton damage coefficients for InP/In(x)Ga(1-x)As/GaAs solar cells
Jain, R. K.; Weinberg, I.; Flood, D. J.
1993-01-01
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.
A model for calculating heat transfer coefficient concerning ethanol-water mixtures condensation
Wang, J. S.; Yan, J. J.; Hu, S. H.; Yang, Y. S.
2010-03-01
The attempt of the author in this research is made to calculate a heat transfer coefficient (HTC) by combining the filmwise theory with the dropwise notion for ethanol-water mixtures condensation. A new model, including ethanol concentration, vapor pressure and velocity, is developed by introducing a characteristic coefficient to combine the two mentioned-above theories. Under different concentration, pressure and velocity, the calculation is in comparison with experiment. It turns out that the calculation value is in good agreement with the experimental result; the maximal error is within ±30.1%. In addition, the model is applied to calculate related experiment in other literature and the values obtained agree well with results in reference.
Calculating the heat transfer coefficient of frame profiles with internal cavities
DEFF Research Database (Denmark)
Noyé, Peter Anders; Laustsen, Jacob Birck; Svendsen, Svend
2004-01-01
or by measurements in accordance to European or international standards. Comparing measured and calculated heat transfer coefficients for two typical frame profiles with cavities shows considerable differences. This investigation considers two typical frame profiles in aluminium and PVC with internal cavities....... The heat transfer coefficient is determined by two-dimensional numerical calculations and by measurements. Calculations are performed in Therm (LBNL (2001)), which is developed at Lawrence Berkeley National Laboratory, USA. The calculations are performed in accordance with the future European standards...... and measurements have been performed at two German research institutes. The internal cavities have a large influence on the overall thermal performance of the frame profiles and the investigation shows that the applied method for modelling the heat transfer by radiation exchange in the internal cavities...
Determination of H+ diffusion coefficient in the course of H+ response of a W/WO3 pH electrode
Institute of Scientific and Technical Information of China (English)
CHEN Dongchu; FU Zhaoyang; ZHENG Jiashen
2005-01-01
A W/WO3 pH electrode was prepared by a method of sol-gel. In order to study the H+ response dynamic mechanism, the electrochemical impedance spectroscopy (EIS) experiment was conducted. It was found that the H+ response course is controlled by the H+ diffusion from the solution to the WO3 film, based on the analysis of EIS spectra. The EIS and potential step method were used to determinate the H+ diffusion coefficient (D) in the course of H+ response of this W/WO3 electrode, and the values of D calculated by these two method correspond very well, which all are about 10-10 cm2/s.The imposed different potential steps make little effect on the calculation of H+ diffusion coefficient, and it was found that the limiting Cottrell equation of short elapsed time fits well to the current transient caused by a potential step, based on the analysis of the time constant.
Amiot, M N; Mesradi, M R; Chisté, V; Morin, M; Rigoulay, F
2012-09-01
The response of a Vacutec 70129 ionization chamber was calculated using the PENELOPE-2008 Monte Carlo code and compared to experimental data. The filling gas mixture composition and its pressure have been determined using IC simulated response adjustment to experimental results. The Monte Carlo simulation revealed a physical effect in the detector response to photons due to the presence of xenon in the chamber. A very good agreement is found between calculated and experimental calibration coefficients for 17 radionuclides.
Terui, Akira
2010-01-01
We present an extension of our GPGCD method, an iterative method for calculating approximate greatest common divisor (GCD) of univariate polynomials, to polynomials with the complex coefficients. For a given pair of polynomials and a degree, our algorithm finds a pair of polynomials which has a GCD of the given degree and whose coefficients are perturbed from those in the original inputs, making the perturbations as small as possible, along with the GCD. In our GPGCD method, the problem of approximate GCD is transfered to a constrained minimization problem, then solved with a so-called modified Newton method, which is a generalization of the gradient-projection method, by searching the solution iteratively. While our original method is designed for polynomials with the real coefficients, we extend it to accept polynomials with the complex coefficients in this paper.
Prudnikov, V. V.; Prudnikov, P. V.; Romanovskii, D. E.
2015-11-01
The Monte Carlo study of three-layer and spin-valve magnetic structures with giant magnetoresistance effects has been performed with the application of the Heisenberg anisotropic model to the description of the magnetic properties of thin ferromagnetic films. The dependences of the magnetic characteristics on the temperature and external magnetic field have been obtained for the ferromagnetic and antiferromagnetic configurations of these structures. A Monte Carlo method for determining the magnetoresistance coefficient has been developed. The magnetoresistance coefficient has been calculated for three-layer and spin-valve magnetic structures at various thicknesses of ferromagnetic films. It has been shown that the calculated temperature dependence of the magnetoresistance coefficient is in good agreement with experimental data obtained for the Fe(001)/Cr(001) multilayer structure and the CFAS/Ag/CFAS/IrMn spin valve based on the Co2FeAl0.5Si0.5 (CFAS) Heusler alloy.
Directory of Open Access Journals (Sweden)
Su Huaizhi
2012-01-01
Full Text Available The flexibility coefficient is popularly used to implement the macroevaluation of shape, safety, and economy for arch dam. However, the description of flexibility coefficient has not drawn a widely consensus all the time. Based on a large number of relative instance data, the relationship between influencing factor and flexibility coefficient is analyzed by means of partial least-squares regression. The partial least-squares regression equation of flexibility coefficient in certain height range between 30 m and 70 m is established. Regressive precision and equation stability are further investigated. The analytical model of statistical flexibility coefficient is provided. The flexibility coefficient criterion is determined preliminarily to evaluate the shape of low- and medium-sized arch dam. A case study is finally presented to illustrate the potential engineering application. According to the analysis result of partial least-squares regression, it is shown that there is strong relationship between flexibility coefficient and average thickness of dam, thickness-height ratio of crown cantilever, arc height ratio, and dam height, but the effect of rise-span ratio is little relatively. The considered factors in the proposed model are more comprehensive, and the applied scope is clearer than that of the traditional calculation methods. It is more suitable for the analogy analysis in engineering design and the safety evaluation for arch dam.
Sample Size Calculation for Estimating or Testing a Nonzero Squared Multiple Correlation Coefficient
Krishnamoorthy, K.; Xia, Yanping
2008-01-01
The problems of hypothesis testing and interval estimation of the squared multiple correlation coefficient of a multivariate normal distribution are considered. It is shown that available one-sided tests are uniformly most powerful, and the one-sided confidence intervals are uniformly most accurate. An exact method of calculating sample size to…
Sample Size Calculation for Estimating or Testing a Nonzero Squared Multiple Correlation Coefficient
Krishnamoorthy, K.; Xia, Yanping
2008-01-01
The problems of hypothesis testing and interval estimation of the squared multiple correlation coefficient of a multivariate normal distribution are considered. It is shown that available one-sided tests are uniformly most powerful, and the one-sided confidence intervals are uniformly most accurate. An exact method of calculating sample size to…
Calculation of transport coefficient profiles in modulation experiments as an inverse problem
Escande, D F
2011-01-01
The calculation of transport profiles from experimental measurements belongs in the category of inverse problems which are known to come with issues of ill-conditioning or singularity. A reformulation of the calculation, the matricial approach, is proposed for periodically modulated experiments, within the context of the standard advection-diffusion model where these issues are related to the vanishing of the determinant of a 2x2 matrix. This sheds light on the accuracy of calculations with transport codes, and provides a path for a more precise assessment of the profiles and of the related uncertainty.
Wang, Jinyang; Zhong, Haimin; Feng, Huajie; Qiu, Wenda; Chen, Liuping
2014-03-14
The binary infinite dilute diffusion coefficients, D₁₂(∞), of some alkylbenzenes (Ph-C(n), from Ph-H to Ph-C12) from 313 K to 333 K at 15 MPa in supercritical carbon dioxide (scCO2) 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(n)/CO2 fluids are further investigated by calculating radial distribution functions and coordination numbers. It qualitatively convinces that the first solvation shell of Ph-C(n) in scCO2 is significantly influenced by the structure of Ph-C(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(n) in scCO2. 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(n) is the result of internal rotation of C-C single bond (σ(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(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(n) (n ≥ 4) in scCO2 are different.
Calculating the heat transfer coefficient of frame profiles with internal cavities
DEFF Research Database (Denmark)
Noyé, Peter Anders; Laustsen, Jacob Birck; Svendsen, Svend
2004-01-01
or by measurements in accordance to European or international standards. Comparing measured and calculated heat transfer coefficients for two typical frame profiles with cavities shows considerable differences. This investigation considers two typical frame profiles in aluminium and PVC with internal cavities...... and measurements have been performed at two German research institutes. The internal cavities have a large influence on the overall thermal performance of the frame profiles and the investigation shows that the applied method for modelling the heat transfer by radiation exchange in the internal cavities...... correspondence between measured and calculated values. Hence, when determining the heat transfer coefficient of frame profiles with internal cavities by calculations, it is necessary to apply a more detailed radiation exchange model than described in the prEN ISO 10077-2 standard. The ISO-standard offers...
Usang, M. D.; Ivanyuk, F. A.; Ishizuka, C.; Chiba, S.
2016-10-01
Nuclear fission is treated by using the Langevin dynamical description with macroscopic and microscopic transport coefficients (mass and friction tensors), and it is elucidated how the microscopic (shell and pairing) effects in the transport coefficients, especially their dependence on temperature, affects various fission observables. We found that the microscopic transport coefficients, calculated by linear response theory, change drastically as a function of temperature: in general, the friction increases with growing temperature while the mass tensor decreases. This temperature dependence brings a noticeable change in the mass distribution and kinetic energies of fission fragments from nuclei around 236U at an excitation energy of 20 MeV. The prescission kinetic energy decreases from 25 MeV at low temperature to about 2.5 MeV at high temperature. In contrast, the Coulomb kinetic energy increases as the temperature increases. Interpolating the microscopic transport coefficients among the various temperatures enabled our Langevin equation to use the microscopic transport coefficients at a deformation-dependent local temperature of the dynamical evolution. This allowed us to compare directly the fission observables of both macroscopic and microscopic calculations, and we found almost identical results under the conditions considered in this work.
Mongrain, Rosaire; Faik, Isam; Leask, Richard L; Rodés-Cabau, Josep; Larose, Eric; Bertrand, Olivier F
2007-10-01
In the context of drug eluting stent, we present two-dimensional numerical models of mass transport of the drug in the wall and in the lumen to study the effect of the drug diffusion coefficients in the three principal media (blood, vascular wall, and polymer coating treated as a three-compartment problem) and the impact of different strut apposition configurations (fully embedded, half embedded, and not embedded). The different conditions were analyzed in terms of their consequence on the drug concentration distribution in the arterial wall. We apply the concept of the therapeutic window to the targeted vascular wall region and derive simple metrics to assess the efficiency of the various stent configurations. Although most of the drug is dispersed in the lumen, variations in the blood flow rate within the physiological range of coronary blood flow and the diffusivity of the drug molecule in the blood were shown to have a negligible effect on the amount of drug in the wall. Our results reveal that the amount of drug cumulated in the wall depends essentially on the relative values of the diffusion coefficients in the polymer coating and in the wall. Concerning the strut apposition, it is shown that the fully embedded strut configuration would provide a better concentration distribution.
Measurement of Retinalamin diffusion coefficient in human sclera by optical spectroscopy
Genina, Elina A.; Bashkatov, Alexey N.; Zubkova, Elena A.; Kamenskikh, Tatiana G.; Tuchin, Valery V.
2008-12-01
The use of cytomedines (such as Retinalamin) in clinical practice has shown high effectiveness of the medicaments in ophthalmology. The study of diffusion of Retinalamin in scleral tissue is important for estimation of a drug dose delivered into inner tissue of eye, time of drug action, etc. In vitro measurements of spectral reflectance of sclera interacting with aqueous solution of Retinalamin have been carried out. Ten human sclera samples were included in the study. The results of the experiments have shown that penetration of Retinalamin into scleral tissue leads to the decrease of scleral reflectance due to optical immersion. Estimation of diffusion coefficient of studied solution has been made on the basis of analysis of optical reflectance dynamics of the sclera samples. The diffusion coefficient of Retinalamin in human scleral tissue was evaluated as (1.82±0.14)×10 -6 cm 2/s. The results are important for treatment of partial optic atrophy observed at primary open-angle glaucoma and others eye diseases.
Evolution of the Magnetic Field Line Diffusion Coefficient and Non-Gaussian Statistics
Snodin, A. P.; Ruffolo, D.; Matthaeus, W. H.
2016-08-01
The magnetic field line random walk (FLRW) plays an important role in the transport of energy and particles in turbulent plasmas. For magnetic fluctuations that are transverse or almost transverse to a large-scale mean magnetic field, theories describing the FLRW usually predict asymptotic diffusion of magnetic field lines perpendicular to the mean field. Such theories often depend on the assumption that one can relate the Lagrangian and Eulerian statistics of the magnetic field via Corrsin’s hypothesis, and additionally take the distribution of magnetic field line displacements to be Gaussian. Here we take an ordinary differential equation (ODE) model with these underlying assumptions and test how well it describes the evolution of the magnetic field line diffusion coefficient in 2D+slab magnetic turbulence, by comparisons to computer simulations that do not involve such assumptions. In addition, we directly test the accuracy of the Corrsin approximation to the Lagrangian correlation. Over much of the studied parameter space we find that the ODE model is in fairly good agreement with computer simulations, in terms of both the evolution and asymptotic values of the diffusion coefficient. When there is poor agreement, we show that this can be largely attributed to the failure of Corrsin’s hypothesis rather than the assumption of Gaussian statistics of field line displacements. The degree of non-Gaussianity, which we measure in terms of the kurtosis, appears to be an indicator of how well Corrsin’s approximation works.
Lippmann-Pipke, J.; Gerasch, R.; Schikora, J.; Kulenkampff, J.
2017-04-01
The 3D diagonal anisotropic effective diffusion coefficient of Na+, Deff=(Dxx, Dyy, Dzz), was quantified in a clay material in one single experiment/simulation. That is possible due to the combination of the non-invasive observation of Na+ diffusion in Opalinus clay by means of GeoPET method (PET: positron emission tomography) followed by quantitative 3D+t data evaluation by means of the finite element numerical modelling (FEM). The extracted anisotropic effective diffusion coefficient parallel (||) and normal (⊥) to the bedding of the clay rock, Deff=(D||, D⊥, D||) are comparable to those obtained on earlier experimental studies in the same clay material but with different methods. We consider this study as benchmark for the long-standing development of our GeoPET method, that explicitly includes a resolute and physics based attenuation and Compton scatter correction algorithm (Kulenkampff, J., M. Gründig, A. Zakhnini and J. Lippmann-Pipke (2016). "Geoscientific process monitoring with positron emission tomography (GeoPET)." Solid Earth 7: 1217-1231). We suggest GeoPET based fluid flow transport visualization combined with computer based process simulation henceforth as a qualified way for the quantification of three-dimensional, effective transport parameters in geosciences.
Han, Xu; Suo, Shiteng; Sun, Yawen; Zu, Jinyan; Qu, Jianxun; Zhou, Yan; Chen, Zengai; Xu, Jianrong
2017-03-01
To compare four methods of region-of-interest (ROI) placement for apparent diffusion coefficient (ADC) measurements in distinguishing low-grade gliomas (LGGs) from high-grade gliomas (HGGs). Two independent readers measured ADC parameters using four ROI methods (single-slice [single-round, five-round and freehand] and whole-volume) on 43 patients (20 LGGs, 23 HGGs) who had undergone 3.0 Tesla diffusion-weighted imaging and time required for each method of ADC measurements was recorded. Intraclass correlation coefficients (ICCs) were used to assess interobserver variability of ADC measurements. Mean and minimum ADC values and time required were compared using paired Student's t-tests. All ADC parameters (mean/minimum ADC values of three single-slice methods, mean/minimum/standard deviation/skewness/kurtosis/the10(th) and 25(th) percentiles/median/maximum of whole-volume method) were correlated with tumor grade (low versus high) by unpaired Student's t-tests. Discriminative ability was determined by receiver operating characteristic curves. All ADC measurements except minimum, skewness, and kurtosis of whole-volume ROI differed significantly between LGGs and HGGs (all P value of single-round ROI had the highest effect size (0.72) and the greatest areas under the curve (0.872). Three single-slice methods had good to excellent ICCs (0.67-0.89) and the whole-volume method fair to excellent ICCs (0.32-0.96). Minimum ADC values differed significantly between whole-volume and single-round ROI (P = 0.003) and, between whole-volume and five-round ROI (P = 0.001). The whole-volume method took significantly longer than all single-slice methods (all P measurements are influenced by ROI determination methods. Whole-volume histogram analysis did not yield better results than single-slice methods and took longer. Mean ADC value derived from single-round ROI is the most optimal parameter for differentiating LGGs from HGGs. 3 J. Magn. Reson. Imaging 2017;45:722-730.
Song, L.; Balakrishnan, N.; Walker, K. M.; Stancil, P. C.; Thi, W. F.; Kamp, I.; van der Avoird, A.; Groenenboom, G. C.
2015-11-01
We present calculated rate coefficients for ro-vibrational transitions of CO in collisions with H atoms for a gas temperature range of 10 K ≤ T ≤ 3000 K, based on the recent three-dimensional ab initio H-CO interaction potential of Song et al. Rate coefficients for ro-vibrational v=1,j=0-30\\to v\\prime =0,j\\prime transitions were obtained from scattering cross sections previously computed with the close-coupling (CC) method by Song et al. Combining these with the rate coefficients for vibrational v=1-5\\to v\\prime \\lt v quenching obtained with the infinite-order sudden approximation, we propose a new extrapolation scheme that yields the rate coefficients for ro-vibrational v=2-5,j=0-30\\to v\\prime ,j\\prime de-excitation. Cross sections and rate coefficients for ro-vibrational v=2,j=0-30\\to v\\prime =1,j\\prime transitions calculated with the CC method confirm the effectiveness of this extrapolation scheme. Our calculated and extrapolated rates are very different from those that have been adopted in the modeling of many astrophysical environments. The current work provides the most comprehensive and accurate set of ro-vibrational de-excitation rate coefficients for the astrophysical modeling of the H-CO collision system. The application of the previously available and new data sets in astrophysical slab models shows that the line fluxes typically change by 20%-70% in high temperature environments (800 K) with an H/H2 ratio of 1; larger changes occur for lower temperatures.
Energy Technology Data Exchange (ETDEWEB)
Lovera, P.; Ferry, C.; Poinssot, Ch. [CEA Saclay, Dept. de Physico-Chimie (DPC), 91 - Gif sur Yvette (France); Johnson, L. [Nagra, Baden (Switzerland)
2003-07-01
This document corresponds to the deliverable D2 of the Work Package 1 of the 'Spent Fuel Stability under repository conditions' (SFS) European project. It constitutes a synthesis report on relevant diffusion coefficients of fission products and helium in spent nuclear fuels at high and low temperatures. Coefficients corresponding to thermally activated diffusion were reviewed from literature data for O, U (self-diffusion coefficients), fission gases and other fission products. Data showed that thermal diffusion was irrelevant at temperatures expected in repository conditions. The occurrence of diffusion enhanced by alpha self-irradiation was studied through different theoretical approaches. A 'best estimate' value of the alpha self-irradiation diffusion coefficient, D (m{sup 2}.s{sup -1}), is proposed. It is extrapolated from enhanced diffusion under irradiation observed in reactor and would be proportional to the volume alpha activity in the spent nuclear fuel, A{sub v} (Bq.m{sup -3}) as: D/A{sub v} {approx_equal} 2.10{sup -41} (m{sup 5})The migration of stable Pb in Oklo's uraninites was studied in order to validate the proposed diffusion coefficient. The obtained value is one order of magnitude higher than the theoretical proposed value. As for He behaviour in spent nuclear fuel, a few data are today available in open literature. The document will be completed as soon as new experimental results are available. (authors)
Panin, S. V.; Titkov, V. V.; Lyubutin, P. S.; Chemezov, V. O.; Eremin, A. V.
2016-11-01
Application of weight coefficients of the bilateral filter used to determine weighted similarity metrics of image ranges in optical flow computation algorithm that employs 3-dimension recursive search (3DRS) was investigated. By testing the algorithm applying images taken from the public test database Middlebury benchmark, the effectiveness of this weighted similarity metrics for solving the image processing problem was demonstrated. The necessity of matching the equation parameter values when calculating the weight coefficients aimed at taking into account image texture features was proved for reaching the higher noise resistance under the vector field construction. The adaptation technique which allows excluding manual determination of parameter values was proposed and its efficiency was demonstrated.
Energy Technology Data Exchange (ETDEWEB)
Roteta, M.; Baro, J.; Fernandez-Varea, J. M.; Salvat, F.
1994-07-01
The FORTRAN 77 code PHOTAC to compute photon attenuation coefficients of elements and compounds is described. The code is based on the semi analytical approximate atomic cross sections proposed by Baro et al. (1994). Photoelectric cross sections for coherent and incoherent scattering and for pair production are obtained as integrals of the corresponding differential cross sections. These integrals are evaluated, to a pre-selected accuracy, by using a 20-point Gauss adaptive integration algorithm. Calculated attenuation coefficients agree with recently compiled databases to within - 1%, in the energy range from 1 keV to 1 GeV. The complete source listing of the program PHOTAC is included. (Author) 14 refs.
Directory of Open Access Journals (Sweden)
Raul Bardaji
2016-03-01
Full Text Available A critical parameter to assess the environmental status of water bodies is the transparency of the water, as it is strongly affected by different water quality related components (such as the presence of phytoplankton, organic matter and sediment concentrations. One parameter to assess the water transparency is the diffuse attenuation coefficient. However, the number of subsurface irradiance measurements obtained with conventional instrumentation is relatively low, due to instrument costs and the logistic requirements to provide regular and autonomous observations. In recent years, the citizen science concept has increased the number of environmental observations, both in time and space. The recent technological advances in embedded systems and sensors also enable volunteers (citizens to create their own devices (known as Do-It-Yourself or DIY technologies. In this paper, a DIY instrument to measure irradiance at different depths and automatically calculate the diffuse attenuation Kd coefficient is presented. The instrument, named KdUINO, is based on an encapsulated low-cost photonic sensor and Arduino (an open-hardware platform for the data acquisition. The whole instrument has been successfully operated and the data validated comparing the KdUINO measurements with the commercial instruments. Workshops have been organized with high school students to validate its feasibility.
Diffusion Coefficients of L-arginine in Non-Newtonian Fluid%L-精氨酸在非牛顿流体中的扩散系数
Institute of Scientific and Technical Information of China (English)
朱春英; 马友光; 季喜燕
2008-01-01
L-Arginine is an important component of amino acid injection. Its diffusion in body fluid and blood is of key importance to understand drug diffusion and drug release. As a fundamental demand for study and being a considerably valuable reference for application, in this study, the diffusion coefficients of L-arginine in polyacryla-mide(PAM) aqueous solution used as non-Newtonian fluid similar to blood and body fluid were measured using a holographic interferometer. The effects of interaction among molecules and solution concentration on diffusion were analyzed and discussed, respectively. Based on the obstruction-scaling model, a novel modified model was presented for predicting diffusivity of solute in non-Newtonian fluid. Good agreement was achieved between the calculated value and the experimental data.
Energy Technology Data Exchange (ETDEWEB)
Shiva, Amir Houshang; Teasdale, Peter R., E-mail: p.teasdale@griffith.edu.au; Bennett, William W.; Welsh, David T.
2015-08-12
A systematic comparison of the diffusion coefficients of cations (Al, Cd, Co, Cu, Mn, Ni, Pb, Zn) and oxyanions (Al, As, Mo, Sb, V, W) in open (ODL) and restricted (RDL) diffusive layers used by the DGT technique was undertaken. Diffusion coefficients were measured using both the diffusion cell (D{sub cell}) method at pH 4.00 and the DGT time-series (D{sub DGT}) method at pH 4.01 and 7.04 (pH 8.30 was used instead of 7.04 for Al) using the Chelex-Metsorb mixed binding layer. The performance of Chelex-Metsorb as a new DGT binding layer for Al uptake was also evaluated for the first time. Reasonable agreement was observed between D{sub cell} and D{sub DGT} measurements for both ODL and RDL, except for V and W. The ratios of D{sub cell}/D{sub DGT} for V of 0.44 and 0.39, and for W of 0.66 and 0.63 with ODL and RDL respectively, were much lower due to the formation of a high proportion of polyoxometalate species at the higher concentrations required with the D{sub cell} measurements. This is the first time that D values have been reported for several oxyanions using RDL. Except for Al at pH 8.30 with ODL, all D{sub DGT} measurements were retarded relative to diffusion coefficients in water (D{sub W}) for both diffusive hydrogels. Diffusion in RDL was further retarded compared with ODL, for all elements (0.66–0.78) with both methods. However, the degree of retardation observed changed for cations and anions at each pH. At pH 7.04 cations had a slightly higher D{sub DGT} and oxyanions had a slightly lower D{sub DGT} than at pH 4.01 for both ODL and RDL. It is proposed that this is due to partial formation of acrylic acid functional groups (pK{sub a} ≈4.5), which would be fully deprotonated at pH 7.04 (negative) and mostly protonated at pH 4.01 (neutral). As Al changes from being cationic at pH 4.01 to anionic at pH 8.30 the results were more complex. - Highlights: • Determining elemental diffusion coefficients in open and restricted diffusive gels. • The DGT
National Research Council Canada - National Science Library
Kang, Yusuhn; Choi, Seung Hong; Kim, Young-Jae; Kim, Kwang Gi; Sohn, Chul-Ho; Kim, Ji-Hoon; Yun, Tae Jin; Chang, Kee-Hyun
2011-01-01
To explore the role of histogram analysis of apparent diffusion coefficient (ADC) maps based on entire tumor volume data in determining glioma grade and to evaluate the diagnostic performance of ADC maps at standard...
DEFF Research Database (Denmark)
Galliero, Guillaume; Medvedev, Oleg; Shapiro, Alexander
2005-01-01
Mutual diffusion in condensed phases is a theoretically and practically important subject of active research. One of the most rigorous and theoretically advanced approaches to the problem is a recently developed approach based on the concept of penetration lengths (Physica A 320 (2003) 211; Physi...... fluctuation theory and molecular dynamics scheme exhibit consistent trends and average deviations from experimental data around 10-20%. (c) 2004 Elsevier B.V. All rights reserved....... binary liquid mixtures of non-polar components that computed penetration lengths, for various temperatures and compositions, are consistent with those deduced from experiments in the framework of the formalism of the fluctuation theory. Moreover, the mutual diffusion coefficients obtained from a coupled...
Shiva, Amir Houshang; Teasdale, Peter R; Bennett, William W; Welsh, David T
2015-08-12
A systematic comparison of the diffusion coefficients of cations (Al, Cd, Co, Cu, Mn, Ni, Pb, Zn) and oxyanions (Al, As, Mo, Sb, V, W) in open (ODL) and restricted (RDL) diffusive layers used by the DGT technique was undertaken. Diffusion coefficients were measured using both the diffusion cell (Dcell) method at pH 4.00 and the DGT time-series (D(DGT)) method at pH 4.01 and 7.04 (pH 8.30 was used instead of 7.04 for Al) using the Chelex-Metsorb mixed binding layer. The performance of Chelex-Metsorb as a new DGT binding layer for Al uptake was also evaluated for the first time. Reasonable agreement was observed between D(cell) and D(DGT) measurements for both ODL and RDL, except for V and W. The ratios of D(cell)/D(DGT) for V of 0.44 and 0.39, and for W of 0.66 and 0.63 with ODL and RDL respectively, were much lower due to the formation of a high proportion of polyoxometalate species at the higher concentrations required with the D(cell) measurements. This is the first time that D values have been reported for several oxyanions using RDL. Except for Al at pH 8.30 with ODL, all D(DGT) measurements were retarded relative to diffusion coefficients in water (DW) for both diffusive hydrogels. Diffusion in RDL was further retarded compared with ODL, for all elements (0.66-0.78) with both methods. However, the degree of retardation observed changed for cations and anions at each pH. At pH 7.04 cations had a slightly higher D(DGT) and oxyanions had a slightly lower D(DGT) than at pH 4.01 for both ODL and RDL. It is proposed that this is due to partial formation of acrylic acid functional groups (pKa ≈4.5), which would be fully deprotonated at pH 7.04 (negative) and mostly protonated at pH 4.01 (neutral). As Al changes from being cationic at pH 4.01 to anionic at pH 8.30 the results were more complex.
Energy Technology Data Exchange (ETDEWEB)
Villaine, P. [Commissariat a l' Energie Atomique, 38 - Grenoble (France). Centre d' Etudes Nucleaires
1967-10-01
Uranium self diffusion in near-stoichiometric stabilized uranium monocarbide has been investigated in the temperature range 1450-2000 deg. C. A thin layer of {sup 235}UC was deposited onto the samples and the diffusion profiles were analyzed by both sectioning and alpha-spectrometry techniques. The variation with temperature of the self-diffusion coefficient can be expressed by the equation: D = 7.5 x 10{sup -5} exp [-(81 {+-} 10) kcal/mole / RT] Cm{sup 2} s{sup -1} The coefficient D decreases with increasing carbon content. Autoradiographs and profile analysis have evidenced a preferential grain-boundary diffusion at all temperatures and compositions investigated. This phenomenon was used for a study of grain-boundary migration and for the evaluation of grain-boundary diffusion coefficients. The activation energy thus derived is close to the volume diffusion activation energy. (author) [French] L'autodiffusion de l'uranium dans le monocarbure d'uranium de composition voisine de la stoechiometrie et stabilise par recuit prealable, a ete etudiee entre 1450 et 2000 deg. C par la methode du depot mince de traceur, suivie des techniques d'abrasion comptage et de spectrometrie alpha. La variation avec la temperature du coefficient d'autodiffusion peut s'ecrire: D = 7.5 x 10{sup -5} exp [-(81 {+-} 10) kcal/mole / RT] Cm{sup 2} s{sup -1} Le coefficient D decroit avec une augmentation de la teneur en carbone. L'observation d'autoradiographies et l'analyse de profils de diffusion ont mis en evidence l'importance d'une diffusion intergranulaire preferentielle pour toutes les compositions etudiees et a toutes les temperatures. Cette diffusion a egalement ete utilisee pour l'etude de la migration des joints de grains et pour le calcul approche du coefficient de diffusion mtergranulaire. L'energie d'activation ainsi determinee est voisine de celle correspondant a la diffusion volumique. (auteur)
A fast collocation method for a variable-coefficient nonlocal diffusion model
Wang, Che; Wang, Hong
2017-02-01
We develop a fast collocation scheme for a variable-coefficient nonlocal diffusion model, for which a numerical discretization would yield a dense stiffness matrix. The development of the fast method is achieved by carefully handling the variable coefficients appearing inside the singular integral operator and exploiting the structure of the dense stiffness matrix. The resulting fast method reduces the computational work from O (N3) required by a commonly used direct solver to O (Nlog N) per iteration and the memory requirement from O (N2) to O (N). Furthermore, the fast method reduces the computational work of assembling the stiffness matrix from O (N2) to O (N). Numerical results are presented to show the utility of the fast method.
Sterling, Sarah M; Allgeyer, Edward S; Fick, Jörg; Prudovsky, Igor; Mason, Michael D; Neivandt, David J
2013-06-25
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.
DEFF Research Database (Denmark)
Boesen, Lars; Chabanova, Elizaveta; Løgager, Vibeke
2015-01-01
PURPOSE: To evaluate the correlation between apparent diffusion coefficient measurements (ADCtumor and ADCratio ) and the Gleason score from radical prostatectomy specimens. MATERIALS AND METHODS: Seventy-one patients with clinically localized prostate cancer scheduled for radical prostatectomy...... correlated with the Gleason score from the prostatectomy specimens. RESULTS: The association between ADC measurements and Gleason score showed a significant negative correlation (P ... ) and 0.90 (ADCratio ) when discriminating Gleason score ≤7(3+4) from Gleason score ≥7(4+3). CONCLUSION: ADC measurements showed a significant correlation with tumor Gleason score at final pathology. The ADCratio demonstrated the best correlation compared to the ADCtumor value and radically improved...
Towards flavour-diffusion coefficient and electrical conductivity without ultraviolet contamination
Energy Technology Data Exchange (ETDEWEB)
Burnier, Y. [University of Bern, Institute for Theoretical Physics, Albert Einstein Center, Bern (Switzerland); Laine, M. [University of Bielefeld, Faculty of Physics, Bielefeld (Germany)
2012-02-15
By subtracting from a recent lattice measurement of the thermal vector-current correlator the known 5-loop vacuum contribution, we demonstrate that the remainder is small and shows no visible short-distance divergence. It can therefore in principle be subjected to model-independent analytic continuation. Testing a particular implementation, we obtain estimates for the flavour-diffusion coefficient (2{pi}TD>or similar 0.8) and electrical conductivity which are significantly smaller than previous results. Although systematic errors remain beyond control at present, some aspects of our approach could be of a wider applicability. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Dahmen, N.; Duelberg, A.; Schneider, G.M. (Bochum Univ. (Germany, F.R.). Lehrstuhl fuer Physikalische Chemie 2)
1990-03-01
Binary diffusion coefficient D{sub 12} in supercritical carbon dioxide were determined in a Supercritical Fluid Chromatography (SFC) apparatus by the peak broadening method (PBM). Some cyclic and linear ketones were investigated as a function of pressure between 9.5 and 18 MPa at about 314 K corresponding to densities form 513 to 820 kg m{sup -3}. The resulting D{sub 12} values are of the order of 10{sup -8} m{sup 2} s{sup -1} and lnD{sub 12} decreases about linearly with increasing density {rho} of the CO{sub 2}. (orig.).
Directory of Open Access Journals (Sweden)
Raseelo J. Moitsheki
2008-01-01
Full Text Available Lie point symmetry analysis is performed for an unsteady nonlinear heat diffusion problem modeling thermal energy storage in a medium with a temperature-dependent power law thermal conductivity and subjected to a convective heat transfer to the surrounding environment at the boundary through a variable heat transfer coefficient. Large symmetry groups are admitted even for special choices of the constants appearing in the governing equation. We construct one-dimensional optimal systems for the admitted Lie algebras. Following symmetry reductions, we construct invariant solutions.
Nesbitt, J. A.; Heckel, R. W.
1987-01-01
Interdiffusion in Ni-rich Ni-Cr-Al alloys is investigated experimentally after annealing at 1100 and 1200 C using gamma/gamma, gamma/gamma+beta, gamma/gamma+gamma prime, and gamma/gamma+alpha diffusion couples. The amount and location of Kirkendall porosity suggests that Al diffuses more rapidly than Cr which diffuses more rapidly than Ni in the gamma phase of Ni-Cr-Al alloys. The location and extent of maxima and minima in the concentration profiles of the diffusion couples indicate that both cross-term diffusion coefficients are positive. Measurements are also presented of the ternary interdiffusion coefficients of the gamma phase in the Ni-Cr-Al system. It is shown that the interdiffusion coefficients can be accurately predicted by using a ternary finite-difference interdiffusion model.
Calculation of Linear Damping Coefficients by Numerical Simulation of Steady State Experiments
Directory of Open Access Journals (Sweden)
arash Shadlaghani
2016-01-01
Full Text Available The aim of the present study is to investigate the superiority of steady tests simulations relative to the unsteady experiments, especially planar motion mechanism tests (PMM, for computing velocity-based hydrodynamics coefficients. Using CFD analysis, steady maneuvers including towing with drift and attack angles together with rotating arm tests are simulated in order to calculate the linear damping coefficients of a prototype submarine. Comparisons of the obtained results with available unsteady experimental results of the SUBOFF submarine show the reliability of the methods used in this paper. It also demonstrates the accuracy and simplicity of the present simulations due to the steady nature of simulations. In order to compute the linear damping coefficients, the simulations have been performed in small values of the attack and drift angles and angular velocities for the towing and rotating arm tests, respectively.
Energy Technology Data Exchange (ETDEWEB)
O' Flynn, Elizabeth A.M.; Morgan, Veronica A.; Giles, Sharon L. [Cancer Research UK and ESPSRC Cancer Imaging Centre, Clinical Magnetic Resonance Group, Surrey (United Kingdom); deSouza, Nandita M. [Royal Marsden NHS Foundation Trust, Clinical Magnetic Resonance Group, Institute of Cancer Research, Surrey (United Kingdom)
2012-07-15
To establish the reproducibility of apparent diffusion coefficient (ADC) measurements in normal fibroglandular breast tissue and to assess variation in ADC values with phase of the menstrual cycle and menopausal status. Thirty-one volunteers (13 premenopausal, 18 postmenopausal) underwent magnetic resonance twice (interval 11-22 days) using diffusion-weighted MRI. ADC{sub total} and a perfusion-insensitive ADC{sub high} (omitting b = 0) were calculated. Reproducibility and inter-observer variability of mean ADC values were assessed. The difference in mean ADC values between the two phases of the menstrual cycle and the postmenopausal breast were evaluated. ADC{sub total} and ADC{sub high} showed good reproducibility (r% = 17.6, 22.4). ADC{sub high} showed very good inter-observer agreement (kappa = 0.83). The intraclass correlation coefficients (ICC) were 0.93 and 0.91. Mean ADC values were significantly lower in the postmenopausal breast (ADC{sub total} 1.46 {+-} 0.3 x 10{sup -3} mm{sup 2}/s, ADC{sub high} 1.33 {+-} 0.3 x 10{sup -3} mm{sup 2}/s) compared with the premenopausal breast (ADC{sub total} 1.84 {+-} 0.26 x 10{sup -3} mm{sup 2}/s, ADC{sub high} 1.77 {+-} 0.26 x 10{sup -3} mm{sup 2}/s; both P < 0.001). No significant difference was seen in ADC values in relation to menstrual cycle (ADC{sub total} P = 0.2, ADC{sub high} P = 0.24) or between postmenopausal women taking or not taking oestrogen supplements (ADC{sub total} P = 0.6, ADC{sub high} P = 0.46). ADC values in fibroglandular breast tissue are reproducible. Lower ADC values within the postmenopausal breast may reduce diffusion-weighted contrast and have implications for accurately detecting tumours. (orig.)
Tang, M. J.; Cox, R. A.; Kalberer, M.
2014-09-01
Diffusion of gas molecules to the surface is the first step for all gas-surface reactions. Gas phase diffusion can influence and sometimes even limit the overall rates of these reactions; however, there is no database of the gas phase diffusion coefficients of atmospheric reactive trace gases. Here we compile and evaluate, for the first time, the diffusivities (pressure-independent diffusion coefficients) of atmospheric inorganic reactive trace gases reported in the literature. The measured diffusivities are then compared with estimated values using a semi-empirical method developed by Fuller et al. (1966). The diffusivities estimated using Fuller's method are typically found to be in good agreement with the measured values within ±30%, and therefore Fuller's method can be used to estimate the diffusivities of trace gases for which experimental data are not available. The two experimental methods used in the atmospheric chemistry community to measure the gas phase diffusion coefficients are also discussed. A different version of this compilation/evaluation, which will be updated when new data become available, is uploaded online (google.com/site/mingjintang/home/diffusion"target="_blank">https://sites.google.com/site/mingjintang/home/diffusion).
Xu, Jing; Zhang, Jianshun S; Liu, Xiaoyu; Gao, Zhi
2012-06-01
The partition and effective diffusion coefficients of formaldehyde were measured for three materials (conventional gypsum wallboard, "green" gypsum wallboard, and "green" carpet) under three relative humidity (RH) conditions (20%, 50%, and 70% RH). The "green" materials contained recycled materials and were friendly to environment. A dynamic dual-chamber test method was used. Results showed that a higher relative humidity led to a larger effective diffusion coefficient for two kinds of wallboards and carpet. The carpet was also found to be very permeable resulting in an effective diffusion coefficient at the same order of magnitude with the formaldehyde diffusion coefficient in air. The partition coefficient (K(ma)) of formaldehyde in conventional wallboard was 1.52 times larger at 50% RH than at 20% RH, whereas it decreased slightly from 50% to 70% RH, presumably due to the combined effects of water solubility of formaldehyde and micro-pore blocking by condensed moisture at the high RH level. The partition coefficient of formaldehyde increased slightly with the increase of relative humidity in "green" wallboard and "green" carpet. At the same relative humidity level, the "green" wallboard had larger partition coefficient and effective diffusion coefficient than the conventional wallboard, presumably due to the micro-pore structure differences between the two materials. The data generated could be used to assess the sorption effects of formaldehyde on building materials and to evaluate its impact on the formaldehyde concentration in buildings.
Litjens, G.J.S.; Hambrock, T.; Hulsbergen- van de Kaa, C.A.; Barentsz, J.O.; Huisman, H.J.
2012-01-01
Purpose: To determine the interpatient variability of prostate peripheral zone (PZ) apparent diffusion coefficient (ADC) and its effect on the assessment of prostate cancer aggressiveness. Materials and Methods: The requirement for institutional review board approval was waived. Intra- and
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...
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...
Wu, X; Reinikainen, P; Vanhanen, A; Kapanen, M; Vierikko, T; Ryymin, P; Hyödynmaa, S; Kellokumpu-Lehtinen, P-L
2017-01-01
To investigate whether diffusion-weighted imaging (DWI) apparent diffusion coefficient (ADC) correlates with prostate cancer aggressiveness and further to compare the diagnostic performance of ADC and normalized ADC (nADC: normalized to non-tumor tissue). Thirty pre-treatment patients (mean age, 69years; range: 59-78years) with prostate cancer underwent magnetic resonance imaging (MRI) examination, including DWI with three b values: 50, 400, and 800s/mm(2). Both ADC and nADC were correlated with the Gleason score obtained through transrectal ultrasound-guided biopsy. The tumor minimum ADC (ADCmin: the lowest ADC value within tumor) had an inverse correlation with the Gleason score (r=-0.43, Pcorrelated with the Gleason score (r=-0.52 and r=-0.55, P<0.01; respectively), and they were lower in patients with Gleason score 3+4 than those with Gleason score 3+3 (P<0.01; respectively). Receiver operating characteristic (ROC) analysis showed that the area under the ROC curve was 0.765, 0.818, or 0.833 for the ADCmin, nADCmin, or nADCmean; respectively, in differentiating between Gleason score 3+4 and 3+3 tumors. Tumor ADCmin, nADCmin, and nADCmean are useful markers to predict the aggressiveness of prostate cancer. Copyright © 2016 Éditions françaises de radiologie. Published by Elsevier Masson SAS. All rights reserved.
Tulipano, P. Karina; Millar, William S.; Imielinska, Celina; Liu, Xin; Rosiene, Joel; D'Ambrosio, Anthony L.
2006-03-01
Magnetic resonance (MR) imaging is an imaging modality that is used in the management and diagnosis of acute stroke. Common MR imaging techniques such as diffusion weighted imaging (DWI) and apparent diffusion coefficient maps (ADC) are used routinely in the diagnosis of acute infarcts. However, advances in radiology information systems and imaging protocols have led to an overload of image information that can be difficult to manage and time consuming. Automated techniques to assist in the identification of acute ischemic stroke can prove beneficial to 1) the physician by providing a mechanism for early detection and 2) the patient by providing effective stroke therapy at an early stage. We have processed DW images and ADC maps using a novel automated Relative Difference Map (RDM) method that was tailored to the identification and delineation of the stroke region. Results indicate that the technique can delineate regions of acute infarctions on DW images and ADC maps. A formal evaluation of the RDM algorithm was performed by comparing accuracy measurements between 1) expert generated ground truths with the RDM delineated DWI infarcts and 2) RDM delineated DWI infarcts with RDM delineated ADC infarcts. The accuracy measurements indicate that the RDM delineated DWI infarcts are comparable to the expert generated ground truths. The true positive volume fraction value (TPVF), between RDM delineated DWI and ADC infarcts, is nonzero for all cases with an acute infarct while the value for non-acute cases remains zero.
CALCULATION OF COEFFICIENT OF SHARING OCTANOL-WATER OF ORGANIC COMPOUNDS USING MOLECULAR DESCRIPTORS
Directory of Open Access Journals (Sweden)
B. Souyei
2010-12-01
Full Text Available A quantitative structure-property relationship (QSPR study is carried out to develop correlations that relate the molecular structures of organic compounds to their Octanol- Water partition coefficients, Kow , using molecular descriptors. The correlations are simple in application with good accuracy, which provide an easy, direct and relatively accurate way to calculate Kow. Such calculation gives us a model that gives results in remarkable correlation with the descriptors of blocks fragments of the atom-centered and functional groups (R2 = 0.949, δ = 0477 (R2 = 0.926,δ = 0,548 respectively.
Calculation of a plasma HgDyI{sub 3} transport coefficients
Energy Technology Data Exchange (ETDEWEB)
Hajji, S.; HadjSalah, S.; Benhalima, A.; Charrada, K. [IPEIM, Unité d' Etude des Milieux Ionisés et Réactifs, 5019 route de Kairouan Monastir (Tunisia); Zissis, G. [Laboratoire Plasma et Conversion d' Énergie, 118 rte Narbonne, Bât3R2, 31062 Toulouse (France)
2015-05-15
This work is devoted to the calculation of the chemical composition and transport coefficients of HgDyI{sub 3} plasmas in thermal equilibrium. These calculations are performed for pressures equal to 2MP and for temperatures varying from 1000 to 10 000 K. The thermal and electrical conductivity as well as viscosity have been computed as a function of temperature at different atomic ratios. The computational method proposed by Devoto from the classical formalism described by Hirschfelder et al. [Molecular Theory of Gases and Liquids (John Wiley and Sons, New York, 1954)] is used.
METHODOLOGY FOR CALCULATION OF HORIZONTAL WATER PERMEABILITY COEFFICIENT IN SOIL CAPILLARY BORDER
Directory of Open Access Journals (Sweden)
E. I. Michnevich
2011-01-01
Full Text Available The paper shows that for overall estimation of soil water permeability it is necessary to know a horizontal water permeability value of a soil capillary border in addition to coefficients of filtration and permeability. Relations allowing to determine soil permeability in the area of incomplete saturation, are given in the paper. For a fully developed capillary border some calculation formulae have been obtained in the form of algebraic polynomial versus soil grading (grain composition. These formulae allow to make more accurate calculations while designing and operating reclamation works.
Institute of Scientific and Technical Information of China (English)
肖吉; 陆九芳; 陈健; 李以圭
2003-01-01
The molecular dynamics (MD) was employed to simulate the diffusion coefficient of sodium chloride at infinite dilution in supercritical water from 703.2 K to 763.2 K and from 30 MPa to 45 MPa. Based on the simulated data and the Patel-Teja(PT) equation of state and the Liu-Ruckenstein equation, an equation for calculating the diffusion coefficient of NaCl at infinite dilution in supercritical water is proposed. Both the agreement between the simulated and correlated data, and that between the simulated and predicted data of diffusion coefficients for NaCl in supercritical water ranging from 703.2 K to 803.2 K and from 25 MPa to 50 MPa show that this equation is applicable for the calculation of diffusion coefficients.
Rosenkrantz, A.B.; Oei, M.T.H.; Babb, J.S.; Niver, B.E.; Taouli, B.
2011-01-01
PURPOSE: To compare single-shot echo-planar imaging (SS EPI) diffusion-weighted MRI (DWI) of abdominal organs between 1.5 Tesla (T) and 3.0T in healthy volunteers in terms of image quality, apparent diffusion coefficient (ADC) values, and ADC reproducibility. MATERIALS AND METHODS: Eight healthy vol
Driessen, Juliette P; van Bemmel, Xander; van Kempen, Pauline M. W.; Janssen, Luuk M; Terhaard, Chris H J; Pameijer, Frank A; Willems, Stefan M.; Stegeman, Inge; Grolman, Wilko; Philippens, Marielle E P
2016-01-01
Background Identification of prognostic patient characteristics in head and neck squamous cell carcinoma (HNSCC) is of great importance. Human papillomavirus (HPV)-positive HNSCCs have favorable response to (chemo)radiotherapy. Apparent diffusion coefficient, derived from diffusion-weighted MRI, has
Rosenkrantz, A.B.; Oei, M.T.H.; Babb, J.S.; Niver, B.E.; Taouli, B.
2011-01-01
PURPOSE: To compare single-shot echo-planar imaging (SS EPI) diffusion-weighted MRI (DWI) of abdominal organs between 1.5 Tesla (T) and 3.0T in healthy volunteers in terms of image quality, apparent diffusion coefficient (ADC) values, and ADC reproducibility. MATERIALS AND METHODS: Eight healthy
Rosenkrantz, A.B.; Oei, M.T.H.; Babb, J.S.; Niver, B.E.; Taouli, B.
2011-01-01
PURPOSE: To compare single-shot echo-planar imaging (SS EPI) diffusion-weighted MRI (DWI) of abdominal organs between 1.5 Tesla (T) and 3.0T in healthy volunteers in terms of image quality, apparent diffusion coefficient (ADC) values, and ADC reproducibility. MATERIALS AND METHODS: Eight healthy vol
Use of SCALE Continuous-Energy Monte Carlo Tools for Eigenvalue Sensitivity Coefficient Calculations
Energy Technology Data Exchange (ETDEWEB)
Perfetti, Christopher M [ORNL; Rearden, Bradley T [ORNL
2013-01-01
The TSUNAMI code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, such as quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the development of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The CLUTCH and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in the CE KENO framework to generate the capability for TSUNAMI-3D to perform eigenvalue sensitivity calculations in continuous-energy applications. This work explores the improvements in accuracy that can be gained in eigenvalue and eigenvalue sensitivity calculations through the use of the SCALE CE KENO and CE TSUNAMI continuous-energy Monte Carlo tools as compared to multigroup tools. The CE KENO and CE TSUNAMI tools were used to analyze two difficult models of critical benchmarks, and produced eigenvalue and eigenvalue sensitivity coefficient results that showed a marked improvement in accuracy. The CLUTCH sensitivity method in particular excelled in terms of efficiency and computational memory requirements.
Institute of Scientific and Technical Information of China (English)
ZHAOYechun; XIHongxia; 等
1999-01-01
The parameter identification model is proposed for determining the linear adsorption isotherms and the solid diffusion coefficients by using adsorption chromatorgaphy.Axial dispersion coefficients is firstly determined by pulse-respond experiment technique with an inert substance as tracer,then the elution curves of chromatography separating the isomer mannitol and sorbitol are determined by the chromatographic measuring technique,and pinally the adsorption isotherms and the solid diffusion coefficients of mannitol and sorbitol on Ca2+ resins are estimated by using this model.The results show that the axial dispersion coefficients increase with fluid velocity increasing,The adsorption equilibrium constants decrease with temperature rising;and the solid diffusion coefficients increase with temperature rising.The theoretical elution curves are good agreement with the experimental elution curves of the liquid adsorption chromatography separating the mannitol and the sorbitol.The model provides a simple and reliable procedure to estimate the kinetic and thermodynamic parmeters of the adsorption.
Indian Academy of Sciences (India)
BHARDWAJ S B; SINGH RAM MEHAR; SHARMA KUSHAL; MISHRA S C
2016-06-01
Attempts have been made to explore the exact periodic and solitary wave solutions of nonlinear reaction diffusion (RD) equation involving cubic–quintic nonlinearity along with timedependent convection coefficients. Effect of varying model coefficients on the physical parameters of solitary wave solutions is demonstrated. Depending upon the parametric condition, the periodic,double-kink, bell and antikink-type solutions for cubic–quintic nonlinear reaction-diffusion equation are extracted. Such solutions can be used to explain various biological and physical phenomena.
大西, 泰史
2017-01-01
The purpose of this study is to perform to earth pressure coefficient calculation simulation using the Distinct Element Method (DEM). Earth pressure theory has been established since long ago and is still in use. Therefore, simulation based on Coulomb and Rankine's theory of earth pressure is carried out to confirm usability of DEM. As a result of the static earth pressure coefficient calculation simulation, good results were obtained. However, in the passive earth pressure coefficient calcul...
Priola, Adriano Massimiliano; Priola, Sandro Massimo; Gned, Dario; Giraudo, Maria Teresa; Brundu, Maria; Righi, Luisella; Veltri, Andrea
2017-09-01
To assess intra- and interobserver variability in the apparent diffusion coefficient (ADC) measurements of pleural abnormalities. Diffusion-weighted magnetic resonance imaging was performed in 34 patients to characterize pleural abnormalities, with a 1.5T unit at b values of 0/150/500/800 sec/mm(2) . In two sessions held 3 months apart, on perfusion-free ADC maps, two independent readers measured the ADC of pleural abnormalities (two readings for each reader in each case) using different methods of region-of-interest (ROI) positioning. In three methods, freehand ROIs were drawn within tumor boundaries to encompass the entire lesion on one or more axial slices (whole tumor volume [WTV], three slices observer-defined [TSOD], single-slice [SS]), while in two methods one or more ROIs were placed on the more restricted areas (multiple small round ROI [MSR], one small round ROI [OSR]). Measurement variability between readings by each reader (intraobserver repeatability) and between readers in first reading (interobserver repeatability) were assessed using intraclass correlation coefficient (ICC) and coefficient of variation (CoV). Analysis of variance (ANOVA) was performed to compare ADC values between the different methods. The measurement time of each case for all methods in first reading was recorded and compared between methods and readers. All methods demonstrated good (MSR, OSR) and excellent (WTV, TSOD, SS) intra- and interreader agreement, with best and worst repeatability in WTV (lower ICC, 0.977; higher CoV, 3.5%) and OSR (lower ICC, 0.625; higher CoV, 22.8%), respectively. The lower 95% confidence interval of ICC resulted in fair to moderate agreement for OSR (up to 0.379) and in excellent agreement for WTV, TSV, and SS (up to 0.918). ADC values of OSR and MSR were significantly lower compared to other methods (P < 0.001). The OSR and SS required less measurement time (10 and 21/22 sec, respectively) compared to the others (P < 0.0001), while the WTV required
Energy Technology Data Exchange (ETDEWEB)
Bernardin, L.; Douglas, N.H.M.; Collins, D.J.; Giles, S.L.; O' Flynn, E.A.M.; Orton, M.; DeSouza, N.M. [Institute of Cancer Research and Royal Marsden NHS Foundation Trust, CRUK and EPSRC Cancer Imaging Centre, Surrey (United Kingdom)
2014-02-15
To establish repeatability of apparent diffusion coefficients (ADCs) acquired from free-breathing diffusion-weighted magnetic resonance imaging (DW-MRI) in malignant lung lesions and investigate effects of lesion size, location and respiratory motion. Thirty-six malignant lung lesions (eight patients) were examined twice (1- to 5-h interval) using T1-weighted, T2-weighted and axial single-shot echo-planar DW-MRI (b = 100, 500, 800 s/mm{sup 2}) during free-breathing. Regions of interest around target lesions on computed b = 800 s/mm{sup 2} images by two independent observers yielded ADC values from maps (pixel-by-pixel fitting using all b values and a mono-exponential decay model). Intra- and inter-observer repeatability was assessed per lesion, per patient and by lesion size (> or <2 cm) or location. ADCs were similar between observers (mean ± SD, 1.15 ± 0.28 x 10{sup -3} mm{sup 2}/s, observer 1; 1.15 ± 0.29 x 10{sup -3} mm{sup 2}/s, observer 2). Intra-observer coefficients of variation of the mean [median] ADC per lesion and per patient were 11 % [11.4 %], 5.7 % [5.7 %] for observer 1 and 9.2 % [9.5 %], 3.9 % [4.7 %] for observer 2 respectively; inter-observer values were 8.9 % [9.3 %] (per lesion) and 3.0 % [3.7 %] (per patient). Inter-observer coefficient of variation (CoV) was greater for lesions <2 cm (n = 20) compared with >2 cm (n = 16) (10.8 % vs 6.5 % ADC{sub mean}, 11.3 % vs 6.7 % ADC{sub median}) and for mid (n = 14) vs apical (n = 9) or lower zone (n = 13) lesions (13.9 %, 2.7 %, 3.8 % respectively ADC{sub mean}; 14.2 %, 2.8 %, 4.7 % respectively ADC{sub median}). Free-breathing DW-MRI of whole lung achieves good intra- and inter-observer repeatability of ADC measurements in malignant lung tumours. (orig.)
Apparent diffusion coefficient in glioblastoma with PNET-like components, a GBM variant.
Ali, Saad; Joseph, Nancy M; Perry, Arie; Barajas, Ramon F; Cha, Soonmee
2014-09-01
Glioblastoma (GBM) with primitive neuroectodermal tumor (PNET)-like (GBM-PNET) components is a rare variant of GBM. Recent studies describe PNET-like clinical behavior in these patients-with significantly increased propensity for CSF dissemination and a benefit of "PNET-like" chemotherapy. The imaging appearance of GBM-PNET is not well-described and given areas of marked cellularity in the PNET components one might expect significantly reduced diffusion on MRI. The purpose of this study is to quantitatively evaluate the diffusion characteristics in GBM-PNET and compare them with conventional GBMs. Nine patients with surgical specimens yielding GBM-PNET were identified from the UCSF Pathology files. MR images of these patients were reviewed retrospectively. DWI (diffusion-weighted imaging) sequences were analyzed with multiple regions of interests placed within the tumor, and ADC (apparent diffusion coefficient) values were measured. Results were compared to previously published ADC values in pathology-proven conventional GBM cases from our institution. Reduced ADC was seen in GBM-PNET (mean 581 × 10(-6) mm(2)/s, range 338-817) compared to previously published mean of 1,030 × 10(-6) mm(2)/s in the enhancing components of conventional GBMs. We report substantially reduced ADC values in GBM-PNETs compared to conventional GBMs. If demonstrated in a larger sample, when areas of marked reduced diffusion are seen in a suspected GBM, MRI may appropriately direct tissue sampling and can advocate a thorough search for PNET-like components on histopathology. These patients may have a higher chance of developing CSF dissemination and may benefit from "PNET-like" platinum-based chemotherapy.
Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach
Shamloo, Amir; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria
2016-07-01
Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted.
Energy Technology Data Exchange (ETDEWEB)
Zhaoyuan Liu; Kord Smith; Benoit Forget; Javier Ortensi
2016-05-01
A new method for computing homogenized assembly neutron transport cross sections and dif- fusion coefficients that is both rigorous and computationally efficient is proposed in this paper. In the limit of a homogeneous hydrogen slab, the new method is equivalent to the long-used, and only-recently-published CASMO transport method. The rigorous method is used to demonstrate the sources of inaccuracy in the commonly applied “out-scatter” transport correction. It is also demonstrated that the newly developed method is directly applicable to lattice calculations per- formed by Monte Carlo and is capable of computing rigorous homogenized transport cross sections for arbitrarily heterogeneous lattices. Comparisons of several common transport cross section ap- proximations are presented for a simple problem of infinite medium hydrogen. The new method has also been applied in computing 2-group diffusion data for an actual PWR lattice from BEAVRS benchmark.
The relationship between mean channel selection and the calculated coefficient of variation.
Schuette, W H; Carducci, E; Marti, G E; Shackney, S E; Eden, M
1985-09-01
Calculated coefficients of variation (CV) taken from the quotient of the standard deviation (S.D.) and the mean value of measured distributions are often used as an indicator of system performance in linear flow cytometry (FCM). The ability of the calculated CV to estimate the true CV of the underlying experiment before grouping (channelization) is dependent on the relationship between the width of the data channels and the magnitude of the S.D. of the measured distribution. When the channel width is equal to the S.D. of a distribution, the calculated CV is approximately 20% larger than the true CV of an experiment. By the time the S.D. is only one-half of a channel width, the calculated CV is unreliable. When the distribution S.D. is narrower than a channel's width, small changes in the distribution mean value will cause large variations in the calculated CV. As the true CV decreases, the calculation must be made with higher mean channel values. This dependence of calculated CV accuracy upon the relationship between S.D. and channel width places limitations upon mean channel selection that must be considered when using CV calculations for evaluating system performance, especially when looking for small improvements during optical alignment procedures. When an instrument is assumed to have a constant CV and the data are collected linearly, it is possible to improve the CV estimation accuracy by placing distributions in higher-numbered channels.(ABSTRACT TRUNCATED AT 250 WORDS)
In-situ estimate of submesoscale horizontal eddy diffusion coefficients across a front
Nencioli, Francesco; d'Ovidio, Francesco; Doglioli, Andrea; Petrenko, Anne
2013-04-01
Fronts, jets and eddies are ubiquitous features of the world oceans, and play a key role in regulating energy budget, heat transfer, horizontal and vertical transport, and biogeochemical processes. Although recent advances in computational power have favored the analysis of mesoscale and submesoscale dynamics from high-resolution numerical simulations, studies from in-situ observations are still relatively scarce. The small dimensions and short duration of such structures still pose major challenges for fine-scale dedicated field experiments. As a consequence, in-situ quantitative estimates of key physical parameters for high-resolution numerical models, such as horizontal eddy diffusion coefficients, are still lacking. The Latex10 campaign (September 1-24, 2010), within the LAgrangian Transport EXperiment (LATEX), adopted an adaptive sampling strategy that included satellite data, ship-based current measurements, and iterative Lagrangian drifter releases to successfully map coherent transport structures in the western Gulf of Lion. Comparisons with AVHRR imagery evidenced that the detected structures were associated with an intense frontal feature, originated by the convergence and subsequent stirring of colder coastal waters with warmer open-sea waters. We present a method for computing horizontal eddy diffusion coefficients by combining the stirring rates estimated from the Lagrangian drifter trajectories with the shapes of the surface temperature and salinity gradient (assumed to be at the equilibrium) from the ship thermosalinograph. The average value we obtained from various sections across the front is 2.5 m2s-1, with horizontal scales (width of the front) ranging between 0.5 and 2.5 km. This is in line with the values commonly used for high-resolution numerical simulations. Further field experiment will be required to extend the results to different ocean regions and regimes, and to thoroughly test the robustness of the equilibrium hypothesis. Remote sensed
Institute of Scientific and Technical Information of China (English)
Hong Lu; Xiaoyan Lei
2014-01-01
After traumatic brain injury, vasogenic and cytotoxic edema appear sequentially on the in-volved side. Neuroimaging investigations of edema on the injured side have employed apparent diffusion coefficient measurements in diffusion tensor imaging. We investigated the changes occurring on the injured and uninjured sides using diffusion tensor imaging/apparent diffusion coefficient and histological samples in rats. We found that, on the injured side, that vasogen-ic edema appeared at 1 hour and intracellular edema appeared at 3 hours. Mixed edema was observed at 6 hours, worsening until 12-24 hours post-injury. Simultaneously, microglial cells proliferated at the trauma site. Apparent diffusion coefficient values increased at 1 hour, decreased at 6 hours, and increased at 12 hours. The uninjured side showed no significant pathological change at 1 hour after injury. Cytotoxic edema appeared at 3 hours, and vasogen-ic edema was visible at 6 hours. Cytotoxic edema persisted, but vasogenic edema tended to decrease after 12-24 hours. Despite this complex edema pattern on the uninjured side with associated pathologic changes, no significant change in apparent diffusion coefficient values was detected over the first 24 hours. Apparent diffusion coefficient values accurately detected the changes on the injured side, but did not detect the changes on the uninjured side, giving a false-negative result.
Energy Technology Data Exchange (ETDEWEB)
Littooij, Annemieke S. [University Medical Centre Utrecht, Department of Radiology, Utrecht (Netherlands); Humphries, Paul D. [Great Ormond Street Hospital for Children, Department of Radiology, London (United Kingdom); University College London Hospital, Department of Radiology, London (United Kingdom); Olsen, Oeystein E. [Great Ormond Street Hospital for Children, Department of Radiology, London (United Kingdom)
2015-10-15
The apparent diffusion coefficient (ADC) is potentially useful for assessing treatment response in nephroblastoma (Wilms tumour). However the precision of ADC measurements in these heterogeneous lesions is unknown. To assess intra- and interobserver variability of whole-tumour ADC measurements in viable parts of nephroblastomas at diagnosis and after preoperative chemotherapy. We included children with histopathologically proven nephroblastoma who had undergone MRI with diffusion-weighted imaging before and after preoperative chemotherapy. Three independent observers performed whole-tumour ADC measurements of all lesions, excluding non-enhancing areas. One observer evaluated all lesions on two occasions. We performed analyses using Bland-Altman plots and concordance correlation coefficient (CCC) calculations with 95% limits of agreement for median ADC, difference between pre- and post-chemotherapy median ADC (ADC shift) and percentage of pixels with ADC values <1.0 x 10{sup -3} mm{sup 2}/s. In 22 lesions (13 pretreatment and 9 post-treatment) in 10 children the interobserver variability in median ADC and ADC shift were within the interval of approximately ±0.1 x 10{sup -3} mm{sup 2}/s (limits of agreement for median ADC ranged -0.08-0.11 x 10{sup -3} mm{sup 2}/s and for ADC-shift -0.11-0.09 x 10{sup -3} mm{sup 2}/s). The interobserver variability for percentage of low-ADC pixels was larger and also biased. The calculated CCC confirmed good intra- and interobserver agreement (ρ-c ranging from 0.968 to 0.996). Measurements of whole-tumour ADC values excluding necrotic areas seem to be sufficiently precise for detection of chemotherapy-related change. (orig.)
On a nonlinear degenerate parabolic transport-diffusion equation with a discontinuous coefficient
Directory of Open Access Journals (Sweden)
John D. Towers
2002-10-01
Full Text Available We study the Cauchy problem for the nonlinear (possibly strongly degenerate parabolic transport-diffusion equation $$ partial_t u + partial_x (gamma(xf(u=partial_x^2 A(u, quad A'(cdotge 0, $$ where the coefficient $gamma(x$ is possibly discontinuous and $f(u$ is genuinely nonlinear, but not necessarily convex or concave. Existence of a weak solution is proved by passing to the limit as $varepsilondownarrow 0$ in a suitable sequence ${u_{varepsilon}}_{varepsilon>0}$ of smooth approximations solving the problem above with the transport flux $gamma(xf(cdot$ replaced by $gamma_{varepsilon}(xf(cdot$ and the diffusion function $A(cdot$ replaced by $A_{varepsilon}(cdot$, where $gamma_{varepsilon}(cdot$ is smooth and $A_{varepsilon}'(cdot>0$. The main technical challenge is to deal with the fact that the total variation $|u_{varepsilon}|_{BV}$ cannot be bounded uniformly in $varepsilon$, and hence one cannot derive directly strong convergence of ${u_{varepsilon}}_{varepsilon>0}$. In the purely hyperbolic case ($A'equiv 0$, where existence has already been established by a number of authors, all existence results to date have used a singular maolinebreak{}pping to overcome the lack of a variation bound. Here we derive instead strong convergence via a series of a priori (energy estimates that allow us to deduce convergence of the diffusion function and use the compensated compactness method to deal with the transport term. Submitted April 29, 2002. Published October 27, 2002. Math Subject Classifications: 35K65, 35D05, 35R05, 35L80 Key Words: Degenerate parabolic equation; nonconvex flux; weak solution; discontinuous coefficient; viscosity method; a priori estimates; compensated compactness
Effect of region of interest on interobserver variance in apparent diffusion coefficient measures.
Bilgili, Yasemin; Unal, Birsen
2004-01-01
Apparent diffusion coefficient (ADC) values derived from diffusion-weighted MR imaging are useful measurements for assessment of cellular alterations in pathologic conditions of the brain. In this study, two radiologists independently quantitated ADCs and region-of interest sizes in prespecified locations of human brain to test interobserver ADC variance and the effect of varying ROI sizes on ADC differences. Twenty-seven patients with normal MR findings underwent diffusion-weighted imaging (b value = 1000 s/mm(2)) on a 1.5-T system. Two radiologists independently placed two ROI areas of 22 +/- 5 mm(2) and 62 +/- 6 mm(2) (former area inside the latter area) at different sites of the brain (centrum semiovale, frontal white matter, nucleus caudatus, putamen, thalamus, substantia nigra, red nucleus, and pons) from trace images. Differences in ADC measurement obtained from each region of the brain for each radiologist and the size of each ROI were compared statistically. Mean ADC of prespecified areas of brain ranged between 0.673 and 0.818 mm(2)/s x10(-3). Interobserver variance was significant in some of the specified areas (centrum semiovale, frontal white matter, pons, substantia nigra, and red nucleus). Varying ROI sizes at the pons, substantia nigra, and red nucleus yielded statistically different ADC values. ADC values are found to be unreliable for use in assessing brain disease in some specified areas of the brain owing to interobserver variance and different ROI sizes.
Drag and diffusion coefficient of a spherical particle attached to a fluid interface
Hardt, Steffen; Doerr, Aaron; Masoud, Hassan; Stone, Howard
2015-11-01
We consider a spherical particle attached to the interface between two immiscible fluids of large viscosity contrast. The degree of immersion in the two fluids is determined by the contact angle. For small enough particles and significant contact-angle hysteresis, it can be assumed that the three-phase contact line is pinned at the particle surface. We study the movement of such particles along the fluid interface for the case of small Reynolds and capillary numbers. We solve the Stokes equation based on two geometric perturbation expansions around contact angles of 90 degrees and 180 degrees, the latter corresponding to a particle completely immersed in the less viscous phase. Based on the Lorentz Reciprocity Theorem we obtain expressions for the drag coefficient of an interfacial particle which are analogs of the well-known Stokes drag coefficient for a particle moving in an unbounded medium. Interpolation of the two results gives a relationship which approximates the drag coefficient quite accurately over the entire range of contact angles. A comparison with previously published numerical results for contact angles below 90 degrees shows good agreement. Using the fluctuation-dissipation theorem, we also obtain expressions for the diffusion constant of a small particle attached to a fluid interface.
A non-perturbative estimate of the heavy quark momentum diffusion coefficient
Francis, A; Laine, M; Neuhaus, T; Ohno, H
2015-01-01
We estimate the momentum diffusion coefficient of a heavy quark within a pure SU(3) plasma at a temperature of about 1.5Tc. Large-scale Monte Carlo simulations on a series of lattices extending up to 192^3*48 permit us to carry out a continuum extrapolation of the so-called colour-electric imaginary-time correlator. The extrapolated correlator is analyzed with the help of theoretically motivated models for the corresponding spectral function. Evidence for a non-zero transport coefficient is found and, incorporating systematic uncertainties reflecting model assumptions, we obtain kappa = (1.8 - 3.4)T^3. This implies that the "drag coefficient", characterizing the time scale at which heavy quarks adjust to hydrodynamic flow, is (1.8 - 3.4) (Tc/T)^2 (M/1.5GeV) fm/c, where M is the heavy quark kinetic mass. The results apply to bottom and, with somewhat larger systematic uncertainties, to charm quarks.
Ayatollahi, Majid R.; Moazzami, Mostafa
2017-03-01
The digital image correlation (DIC) method is used to obtain the coefficients of higher-order terms in the Williams expansion in a compact tension (CT) specimens made of polymethyl methacrylate (PMMA). The displacement field is determined by the correlation between reference image (i.e., before deformation) and deformed image. The part of displacements resulting from rigid body motion and rotation is eliminated from the displacement field. For a large number of points in the vicinity of the crack tip, an over-determined set of simultaneous linear equations is collected, and by using the fundamental concepts of the least-squares method, the coefficients of the Williams expansion are calculated for pure mode I conditions. The experimental results are then compared with the numerical results calculated by finite element method (FEM). Very good agreement is shown to exist between the DIC and FE results confirming the effectiveness of the DIC technique in obtaining the coefficients of higher order terms of Williams series expansion from the displacement field around the crack tip.
Park, Eun Kyung; Cho, Kyu Ran; Seo, Bo Kyoung; Woo, Ok Hee; Cho, Sung Bum; Bae, Jeoung Won
2016-01-01
Breast cancer is a heterogeneous disease with diverse prognoses. The main prognostic determinants are lymph node status, tumor size, histological grade, and biological factors, such as hormone receptors, human epidermal growth factor receptor 2 (HER2), Ki-67 protein levels, and p53 expression. Diffusion-weighted imaging (DWI) can be used to measure the apparent diffusion coefficient (ADC) that provides information related to tumor cellularity and the integrity of the cell membranes. The goal of this study was to evaluate whether ADC measurements could provide information on the prognostic factors of breast cancer. A total of 71 women with invasive breast cancer, treated consecutively, who underwent preoperative breast MRIs with DWI at 3.0 Tesla and subsequent surgery, were prospectively included in this study. Each DWI was acquired with b values of 0 and 1000 s/mm(2). The mean ADC values of the lesions were measured, including the entire lesion on the three largest sections. We performed histopathological analyses for the tumor size, lymph node status, histological grade, hormone receptors, human epidermal growth factor receptor 2 (HER2), Ki-67, p53, and molecular subtypes. The associations with the ADC values and prognostic factors of breast cancer were evaluated using the independent-samples t test and the one-way analysis of variance (ANOVA). A low ADC value was associated with lymph node metastasis (P < 0.01) and with high Ki-67 protein levels (P = 0.03). There were no significant differences in the ADC values among the histological grade (P = 0.48), molecular subtype (P = 0.51), tumor size (P = 0.46), and p53 protein level (P = 0.62). The pre-operative use of the 3.0 Tesla DWI could provide information about the lymph node status and tumor proliferation for breast cancer patients, and could help determine the optimal treatment plan.
Oh, Ji-Won; Rha, Sung Eun; Oh, Soon Nam; Park, Michael Yong; Byun, Jae Young; Lee, Ahwon
2015-04-01
The purpose of this article is to correlate the apparent diffusion coefficient (ADC) values of epithelial ovarian cancers with histologic grade and surgical stage. We enrolled 43 patients with pathologically proven epithelial ovarian cancers for this retrospective study. All patients underwent preoperative pelvic magnetic resonance imaging (MRI) including diffusion-weighted images with b value of 0 and 1000 s/mm2 at 3.0-T unit. The mean ADC values of the solid portion of the tumor were measured and compared among different histologic grades and surgical stages. The mean ADC values of epithelial ovarian cancers differed significantly between grade 1 (well-differentiated) and grade 2 (moderately-differentiated) (P=0.013) as well as between grade 1 and grade 3 (poorly-differentiated) (P=0.01); however, no statistically significant difference existed between grade 2 and grade 3 (P=0.737). The receiver-operating characteristic analysis indicated that a cutoff ADC value of less than or equal to 1.09×10(-3)mm2/s was associated with 94.4% sensitivity and 85.7% specificity in distinguishing grade 1 and grade 2/3 cancer. The difference in mean ADC values was statistically significant for early stage (FIGO stage I) and advanced stage (FIGO stage II-IV) cancer (P=0.011). The interobserver agreement for the mean ADC values of epithelial ovarian cancers was excellent. The mean ADC values of the solid portion of epithelial ovarian cancers negatively correlated to histologic grade and surgical stage. The mean ADC values may be useful imaging biomarkers for assessment of tumor grade of epithelial ovarian cancer. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.
Directory of Open Access Journals (Sweden)
M Wahab Amjad
Full Text Available 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.
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Sijens, Paul E.; Irwan, Roy; Potze, Jan Hendrik; Oudkerk, Matthijs [University Medical Center Groningen and University of Groningen, Department of Radiology, Groningen (Netherlands); Mostert, Jop P.; Keyser, Jacques de [University Medical Center Groningen and University of Groningen, Department of Neurology, Groningen (Netherlands)
2006-04-15
Fifteen multiple sclerosis patients were examined by diffusion tensor imaging (DTI) to determine fractional anisotropy (FA) and apparent diffusion coefficient (ADC) in a superventricular volume of interest of 8 x 8 x 2 cm{sup 3} containing gray matter (GM) and white matter (WM) tissue. Point resolved spectroscopy 2D-chemical shift imaging of the same volume was performed without water suppression. The water contents and DTI parameters in 64 voxels of 2 cm{sup 3} were compared. The water content was increased in patients compared with controls (GM: 244{+-}21 vs. 194{+-}10 a.u.; WM: 245{+-}32 vs. 190{+-}11 a.u.), FA decreased (GM: 0.226{+-}0.038 vs. 0.270{+-}0.020; WM: 0.337{+-}0.044 vs. 0.402{+-}0.011) and ADC increased [GM: 1134{+-}203 vs. 899{+-}28 (x 10{sup -6} mm{sup 2}/s); WM: 901{+-}138 vs. 751{+-}17 (x 10{sup -6} mm{sup 2}/s)]. Correlations of water content with FA and ADC in WM were strong (r=-0.68, P<0.02; r=0.75; P<0.01, respectively); those in GM were weaker (r=-0.50, P<0.05; r=0.45, P<0.1, respectively). Likewise, FA and ADC were more strongly correlated in WM (r=-0.88; P<0.00001) than in GM (r=-0.69, P<0.01). The demonstrated relationship between DTI parameters and water content in multiple sclerosis patients suggests a potential for therapy monitoring in normal-appearing brain tissue. (orig.)
Sijens, Paul E; Irwan, Roy; Potze, Jan Hendrik; Mostert, Jop P; De Keyser, Jacques; Oudkerk, Matthijs
2006-04-01
Fifteen multiple sclerosis patients were examined by diffusion tensor imaging (DTI) to determine fractional anisotropy (FA) and apparent diffusion coefficient (ADC) in a superventricular volume of interest of 8 x 8 x 2 cm(3) containing gray matter (GM) and white matter (WM) tissue. Point resolved spectroscopy 2D-chemical shift imaging of the same volume was performed without water suppression. The water contents and DTI parameters in 64 voxels of 2 cm(3) were compared. The water content was increased in patients compared with controls (GM: 244+/-21 vs. 194+/-10 a.u.; WM: 245+/-32 vs. 190+/-11 a.u.), FA decreased (GM: 0.226+/-0.038 vs. 0.270+/-0.020; WM: 0.337+/-0.044 vs. 0.402+/-0.011) and ADC increased [GM: 1134+/-203 vs. 899+/-28 (x10(-6) mm(2)/s); WM: 901+/-138 vs. 751+/-17 (x10(-6) mm(2)/s)]. Correlations of water content with FA and ADC in WM were strong (r=-0.68, P<0.02; r=0.75; P<0.01, respectively); those in GM were weaker (r=-0.50, P<0.05; r=0.45, P<0.1, respectively). Likewise, FA and ADC were more strongly correlated in WM (r=-0.88; P<0.00001) than in GM (r=-0.69, P<0.01). The demonstrated relationship between DTI parameters and water content in multiple sclerosis patients suggests a potential for therapy monitoring in normal-appearing brain tissue.
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Liu, Song, E-mail: songliu532909756@gmail.com [Department of Radiology, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Guan, Wenxian, E-mail: wenxianguan123@126.com [Department of Gastrointestinal Surgery, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Wang, Hao, E-mail: wanghao20140525@126.com [Department of Gastrointestinal Surgery, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Pan, Liang, E-mail: panliang2014@126.com [Department of Radiology, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Zhou, Zhuping, E-mail: zhupingzhou@126.com [Department of Radiology, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Yu, Haiping, E-mail: haipingyu2012@126.com [Department of Radiology, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Liu, Tian, E-mail: tianliu2014@126.com [Radiation Oncology and Winship Cancer Institute, Emory University, Atlanta, GA 30322 (United States); Yang, Xiaofeng, E-mail: xiaofengyang2014@126.com [Radiation Oncology and Winship Cancer Institute, Emory University, Atlanta, GA 30322 (United States); He, Jian, E-mail: hjxueren@126.com [Department of Radiology, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China); Zhou, Zhengyang, E-mail: zyzhou@nju.edu.cn [Department of Radiology, Nanjing Drum Tower Hospital, The Affiliated Hospital of Nanjing University Medical School, Nanjing 210008 (China)
2014-12-15
Highlights: • Gastric cancers’ ADC values were significantly lower than normal gastric wall. • Gastric adenocarcinomas with different differentiation had different ADC values. • Gastric adenocarcinomas’ ADC values correlated with histologic differentiations. • Gastric cancers’ ADC values correlated with Lauren classifications. • Mean ADC value was better than min ADC value in characterizing gastric cancers. - Abstract: Objective: The purpose of this study was to evaluate the correlations between histological differentiation and Lauren classification of gastric cancer and the apparent diffusion coefficient (ADC) value of diffusion weighted imaging (DWI). Materials and methods: Sixty-nine patients with gastric cancer lesions underwent preoperative magnetic resonance imaging (MRI) (3.0T) and surgical resection. DWI was obtained with a single-shot, echo-planar imaging sequence in the axial plane (b values: 0 and 1000 s/mm{sup 2}). Mean and minimum ADC values were obtained for each gastric cancer and normal gastric walls by two radiologists, who were blinded to the histological findings. Histological type, degree of differentiation and Lauren classification of each resected specimen were determined by one pathologist. Mean and minimum ADC values of gastric cancers with different histological types, degrees of differentiation and Lauren classifications were compared. Correlations between ADC values and histological differentiation and Lauren classification were analyzed. Results: The mean and minimum ADC values of gastric cancers, as a whole and separately, were significantly lower than those of normal gastric walls (all p values <0.001). There were significant differences in the mean and minimum ADC values among gastric cancers with different histological types, degrees of differentiation and Lauren classifications (p < 0.05). Mean and minimum ADC values correlated significantly (all p < 0.001) with histological differentiation (r = 0.564, 0.578) and
Apparent diffusion coefficient histogram analysis of neonatal hypoxic-ischemic encephalopathy
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Cauley, Keith A. [University of Massachusetts Medical School, Department of Radiology, Worcester, MA (United States); New York Presbyterian Hospital, Columbia University Medical Center, Department of Radiology, New York, NY (United States); Filippi, Christopher G. [New York Presbyterian Hospital, Columbia University Medical Center, Department of Radiology, New York, NY (United States)
2014-06-15
Diffusion-weighted imaging is a valuable tool in the assessment of the neonatal brain, and changes in diffusion are seen in normal development as well as in pathological states such as hypoxic-ischemic encephalopathy (HIE). Various methods of quantitative assessment of diffusion values have been reported. Global ischemic injury occurring during the time of rapid developmental changes in brain myelination can complicate the imaging diagnosis of neonatal HIE. To compare a quantitative method of histographic analysis of brain apparent coefficient (ADC) maps to the qualitative interpretation of routine brain MR imaging studies. We correlate changes in diffusion values with gestational age in radiographically normal neonates, and we investigate the sensitivity of the method as a quantitative measure of hypoxic-ischemic encephalopathy. We reviewed all brain MRI studies from the neonatal intensive care unit (NICU) at our university medical center over a 4-year period to identify cases that were radiographically normal (23 cases) and those with diffuse, global hypoxic-ischemic encephalopathy (12 cases). We histographically displayed ADC values of a single brain slice at the level of the basal ganglia and correlated peak (s-sD{sub av}) and lowest histogram values (s-sD{sub lowest}) with gestational age. Normative s-sD{sub av} values correlated significantly with gestational age and declined linearly through the neonatal period (r {sup 2} = 0.477, P < 0.01). Six of 12 cases of known HIE demonstrated significantly lower s-sD{sub av} and s-sD{sub lowest} ADC values than were reflected in the normative distribution; several cases of HIE fell within a 95% confidence interval for normative studies, and one case demonstrated higher-than-normal s-sD{sub av}. Single-slice histographic display of ADC values is a rapid and clinically feasible method of quantitative analysis of diffusion. In this study normative values derived from consecutive neonates without radiographic evidence of
Stellwagen, Earle; Stellwagen, Nancy C
2002-08-01
The free solution mobility of DNA molecules of different molecular weights, the sequence dependence of the mobility, and the diffusion coefficients of small single- and double-stranded DNA (ss- and dsDNA) molecules can be measured accurately by capillary zone electrophoresis, using coated capillaries to minimize the electroosmotic flow (EOF) of the solvent. Very small differences in mobility between various analytes can be quantified if a mobility marker is used to correct for small differences in EOF between successive experiments. Using mobility markers, the molecular weight at which the free solution mobility of dsDNA becomes independent of molecular weight is found to be approximately 170 bp in 40 mM Tris-acetate-EDTA buffer. A DNA fragment containing 170 bp has a contour length of approximately 58 nm, close to the persistence length of DNA under these buffer conditions. Hence, the approach of the free solution mobility of DNA to a plateau value may be associated with the transition from a rod-like to a coil-like conformation in solution. Markers have also been used to determine that the free solution mobilities of ss- and dsDNA oligomers are sequence-dependent. Double-stranded 20-bp oligomers containing runs of three or more adenine residues in a row (A-tracts) migrate somewhat more slowly than 20-mers without A-tracts, suggesting that somewhat larger numbers of counterions are condensed in the ion atmospheres of A-tract DNAs, decreasing their net effective charge. Single-stranded 20-mers with symmetric sequences migrate approximately 1% faster than their double-stranded counterparts, and faster than single-stranded 20-mers containing A(5)- or T(5)-tracts. Interestingly, the average mobility of two complementary single-stranded 20-mers is equal to the mobility of the double-stranded oligomer formed upon annealing. Finally, the stopped migration method has been used to measure the diffusion coefficients of single- and double-stranded oligomers. The diffusion
A finite-volume numerical method to calculate fluid forces and rotordynamic coefficients in seals
Athavale, M. M.; Przekwas, A. J.; Hendricks, R. C.
1992-01-01
A numerical method to calculate rotordynamic coefficients of seals is presented. The flow in a seal is solved by using a finite-volume formulation of the full Navier-Stokes equations with appropriate turbulence models. The seal rotor is perturbed along a diameter such that the position of the rotor is a sinusoidal function of time. The resulting flow domain changes with time, and the time-dependent flow in the seal is solved using a space conserving moving grid formulation. The time-varying fluid pressure reaction forces are then linked with the rotor center displacement, velocity and acceleration to yield the rotordynamic coefficients. Results for an annular seal are presented, and compared with experimental data and other more simplified numerical methods.
Barlow, Andrew L; Macleod, Alasdair; Noppen, Samuel; Sanderson, Jeremy; Guérin, Christopher J
2010-12-01
One of the most routine uses of fluorescence microscopy is colocalization, i.e., the demonstration of a relationship between pairs of biological molecules. Frequently this is presented simplistically by the use of overlays of red and green images, with areas of yellow indicating colocalization of the molecules. Colocalization data are rarely quantified and can be misleading. Our results from both synthetic and biological datasets demonstrate that the generation of Pearson's correlation coefficient between pairs of images can overestimate positive correlation and fail to demonstrate negative correlation. We have demonstrated that the calculation of a thresholded Pearson's correlation coefficient using only intensity values over a determined threshold in both channels produces numerical values that more accurately describe both synthetic datasets and biological examples. Its use will bring clarity and accuracy to colocalization studies using fluorescent microscopy.
Hadjiev, Nicholas A; Amsden, Brian G
2015-02-10
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.
Inchingolo, Riccardo; De Gaetano, Anna Maria; Curione, Davide; Ciresa, Marzia; Miele, Luca; Pompili, Maurizio; Vecchio, Fabio Maria; Giuliante, Felice; Bonomo, Lorenzo
2015-04-01
To investigate the utility of diffusion-weighted imaging (DWI), apparent diffusion coefficient (ADC) and the correlation with hepatobiliary phase (delayed phase imaging, DPI) findings in the differentiation of cirrhotic hepatocellular nodules. Forty-three patients with 53 pathology-proven nodules (29 hepatocellular carcinomas (HCCs), 13 high-grade (HGDNs) and 11 low-grade dysplastic nodules (LGDNs); mean size 2.17 cm, range 1-4 cm), who underwent liver MRI with DWI and DPI sequences, were retrospectively reviewed. Lesions were classified as hypointense, isointense, or hyperintense relative to the adjacent liver parenchyma. ADC of each nodule, of the surrounding parenchyma, and lesion-to-liver ratio were calculated. Hyperintensity versus iso/hypointensity on DWI, hypointensity versus iso/hyperintensity on DPI, and the mean lesion-to-liver ratio showed a statistically significant difference both between HCCs versus DNs and between "HCCs + HGDNs" versus LGDNs (p Correlation of DWI with DPI improves differential diagnosis of cirrhotic nodules. • Characterization of atypically enhancing lesions becomes more confident.
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Dincer, Alp; Erzen, Canan [Acibadem University, Department of Radiology, School of Medicine, Istanbul (Turkey); Oezyurt, Onur [Bogazici University, Biomedical Engineering Institute, Istanbul (Turkey); Pamir, M.N. [Acibadem University, Department of Neurosurgery, School of Medicine, Istanbul (Turkey)
2010-04-15
To investigate the primary motor cortex (PMC) concerning T2 shortening on T2 echo-planar imaging (EPI-T2) and the double-layer sign on diffusion-weighted imaging (DWI), and also to measure its apparent diffusion coefficient (ADC). 3-T MR DWI was performed in 134 adult volunteers and 64 patients. T2 shortening was graded as hypointense or isointense compared with the signal of the superior frontal cortex (SFC). The double-layer sign of the PMC was graded as present or absent. Both findings (T2 shortening and double-layer sign) were evaluated independently by two authors. ADC of the PMC and the SFC were calculated using manually selected ROIs. T2 shortening was found in 131 adults and 62 patients by author 1 and in 132 adults and 61 patients by author 2 ({kappa} = 0.96 and 0.91). The double-layer sign was found in 131 adults and 61 patients by author 1 and in 127 adults and 58 patients by author 2 ({kappa} = 0.94 and 0.91). ADC values of the PMC and the SFC were different for all subjects (p < 0.01). T2 shortening and/or the double-layer sign on 3-T MR can be used to locate the PMC. The difference in ADC values between PMC and SFC is a distinguishing feature. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Inchingolo, Riccardo; De Gaetano, Anna Maria; Curione, Davide; Ciresa, Marzia; Bonomo, Lorenzo [Catholic University of the Sacred Heart, Department of Bioimaging and Radiological Sciences, Institute of Radiology, ' ' Agostino Gemelli' ' Hospital, Rome (Italy); Miele, Luca; Pompili, Maurizio [Catholic University of the Sacred Heart, Department of Internal Medicine, ' ' Agostino Gemelli' ' Hospital, Rome (Italy); Vecchio, Fabio Maria [Catholic University of the Sacred Heart, Department of Anatomo-Pathology, ' ' Agostino Gemelli' ' Hospital, Rome (Italy); Giuliante, Felice [Catholic University of the Sacred Heart, Department of Surgery, ' ' Agostino Gemelli' ' Hospital, Rome (Italy)
2015-04-01
To investigate the utility of diffusion-weighted imaging (DWI), apparent diffusion coefficient (ADC) and the correlation with hepatobiliary phase (delayed phase imaging, DPI) findings in the differentiation of cirrhotic hepatocellular nodules. Forty-three patients with 53 pathology-proven nodules (29 hepatocellular carcinomas (HCCs), 13 high-grade (HGDNs) and 11 low-grade dysplastic nodules (LGDNs); mean size 2.17 cm, range 1-4 cm), who underwent liver MRI with DWI and DPI sequences, were retrospectively reviewed. Lesions were classified as hypointense, isointense, or hyperintense relative to the adjacent liver parenchyma. ADC of each nodule, of the surrounding parenchyma, and lesion-to-liver ratio were calculated. Hyperintensity versus iso/hypointensity on DWI, hypointensity versus iso/hyperintensity on DPI, and the mean lesion-to-liver ratio showed a statistically significant difference both between HCCs versus DNs and between ''HCCs + HGDNs'' versus LGDNs (p < 0.05); sensitivity, specificity, and accuracy for the diagnosis of ''HCCs + HGDNs'' were 96.8 %, 100 %, 97.4 % respectively when combining hyperintensity on DWI and hypointensity on DPI, and 90.9 %, 81.0 %, 83.6 % respectively when lesion-to-liver ratio was <0.95. Hyperintensity on DWI, especially in association with hypointensity on DPI, and low lesion-to-liver ratios should raise the suspicion of HCC, or at least of HGDN, thus helping the characterization of atypically enhancing lesions. (orig.)
Mungai, Francesco; Morone, Mario; Villanacci, Alberta; Bondioni, Maria Pia; Mazzoni, Lorenzo Nicola; Grazioli, Luigi; Colagrande, Stefano
2014-07-01
The objective of this study was to assess the clinical role of apparent diffusion coefficient (ADC) analysis in noncystic focal liver lesion (FLL) classification/characterization.Six hundred liver magnetic resonances with multi-b (b = 50, 400, 800 s/mm) diffusion-weighted imaging (DwI) were retrospectively reviewed. Mean ADC was measured in 388 lesions (195 benign and 193 malignant) excluding internal necrotic areas. Cystic benign lesions were excluded from analysis. Sensitivity and specificity in distinguishing benign from malignant lesions were calculated. Analysis of variance was performed to detect differences among subgroups of solid lesions.Mean ADC of malignant lesions was 0.980 × 10 mm/s, significantly (P 1/3 (39.5%) presented values lower than 1 × 10 mm/s, with 90.0% chance of malignancy. Above 1.5 × 10 mm/s (about 20% of all lesions) chance of malignancy was 9.5%.DwI cannot assist in noncystic FLL characterization, but can help in FLL classification in about half the cases.
Manouchehrian Fard, Manouchehr; Beiki, Hossein
2016-10-01
An experimental study was performed to measure benzoic acid diffusion coefficient in water-based γ-Al2O3 nanofluids at different temperatures. Measurements were carried out at 15, 20 and 25 °C. γ-Al2O3 nanoparticles with an average diameter of 10-20 nm were added into de-ionized water as the based fluid. Nanoparticles volume fractions used in the based fluid were 0.025, 0.05, 0.1, 0.2, 0.4 and 0.8 %. Measurements showed that the diffusion coefficients was not changed with nanoparticles concentration and no enhancement was found. Dependence of diffusion coefficients on nanoparticles concentration followed the same trend in all temperatures investigated in this work. Nano stirring and nano-obstacles could be regarded as two reasons for mass diffusivity changes in nanofluids.
DEFF Research Database (Denmark)
Christensen, Eva Arnspang; Koffman, Jennifer Skaarup; Marlar, Saw
2014-01-01
Lateral diffusion and compartmentalization of plasma membrane proteins are tightly regulated in cells and thus, studying these processes will reveal new insights to plasma membrane protein function and regulation. Recently, k-Space Image Correlation Spectroscopy (kICS)1 was developed to enable...... to the correlation function yields the diffusion coefficient. This paper provides a step-by-step guide to the image analysis and measurement of diffusion coefficients via kICS. First, a high frame rate image sequence of a fluorescently labeled plasma membrane protein is acquired using a fluorescence microscope Then...... routine measurements of diffusion coefficients directly from images of fluorescently tagged plasma membrane proteins, that avoided systematic biases introduced by probe photophysics. Although the theoretical basis for the analysis is complex, the method can be implemented by nonexperts using a freely...
Zhu, Jie; Zhang, Jie; Gao, Jia-Yin; Li, Jin-Ning; Yang, Da-Wei; Chen, Min; Zhou, Cheng; Yang, Zheng-Han
2017-01-01
Apparent diffusion coefficient (ADC) measurement in diffusion-weighted imaging (DWI) has been reported to be a helpful biomarker for detection and characterization of lesion. In view of the importance of ADC measurement reproducibility, the aim of this study was to probe the variability of the healthy hepatic ADC values measured at 3 MR scanners from different vendors and with different field strengths, and to investigate the reproducibility of normalized ADC (nADC) value with the spleen as the reference organ. Thirty enrolled healthy volunteers received DWI with GE 1.5T, Siemens 1.5T, and Philips 3.0T magnetic resonance (MR) systems on liver and spleen (session 1) and were imaged again after 10 to 14 days using only GE 1.5T MR and Philips 3.0T MR systems (session 2). Interscan agreement and reproducibility of ADC measurements of liver and the calculated nADC values (ADCliver/ADCspleen) were statistically evaluated between 2 sessions. In session 1, ADC and nADC values of liver were evaluated for the scanner-related variability by 2-way analysis of variance and intraclass correlation coefficients (ICCs). Coefficients of variation (CVs) of ADCs and nADCs of liver were calculated for both 1.5 and 3.0-T MR system. Interscan agreement and reproducibility of ADC measurements of liver and related nADCs between 2 sessions were found to be satisfactory with ICC values of 0.773 to 0.905. In session 1, the liver nADCs obtained from different scanners were consistent (P = 0.112) without any significant difference in multiple comparison (P = 0.117 to >0.99) by using 2-way analysis of variance with post-hoc analysis of Bonferroni method, although the liver ADCs varied significantly (P < 0.001). nADCs measured by 3 scanners were in good interscanner agreements with ICCs of 0.685 to 0.776. The mean CV of nADCs of both 1.5T MR scanners (9.6%) was similar to that of 3.0T MR scanner (8.9%). ADCs measured at 3 MR scanners with different field strengths and vendors could
Directory of Open Access Journals (Sweden)
Ovchintsev Mikhail Petrovich
2014-04-01
Full Text Available This paper considers the problem of optimal recovery of bounded analytic functions. Namely, the values of these functions are determined at the point from their values at n given points lying in the unit circle. At first, we recall the necessary basic concepts: error of approximation by some method (which is a complex function of n complex variables, the best approximation method. Some theorems from the works of K.U. Osipenko are discussed: on the existence of a best linear approximation method and on calculating the error of best recovery method. After that we write out the formula for finding the error of best approximation method of bounded analytic functions in a unit circle. The lemma of conformal invariance of optimal recovery problem of these functions follows. We prove that under conformal mapping of the unit circle onto itself the error of the best approximation method before mapping coincides with the error of the best approximation method after mapping. It is also proved that a linear best method after conformal mapping coincides with the linear best restore method before this mapping (wherein the problem of optimal recovery after mapping is considered on the images of n given points lying in the original unit circle. Finally, we consider the problem of optimal recovery of bounded analytic functions in a circle in special case when the given points coincide with the vertices of a regular n-gon, and the point itself coincides with its center (which coincides with the origin. We prove that all the coefficients of the best linear method in this case are identical (wherein we apply the lemma of conformal invariance of optimal recovery problem of bounded analytic functions. The formulas for calculating these coefficients are given (for this purpose we write out an integral. The result is the smart, simple formulas for calculating the coefficients of the best linear approximation method for this particular case.
Binary Diffusion Coefficients of Platinum(II) Acetylacetonate in Supercritical Carbon Dioxide.
Kong, Chang Yi; Siratori, Tomoya; Wang, Guosheng; Sako, Takeshi; Funazukuri, Toshitaka
2013-11-14
Binary diffusion coefficients (D12) and retention factors (k) of platinum(II) acetylacetonate at infinitesimal concentration in supercritical (sc) carbon dioxide (CO2) were measured by the chromatographic impulse response method with a poly(ethylene glycol) coated capillary column at temperatures from (308.15 to 343.15) K and pressures from (8.5 to 40.0) MPa, and D12 in liquid ethanol at temperatures from (298.15 to 333.15) K and atmospheric pressure by the Taylor dispersion method. As has been seen for our previously reported data on other metal complexes measured in sc CO2 and organic solvents, the D12 data in sc CO2 and liquid ethanol were represented by a function of temperature and solvent viscosity. The D12 values for metal complexes were not related to the solute molecular weights. The k values in sc CO2 were expressed by a function of temperature and CO2 density.
Surface diffusion coefficient of Au atoms on single layer graphene grown on Cu
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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
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.
Dos Santos, Leslie; Laberty-Robert, Christel; Maréchal, Manuel; Perrot, Hubert; Sel, Ozlem
2015-09-15
Electrochemical Impedance Spectroscopy (EIS) was, for the first time, used to estimate the global transverse proton diffusion coefficient, D(H+)(EHM), in electrospun hybrid conducting membranes (EHMs). In contrast to conventional impedance spectroscopy, EIS measurements were performed at room temperature with a liquid interface. In this configuration, the measure of the bulk proton transport is influenced by the kinetics of the transfer of proton at the solid/liquid interface. We demonstrated that the use of additives in the process of the membrane impacts the organization of the hydrophilic domains and also the proton transport. The D(H+)(EHM) is close to 1.10(-7) cm(2) s(-1) (± 0.1.10(-7) cm(2) s(-1)) for the EHMs without additive, whereas it is 4.10(-6) cm(2) s(-1) (± 0.4.10(-6) cm(2) s(-1)) for EHMs with additives.
Calculating the vertex unknowns of nine point scheme on quadrilateral meshes for diffusion equation
Institute of Scientific and Technical Information of China (English)
YUAN GuangWei; SHENG ZhiQiang
2008-01-01
In the construction of nine point scheme, both vertex unknowns and cell-centered unknowns are introduced, and the vertex unknowns are usually eliminated by using the interpolation of neighboring cell-centered unknowns, which often leads to lose accuracy. Instead of using interpolation,here we propose a different method of calculating the vertex unknowns of nine point scheme, which are solved independently on a new generated mesh. This new mesh is a Voronoi mesh based on the vertexes of primary mesh and some additional points on the interface. The advantage of this method is that it is particularly suitable for solving diffusion problems with discontinuous coefficients on highly distorted meshes, and it leads to a symmetric positive definite matrix. We prove that the method has first-order convergence on distorted meshes. Numerical experiments show that the method obtains nearly second-order accuracy on distorted meshes.
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Garberoglio, Giovanni, E-mail: garberoglio@fbk.eu [Interdisciplinary Laboratory for Computational Science (LISC), FBK-CMM and University of Trento, via Sommarive 18, I-38123 Povo (Italy); Jankowski, Piotr [Department of Quantum Chemistry, Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, PL-87-100 Toruń (Poland); Szalewicz, Krzysztof [Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716 (United States); Harvey, Allan H. [Applied Chemicals and Materials Division, National Institute of Standards and Technology, 325 Broadway, Boulder, Colorado 80305-3337 (United States)
2014-07-28
We present a path-integral Monte Carlo procedure for the fully quantum calculation of the second molecular virial coefficient accounting for intramolecular flexibility. This method is applied to molecular hydrogen (H{sub 2}) and deuterium (D{sub 2}) in the temperature range 15–2000 K, showing that the effect of molecular flexibility is not negligible. Our results are in good agreement with experimental data, as well as with virials given by recent empirical equations of state, although some discrepancies are observed for H{sub 2} between 100 and 200 K.
Variation in downwelling diffuse attenuation coefficient in the northern South China Sea
Institute of Scientific and Technical Information of China (English)
2008-01-01
The diffuse attenuation coefficient for downwelling irradiance (Kd(λ)) is an important parameter for ocean studies. Based on the optical profile data measured during three cruises in the northern South China Sea in autumn from 2003 to 2005, variations in the Kd(λ) spectra were analyzed. The variability of Kd(λ) shows much distinct features in both magnitude and spectra pattern, it is much higher in coastal waters than that of open oceanic waters; and the blue-to-green (443/555) ratio of Kd(λ) tends to increase with chlorophyll a concentration ([Chl-a]) from open ocean to coastal waters. These characteristics can be explained most by the increase of aw+p(443)/aw+p(555) with [Chl-a]. In short waveband, the relation between Kd(λ)-Kw(λ) and [Chl-a] can be well described by a power law function, indicating the large contribution of phytoplankton to the variations in Kd(λ). As for the spectral model of the diffuse attenuation coefficient, there are good linear relationships between Kd(490) and Kd(λ) in other wavelengths with own slope and intercept of a linear functions in the spectral range 412-555 nm. Kd(490) is well correlated with the spectral ratio of remote sensing reflectance; and should enough measurement data are given, this empirical algorithm would be used in the Kd(λ) retrieval from ocean color satellite data. The variation in Kd(λ) provides much useful information for us to study the bio-optical property in the northern South China Sea.
Kubo number and magnetic field line diffusion coefficient for anisotropic magnetic turbulence
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Pommois, P.; Veltri, P.; Zimbardo, G.
2001-06-01
The magnetic field line diffusion coefficients D{sub x} and D{sub y} are obtained by numerical simulations in the case that all the magnetic turbulence correlation lengths l{sub x}, l{sub y}, and l{sub z} are different. We find that the variety of numerical results can be organized in terms of the Kubo number, the definition of which is extended from R=({delta}B/B{sub 0})(l{sub {parallel}}/l{sub {perpendicular}}) to R=({delta}B/B{sub 0})(l{sub z}/l{sub x}), for l{sub x}{ge}l{sub y}. Here, l{sub {parallel}} (l{sub {perpendicular}}) is the correlation length along (perpendicular to) the average field B{sub 0}=B{sub 0}{cflx e}{sub z}. We have anomalous, non-Gaussian transport for R{approx_lt}0.1, in which case the mean square deviation scales nonlinearly with time. For R{approx_gt}1 we have several Gaussian regimes: an almost quasilinear regime for 0.1{approx_lt}R{approx_lt}1, an intermediate, transition regime for 1{approx_lt}R{approx_lt}10, and a percolative regime for R{approx_gt}10. An analytical form of the diffusion coefficient is proposed, D{sub i}=D({delta}Bl{sub z}/B{sub 0}l{sub x}){sup {mu}}(l{sub i}/l{sub x}){sup {nu}}l{sub x}{sup 2}/l{sub z}, which well describes the numerical simulation results in the quasilinear, intermediate, and percolative regimes.
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Nam, Se Jin; Park, Kae Young; Yu, Jeong Sik; Chung, Jae Joon; Kim, Joo Hee; Kim, Ki Whang [Dept. of Radiology and Research Institute of Radiological Science, Yonsei University College of Medicine, Gangnam Severance Hospital, Seoul (Korea, Republic of)
2012-11-15
To investigate the relationships between the apparent diffusion coefficients (ADCs) on diffusion-weighted imaging (DWI) and the speed of contrast-enhancement in hepatic hemangiomas. Sixty-nine hepatic hemangiomas ({>=} 1 cm) were evaluated with DWI, by using multiple b values (b = 50, 400, 800 s/mm{sup 2}), 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 (mADC{sub 50-400} with b values = 50 and 400; mADC{sub 400-800} with b values = 400 and 800 s/mm{sup 2}). The mean ADCs (X 10{sup -3} mm{sup 2}/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 mADC{sub 50-400} (2.12 vs. 1.48; p 0.008) and mADC{sub 400-800} (1.68 vs. 1.22, p = 0.010), and between the rapid and the intermediate groups in mADC{sub 50-400} (2.12 vs. 1.79, p 0.049). Comparing mADC{sub 50-400} with mADC{sub 400-800}, there was a significant difference only in the rapid group (p = 0.001). 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.
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John N Morelli
Full Text Available Hepatic lesions often present diagnostic connundrums with conventional MR techniques. Hepatobiliary phase contrast-enhanced imaging with gadoxetic acid can aid in the characterization of such lesions. However, quantitative measures describing late-phase enhancement must be assessed relative to their accuracy of hepatic lesion classification.To compare quantitative parameters in gadoxetic acid contrast-enhanced dynamic and hepatobiliary phase imaging versus apparent diffusion coefficients in hepatic lesion characterization.57 patients with focal hepatic lesions on gadoxetic acid MR were included. Lesion enhancement at standard post-contrast time points and in the hepatobiliary phase (HB; 15 and 25 minutes post-contrast was assessed via calculation of contrast (CR and enhancement ratios (ER. Apparent diffusion coefficient (ADC values were also obtained. Values for these parameters were compared among lesions and ROC analyses performed.HB enhancement was greatest with FNH and adenomas. HB ER parameters but not HB CR could distinguish HCC from benign entities (0.9 ER ROC AUC versus 0.5 CR ROC AUC. There was no statistically significant difference found between the 15 and 25 minutes HB time points in detection of any lesion (p>0.4. ADC values were statistically significantly higher with hemangiomas (p<0.05 without greater accuracy in lesion detection relative to HB phase parameters.Hepatobiliary phase gadoxetic acid contrast-enhanced MR characterizes focal hepatic lesions more accurately than ADC and conventional dynamic post-contrast time point enhancement parameters. ER values are generally superior to CR. No discernible benefit of 25 minute versus 15 minute delayed imaging is demonstrated.
A uniqueness result for the identification of a time-dependent diffusion coefficient
Fraguela, A.; Infante, J. A.; Ramos, A. M.; Rey, J. M.
2013-12-01
This paper deals with the problem of determining the time-dependent thermal diffusivity coefficient of a medium, when the evolution of the temperature in a part of it is known. Such situations arise in the context of food technology, when thermal processes at high pressures are used for extending the shelf life of the food, in order to preserve its nutritional and organoleptic properties (Infante et al 2009 On the Modelling and Simulation of High Pressure Processes and Inactivation of Enzymes in Food Engineering pp 2203-29 and Otero et al 2007 J. Food Eng. 78 1463-70). The phenomenon is modeled by the heat equation involving a term which depends on the source temperature and pressure increase, and appropriate initial and boundary conditions. We study the inverse problem of determining time-dependent thermal diffusivities k, when some temperature measurements at the border and inside the medium are known. We prove the uniqueness of the inverse problem solution under suitable a priori assumptions on regularity, size and growth of k.
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Naganawa, Shinji; Sato, Chiho; Ishigaki, Takeo [Nagoya University School of Medicine, Department of Radiology, Nagoya (Japan); Kumada, Hisashi; Miura, Shunichi [Toyohashi Municipal hospital, Department of Radiology, Toyohashi, Aich (Japan); Takizawa, Osamu [Siemens-Asahi Medical Technologies Ltd, Tokyo (Japan)
2005-01-01
A relation between apparent diffusion coefficient (ADC) values and tumor cellular density has been reported. The purpose of this study was to measure the ADC values of cervical cancers in the uterus and compare them with those of normal cervical tissues, and to test whether ADC could differentiate between normal and malignant cervical tissues in the uterus. Twelve consecutive female patients with cervical cancer of the uterus and ten female patients with other pelvic abnormalities were included in this study. ADC was measured at 1.5 T with b-factors of 0, 300 and 600 s/mm{sup 2} using single-shot echo-planar diffusion-weighted imaging and a parallel imaging technique. The mean ADC value of cervical cancer lesions was 1.09{+-}0.20 x 10{sup -3} mm{sup 2}/s, and that of normal cervix tissue was 1.79{+-}0.24 x 10{sup -3} mm{sup 2}/s (P<0.0001). In nine patients treated by chemotherapy and/or radiation therapy, the mean ADC value of the cervical cancer lesion increased significantly after therapy (P<0.001). The present study showed, with a small number of patients, that ADC measurement has a potential ability to differentiate between normal and cancerous tissue in the uterine cervix. Further study is necessary to determine the accuracy of ADC measurement in monitoring the treatment response. (orig.)
Wang, Jifei; Sun, Meili; Liu, Dawei; Hu, Xiaoshu; Pui, Margaret H; Meng, Quanfei; Gao, Zhenhua
2017-08-01
Background Neoadjuvant chemotherapy has made limb-salvage surgery possible for the patients with osteosarcoma. Diffusion-weighted magnetic resonance imaging (DWI) has been used to monitor chemotherapy response. Purpose To correlate the apparent diffusion coefficient (ADC) values with histopathology subtypes of osteosarcoma after neoadjuvant chemotherapy. Material and Methods Twelve patients with osteoblastic (n = 7), chondroblastic (n = 4), and fibroblastic (n = 1) osteosarcomas underwent post-chemotherapy DWI before limb-salvage surgery. ADCs corresponding to 127 histological tissue samples from the 12 resected specimens were compared to histological features. Results The mean ADC value of non-cartilaginous viable tumor (38/91, ADC = 1.22 ± 0.03 × 10(-3 )mm(2)/s) was significantly ( P 0.05) different between viable cartilaginous tumor and cystic/hemorrhagic necrosis. Conclusion DWI allows assessment of tumor necrosis after neoadjuvant chemotherapy by ADC differences between viable tumor and necrosis in fibroblastic and osteoblastic osteosarcomas whereas viable chondroblastic osteosarcoma has high ADC and cannot be distinguished reliably from necrosis.
Kim, Mimi; Kang, Tae Wook; Kim, Young Kon; Kim, Seong Hyun; Kwon, Wooil; Ha, Sang Yun; Ji, Sang A
2016-03-01
To evaluate the correlation between grade of pancreatic neuroendocrine tumours (pNETs) based on the 2010 World Health Organization (WHO) classification and the apparent diffusion coefficient (ADC), and to assess whether the ADC value and WHO classification can predict recurrence-free survival (RFS) after surgery for pNETs. This retrospective study was approved by the Institutional Review Board. The requirement for informed consent was waived. Between March 2009 and November 2014, forty-nine patients who underwent magnetic resonance (MR) imaging with diffusion-weighted image and subsequent surgery for single pNETs were included. Correlations among qualitative MR imaging findings, quantitative ADC values, and WHO classifications were assessed. An ordered logistic regression test was used to control for tumour size as a confounding factor. The association between ADC value (or WHO classification) and RFS was analysed. All tumors (n=49) were classified as low- (n=29, grade 1), intermediate- (n=17, grade 2), and high-grade (n=3, grade 3), respectively. The mean ADC of pNETs was moderately negatively correlated with WHO classification before and after adjustment for tumour size (ρ=-0.64, pcorrelated with WHO tumour grade, regardless of tumour size. However, the WHO tumour classification of pNET may be more suitable for predicting RFS than the ADC value. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.
Regional apparent diffusion coefficient values in 3rd trimester fetal brain
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Hoffmann, Chen [Tel Aviv University, Department of Radiology, Sheba Medical Center, Tel Hashomer (affiliated to the Sackler School of Medicine), Tel Aviv (Israel); Sheba Medical Center, Diagnostic Imaging, 52621, Tel Hashomer (Israel); Weisz, Boaz; Lipitz, Shlomo; Katorza, Eldad [Tel Aviv University, Department of Obstetrics and Gynecology, Sheba Medical Center, Tel Hashomer (affiliated to the Sackler School of Medicine), Tel Aviv (Israel); Yaniv, Gal; Bergman, Dafi [Tel Aviv University, Department of Radiology, Sheba Medical Center, Tel Hashomer (affiliated to the Sackler School of Medicine), Tel Aviv (Israel); Biegon, Anat [Stony Brook University School of Medicine, Department of Neurology, Stony Brook, NY (United States)
2014-07-15
Apparent diffusion coefficient (ADC) values in the developing fetus can be used in the diagnosis and prognosis of prenatal brain pathologies. To this end, we measured regional ADC in a relatively large cohort of normal fetal brains in utero. Diffusion-weighted imaging (DWI) was performed in 48 non-sedated 3rd trimester fetuses with normal structural MR imaging results. ADC was measured in white matter (frontal, parietal, temporal, and occipital lobes), basal ganglia, thalamus, pons, and cerebellum. Regional ADC values were compared by one-way ANOVA with gestational age as covariate. Regression analysis was used to examine gestational age-related changes in regional ADC. Four other cases of CMV infection were also examined. Median gestational age was 32 weeks (range, 26-33 weeks). There was a highly significant effect of region on ADC, whereby ADC values were highest in white matter, with significantly lower values in basal ganglia and cerebellum and the lowest values in thalamus and pons. ADC did not significantly change with gestational age in any of the regions tested. In the four cases with fetal CMV infection, ADC value was associated with a global decrease. ADC values in normal fetal brain are relatively stable during the third trimester, show consistent regional variation, and can make an important contribution to the early diagnosis and possibly prognosis of fetal brain pathologies. (orig.)
Liu, Ming; Lv, Han; Liu, Li-Heng; Yang, Zheng-Han; Jin, Er-Hu; Wang, Zhen-Chang
2017-07-01
The purpose of the study is to evaluate whether apparent diffusion coefficient (ADC) textures could identify patient with locally advanced rectal cancer (LARC) who would not respond to neoadjuvant chemoradiotherapy (NCRT). Twenty-six patients who underwent MRI including diffusion-weighted imaging at a 3.0 T system before NCRT were enrolled. Texture analysis of pre-therapy ADC mapping was carried out, and a total of 133 ADC textures as well as routine mean ADC value of the primary tumor were extracted for each patient. Texture parameters and mean ADC were compared between responsive group and non-responsive group. Logistic regression was used to determine the independent predictors for non-responders. Receiver operating characteristic curve (ROC) was performed to evaluate the predictive performance of the significant parameters. Eighteen of the 133 texture parameters significantly differed between responsive and non-responsive groups (p variance and SdGa47 were identified as independent predictors for non-responders to NCRT; this logistic model achieved an area under the curve (AUC) of 0.908. Texture analysis based on pre-therapy ADC mapping could potentially be helpful to identify patients with LARC who would not respond to NCRT.
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Fethi Emre Ustabasioglu
2017-01-01
Full Text Available Objectives: We aimed to prospectively assess the diagnostic value of apparent diffusion coefficient (ADC measurement in the differentiation of benign and malignant mediastinal lymphadenopathies. Materials and Methods: The study included 63 consecutive patients (28 women, 35 men; mean age 59.3 years with 125 mediastinal lymphadenopathies. Echoplanar diffusion-weighted magnetic resonance imaging of the mediastinum was performed with b-factors of 0 and 600 mm2/s before mediastinoscopy and mediastinotomy, and ADC values were measured. The ADC values were compared with the histological results, and statistical analysis was done. P < 0.05 was considered statistically significant. Results: The mean ADC value of malignant mediastinal lymphadenopathy (1.030 ± 0.245 × 10−3 mm2/s was significantly lower (P < 0.05 when compared to benign lymphadenopathies (1.571 ± 0.559 × 10−3 mm2/s. For differentiating malignant from benign mediastinal lymphadenopathy, the best result was obtained when an ADC value of 1.334 × 10−3 mm2/s was used as a threshold value; area under the curve 0.848, accuracy 78.4%, sensitivity 66%, specificity of 86%, positive predictive value 76.7%, and negative predictive value of 79.2%. Interobserver agreement was excellent for ADC measurements. Conclusions: ADC measurements could be considered an important supportive method in differentiating benign from malignant mediastinal lymphadenopathies.
The exact calculation of the edge components of the angular Fock coefficients
Liverts, Evgeny Z
2016-01-01
The present paper constitutes the development of our previous work devoted to calculations of the angular Fock coefficients, $\\psi_{k,p}(\\alpha,\\theta)$. The explicit analytic representations for the edge components $\\psi_{k,0}^{(0)}$ and $\\psi_{k,0}^{(k)}$ with $k\\leq8$ are derived. The methods developed enable such a calculation for arbitrary $k$. The single-series representation for subcomponent $\\psi_{3,0}^{(2e)}$ missed in the previous paper is developed. It is shown how to express some of the complicated subcomponents through the hypergeometric and the elementary functions, as well. Using the specific operator of the Wolfram Mathematica, the simple explicit representations for some complex mathematical objects under consideration are obtained.
Directory of Open Access Journals (Sweden)
Saleh Alsubari
2011-09-01
Full Text Available In this paper, we present the mechanical models that are devoted to the elastic properties of one-dimensional composite. We have compared the equivalent coefficients of one-dimensional composite, resulting from different models. The validation of the results was made through effective experiments on a one-dimensional composite consisting of fibers of alumina and a matrix of aluminum. This study allows us to better assess the rigidity of composite structures, and the results of calculation of the mechanical behavior, resulting from each model. It appears that the finite element model is the best suited to the approach of a refined conception. For more insurance, we have chosen to make our calculations by finite element in the three-dimensional case, using the technique of homogenization by asymptotic development.
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Božidar Liščić
2012-02-01
Full Text Available This paper explains the need for a database of cooling intensities for liquid quenchants, in order to predict the quench hardness, microstructure, stresses and distortion, when real engineering components of complex geometry are quenched. The existing laboratory procedures for cooling intensity evaluation, using small test specimens, and Lumped-Heat-Capacity Method for calculation of heat transfer coefficient, are presented. Temperature Gradient Method for heat transfer calculation in workshop conditions, when using the Liscic/Petrofer probe, has been elaborated. Critical heat flux densities and their relation to the initial heat flux density, is explained. Specific facilities for testing quenching intensity in workshop conditions, are shown. The two phase project of the International Federation for Heat Treatment and Surface Engineering (IFHTSE, as recently approved, is mentioned.
Calculation of Coefficients of Simplest Normal Forms of Hopf and Generalized Hopf Bifurcations
Institute of Scientific and Technical Information of China (English)
TIAN Ruilan; ZHANG Qichang; HE Xuejun
2007-01-01
The coefficients of the simplest normal forms of both high-dimensional generalized Hopf and high-dimensional Hopf bifurcation systems were discussed using the adjoint operator method. A particular nonlinear scaling and an inner product were introduced in the space of homogeneous poiynomials. Theorems were established for the explicit expression of the simplest normal forms in terms of the coefficients of both the conventional normal forms of Hopf and generalized Hopf bifurcation systems. A symbolic manipulation was designed to perform the calculation of the coefficients of the simplest normal forms using Mathematica. The original ordinary differential equation was required in the input and the simplest normal form could be obtained as the output. Finally, the simplest normal forms of 6-dimensional generalized Hopf singularity of type 2 and 5-dimensional Hopf bifurcation system were discussed by executing the program. The output showed that the 5th- and 9th-order terms remained in 6-dimensional generalized Hopf singularity of type 2 and the 3rd- and 5th-order terms remained in 5-dimensional Hopf bifurcation system.
Calculation of self-field coefficients for 2D magnetostatic systems
Hall, Darren; Teyssedou, Alberto
2014-11-01
Physics and engineering students are introduced to the notion of a demagnetizing field in classical electromagnetism courses. This concept involves a formalism based on an integral formulation for calculating the coefficients of the demagnetizing tensor, i.e., a pure geometric quantity. For self-fields, the observation point is located inside the integration region which in turn leads to discontinuous integrands. Therefore, in order to avoid mathematical inconsistencies, special care must be taken when evaluating self-field coefficients, referred to here as self-terms. Given the complexity of this approach, in particular in 3D, it is certainly interesting from a pedagogical stand point to employ 2D systems as a first step for describing these kinds of coefficients. Thus, in this paper, the generalization of self-terms of the demagnetizing tensor is proven for 2D magnetostatic systems. Nonetheless, the structure of this proof pertains to many other situations given the fact that discontinuous integrands commonly arise in physics (e.g. integral solutions of PDEs which use a Green’s function).
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Adachi, Yuko; Sato, Noriko; Yamashita, Fumio; Kida, Jiro; Takahashi, Tomoyuki [National Center Hospital of Neurology and Psychiatry, Department of Radiology, Kodaira, Tokyo (Japan); Okamoto, Tomoko [National Center Hospital of Neurology and Psychiatry, Department of Neurology, Kodaira, Tokyo (Japan); Sasaki, Masayuki; Komaki, Hirofumi [National Center Hospital of Neurology and Psychiatry, Department of Child Neurology, Kodaira, Tokyo (Japan); Matsuda, Hiroshi [Saitama Medial University Hospital, Department of Nuclear Medicine, Iruma-gun, Saitama (Japan)
2011-01-15
Our purpose was to clarify the magnetic resonance (MR) imaging characteristics of the brachial and lumbar plexuses in patients with chronic inflammatory demyelinating polyradiculoneuropathy (CIDP) using various kinds of sequences, including diffusion-weighted images (DWI). We evaluated the MR imaging findings for lumbar and/or brachial nerve plexuses in 13 CIDP patients and 11 normal volunteers. The nerve swelling was evaluated in comparison with normal controls by coronal short tau inversion recovery (STIR), and signal abnormalities were evaluated by coronal STIR, T1-weighted images, and DWIs. The degrees of contrast enhancement and apparent diffusion coefficient (ADC) values of the plexus were also assessed. In the patient group, diffuse enlargement and abnormally high signals were detected in 16 out of 24 plexuses (66.7%) on STIR, a slightly high signal was detected in 12 of 24 plexuses (50%) on T1-weighted images, and a high-intensity signal was detected in 10 of 18 plexuses (55.6%) on DWIs with high ADC values. Contrast enhancement of the plexuses was revealed in 6 of 19 plexuses (31.6%) and was mild in all cases. There were statistically significant differences between the ADC values of patients with either swelling or abnormal signals and those of both normal volunteers and patients without neither swelling nor abnormal signals. There were no relationships between MR imaging and any clinical findings. STIR is sufficient to assist clinicians in diagnosing CIDP. T1-weighted images and DWIs seemed useful for speculating about the pathological changes in swollen plexuses in CIDP patients. (orig.)
Zhao, Lei; Yu, Yiqun; Delzanno, Gian Luca; Jordanova, Vania K.
2015-04-01
Local acceleration via whistler wave and particle interaction plays a significant role in particle dynamics in the radiation belt. In this work we explore gyroresonant wave-particle interaction and quasi-linear diffusion in different magnetic field configurations related to the 17 March 2013 storm. We consider the Earth's magnetic dipole field as a reference and compare the results against nondipole field configurations corresponding to quiet and stormy conditions. The latter are obtained with the ring current-atmosphere interactions model with a self-consistent magnetic field (RAM-SCB), a code that models the Earth's ring current and provides a realistic modeling of the Earth's magnetic field. By applying quasi-linear theory, the bounce- and Magnetic Local Time (MLT)-averaged electron pitch angle, mixed-term, and energy diffusion coefficients are calculated for each magnetic field configuration. For radiation belt (˜1 MeV) and ring current (˜100 keV) electrons, it is shown that at some MLTs the bounce-averaged diffusion coefficients become rather insensitive to the details of the magnetic field configuration, while at other MLTs storm conditions can expand the range of equatorial pitch angles where gyroresonant diffusion occurs and significantly enhance the diffusion rates. When MLT average is performed at drift shell L=4.25 (a good approximation to drift average), the diffusion coefficients become quite independent of the magnetic field configuration for relativistic electrons, while the opposite is true for lower energy electrons. These results suggest that, at least for the 17 March 2013 storm and for L≲4.25, the commonly adopted dipole approximation of the Earth's magnetic field can be safely used for radiation belt electrons, while a realistic modeling of the magnetic field configuration is necessary to describe adequately the diffusion rates of ring current electrons.
Guner, Ozkan; Bekir, Ahmet; Unsal, Omer; Cevikel, Adem C.
2017-01-01
In this paper, we pay attention to the analytical method named, ansatz method for finding the exact solutions of the variable-coefficient modified KdV equation and variable coefficient diffusion-reaction equation. As a result the singular 1-soliton solution is obtained. These solutions are important for the explanation of some practical physical problems. The obtained results show that these methods provides a powerful mathematical tool for solving nonlinear equations with variable coefficients. This method can be extended to solve other variable coefficient nonlinear partial differential equations.
Institute of Scientific and Technical Information of China (English)
Yuelang Zhang; Xingwang Sun; Guangnan Quan; Yongqian Qiang; Chenxia Li
2008-01-01
Objective:To find the value of the apparent diffusion coefficient (ADC) of diffusion weighted magnetic resonance imaging of common renal diseases. Methods: There were 30 healthy subjects and 81 patients with renal lesions (56 cases of renal carcinoma, 18 lesions of 12 cases of renal angiomyolipoma, and 21 lesions of 13 cases of renal cysts). Conventional magnetic resonance imaging and diffusion weighted magnetic resonance imaging were carded out. We measured the average ADC value of the renal lesions and normal kidneys. ADC maps from different b values were generated by a statistical package. Results: The ADC values of normal kidneys with three different motion-probing gradients(b=500, 800, 1000 sec/mm2) were 2.78±0.14×10-3mm2s-1,2.45±0.13×10-3mm2s-1, 2.13±0.14×10-3mm2s-1, respectively. The ADC values of renal cell carcinoma with three different motion-probing gradients(b=500, 800, 1008 sec/mm2) were 1.63±0.14×10-3mm2s-1, 1.31±0.18×10-3mm2s-1, 1.07±0.15-310-3mm2s-1, respectively. Among the renal cell carcinoma, the ADC value of clear cell type were 1.67±0.09×10-3mm2s-1, 1.36±0.13×10-3mm2s-1, 1.15±0.14×10-3mm2s-1,respectively; the ADC values of granular cell type were 1.59±0.19×10-3mm2s-1, 1.25±0.22×10-3mm2s-1, 0.97±0.12×10-3mm2s-1, respectively. The ADC values of renal angiomyolipoma with three different motion-probing gradients(b=500, 800, 1008 sec/mm2) were 0.88±0.08×10-3mm2s-1, 0.63±0.07×10-3mm2s-1, 0.43±0.04×10-3mm2s-1, respectively. The ADC values of renal cystic lesions with three different motion-probing gradients(b=500, 800, 1000 sec/mm2) were 3.73±0.18×10-3mm2s-1, 3.44±0.13×10-3mm2s-1, 3.09±0.21×10-3mm2s-1, respectively. Statistically significant differences exists between the ADC values of normal kidney, renal carcinomas, renal angiomyolipomas and renal cysts when the b value is the same. Among the different cell types of renal carcinomas, the ADC value of granular cell carcinoma is lower than that of clear cell
Ma, Wanling; Li, Na; Zhao, Weiwei; Ren, Jing; Wei, Mengqi; Yang, Yong; Wang, Yingmei; Fu, Xin; Zhang, Zhuoli; Larson, Andrew C; Huan, Yi
2016-01-01
To clarify diffusion and perfusion abnormalities and evaluate correlation between apparent diffusion coefficient (ADC), MR perfusion and histopathologic parameters of pancreatic cancer (PC). Eighteen patients with PC underwent diffusion-weighted imaging and dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). Parameters of DCE-MRI and ADC of cancer and non-cancerous tissue were compared. Correlation between the rate constant that represents transfer of contrast agent from the arterial blood into the extravascular extracellular space (K, volume of the extravascular extracellular space per unit volume of tissue (Ve), and ADC of PC and histopathologic parameters were analyzed. The rate constant that represents transfer of contrast agent from the extravascular extracellular space into blood plasma, K, tissue volume fraction occupied by vascular space, and ADC of PC were significantly lower than nontumoral pancreases. Ve of PC was significantly higher than that of nontumoral pancreas. Apparent diffusion coefficient and K values of PC were negatively correlated to fibrosis content and fibroblast activation protein staining score. Fibrosis content was positively correlated to Ve. Apparent diffusion coefficient values and parameters of DCE-MRI can differentiate PC from nontumoral pancreases. There are correlations between ADC, K, Ve, and fibrosis content of PC. Fibroblast activation protein staining score of PC is negatively correlated to ADC and K. Apparent diffusion coefficient, K, and Ve may be feasible to predict prognosis of PC.
Institute of Scientific and Technical Information of China (English)
Yunjun Yang; Lingyun Gao; Jun Fu; Jun Zhang; Yuxin Li; Bo Yin; Weijian Chen; Daoying Geng
2013-01-01
Supratentorial cerebral infarction can cause functional inhibition of remote regions such as the ce-rebel um, 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. Diffu-sion-weighted imaging showed that the area of infarction core gradual y increased to involve the cerebral cortex with increasing infarction time. Diffusion weighted imaging signals were initial y in-creased and then stabilized by 24 hours. With increasing infarction time, the apparent diffusion coefficient value in the infarction core and remote bilateral cerebel um both gradual y decreased, and then slightly increased 3-24 hours after infarction. Apparent diffusion coefficient values at mote regions (cerebel um) varied along with the change of supratentorial infarction core, suggesting that the phenomenon of diaschisis existed at the remote regions. Thus, apparent diffusion coeffi-cient values and diffusion weighted imaging can be used to detect early diaschisis.
Molecular radiotherapy: The NUKFIT software for calculating the time-integrated activity coefficient
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Kletting, P.; Schimmel, S.; Luster, M. [Klinik für Nuklearmedizin, Universität Ulm, Ulm 89081 (Germany); Kestler, H. A. [Research Group Bioinformatics and Systems Biology, Institut für Neuroinformatik, Universität Ulm, Ulm 89081 (Germany); Hänscheid, H.; Fernández, M.; Lassmann, M. [Klinik für Nuklearmedizin, Universität Würzburg, Würzburg 97080 (Germany); Bröer, J. H.; Nosske, D. [Bundesamt für Strahlenschutz, Fachbereich Strahlenschutz und Gesundheit, Oberschleißheim 85764 (Germany); Glatting, G. [Medical Radiation Physics/Radiation Protection, Medical Faculty Mannheim, Heidelberg University, Mannheim 68167 (Germany)
2013-10-15
Purpose: Calculation of the time-integrated activity coefficient (residence time) is a crucial step in dosimetry for molecular radiotherapy. However, available software is deficient in that it is either not tailored for the use in molecular radiotherapy and/or does not include all required estimation methods. The aim of this work was therefore the development and programming of an algorithm which allows for an objective and reproducible determination of the time-integrated activity coefficient and its standard error.Methods: The algorithm includes the selection of a set of fitting functions from predefined sums of exponentials and the choice of an error model for the used data. To estimate the values of the adjustable parameters an objective function, depending on the data, the parameters of the error model, the fitting function and (if required and available) Bayesian information, is minimized. To increase reproducibility and user-friendliness the starting values are automatically determined using a combination of curve stripping and random search. Visual inspection, the coefficient of determination, the standard error of the fitted parameters, and the correlation matrix are provided to evaluate the quality of the fit. The functions which are most supported by the data are determined using the corrected Akaike information criterion. The time-integrated activity coefficient is estimated by analytically integrating the fitted functions. Its standard error is determined assuming Gaussian error propagation. The software was implemented using MATLAB.Results: To validate the proper implementation of the objective function and the fit functions, the results of NUKFIT and SAAM numerical, a commercially available software tool, were compared. The automatic search for starting values was successfully tested for reproducibility. The quality criteria applied in conjunction with the Akaike information criterion allowed the selection of suitable functions. Function fit
Er, Hale Çolakoğlu; Erden, Ayşe; Küçük, N Özlem; Geçim, Ethem
2014-01-01
The aim of this study was to retrospectively assess the correlation between minimum apparent diffusion coefficient (ADCmin) values obtained from diffusion-weighted magnetic resonance imaging (MRI) and maximum standardized uptake values (SUVmax) obtained from positron emission tomography-computed tomography (PET-CT) in rectal cancer. Forty-one patients with pathologically confirmed rectal adenocarcinoma were included in this study. For preoperative staging, PET-CT and pelvic MRI with diffusion-weighted imaging were performed within one week (mean time interval, 3±1 day). For ADC measurements, the region of interest (ROI) was manually drawn along the border of each hyperintense tumor on b=1000 s/mm2 images. After repeating this procedure on each consecutive tumor-containing slice to cover the entire tumoral area, ROIs were copied to ADC maps. ADCmin was determined as the lowest ADC value among all ROIs in each tumor. For SUVmax measurements, whole-body images were assessed visually on transaxial, sagittal, and coronal images. ROIs were determined from the lesions observed on each slice, and SUVmax values were calculated automatically. The mean values of ADCmin and SUVmax were compared using Spearman's test. The mean ADCmin was 0.62±0.19×10-3 mm2/s (range, 0.368-1.227×10-3 mm2/s), the mean SUVmax was 20.07±9.3 (range, 4.3-49.5). A significant negative correlation was found between ADCmin and SUVmax (r=-0.347; P = 0.026). There was a significant negative correlation between the ADCmin and SUVmax values in rectal adenocarcinomas.
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Abdel Razek, Ahmed Abdel Khalek; Abd El-Gaber, Nahed [Mansoura Faculty of Medicine, Department of Diagnostic Radiology, Mansoura (Egypt); Abdalla, Ahmed; Fathy, Abeer [Mansoura Faculty of Medicine, Department of Pediatric, Mansoura (Egypt); Azab, Ahmed [Mansoura Faculty of Medicine, Department of Neurology, Mansoura (Egypt); Rahman, Ashraf Abdel [Radiology Unit of Pediatric Hospital, Mansoura (Egypt)
2009-11-15
The aim of this work is to assess the usefulness of apparent diffusion coefficient (ADC) value of the brain for diagnosis of patients with Gaucher's disease type II and type III. Prospective study was conducted upon 13 patients (nine boys and four girls aged 8 months-14 years: mean 6.1 years) with Gaucher's disease type II and III and for age-matched control group (n = 13). Diffusion-weighted magnetic resonance imaging using a single-shot echo-planar imaging with a diffusion-weighted factor b of 0, 500, and 1,000 s/mm{sup 2} was done for all patients and volunteers. The ADC value was calculated in ten regions of the brain parenchyma and correlated with genotyping. There was significantly lower ADC value of the cortical frontal (P = 0.003), cortical temporal (P = 0.04), frontal subcortical white matter (P = 0.02), corticospinal tract (P = 0.001), cerebellum (P = 0.001), medulla (P = 0.002), and midbrain (P = 0.02) between patients and volunteers. There was significant difference in the ADC value of the frontal and temporal gray matter (P = 0.04 and 0.05, respectively) between patients with heterozygous and homozygous gene mutation. We concluded that ADC value is a new promising quantitative imaging parameter that can be used for the detection of brain abnormalities in patients with Gaucher's disease type II and type III and has a correlation with genotyping. (orig.)
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Fornasa, Francesca; Montemezzi, Stefania [Dept. of Radiology, San Bonifacio Hospital, Verona (Italy)], e-mail: francescafornasa@libero.it
2012-06-15
Background: Diffusion-weighted magnetic resonance imaging (DWI) is increasingly used in the diagnosis of endometrial disease. No complete knowledge, however, exists yet of the influence of physiology on the endometrial apparent diffusion coefficient (ADC) values on which DWI is based. Purpose: To establish whether the ADC values measured with DWI in the endometrium of healthy reproductive-aged women significantly vary from the early proliferative to the periovulatory phase of the menstrual cycle and between the fundus and the isthmus of the uterus. Material and Methods: In 17 women the endometrial ADC values measured on the fifth menstrual day, both at the fundus and at the isthmus of the uterus, were compared to the values obtained on the 14th day before the subsequent cycle. In 81 women (menstrual day: fifth through 21st) the endometrial ADC values measured at the fundus were compared to the values obtained at the isthmus of the uterus. All examinations were performed with a 1.5 T magnet (b values: 0 and 800 mm/s{sup 2}). The results were analyzed by means of Student's t-test per paired data. Results: The endometrial ADC values measured on the fifth day of the menstrual cycle were lower than those obtained in the periovulatory phase both at the fundus (mean 0.923 vs. 1.256 x 10{sup -}3 mm{sup 2}/s) and at the isthmus (mean 1.297 vs. 1.529 x 10{sup -}3 mm{sup 2}/s) of the uterus. The endometrial ADC values measured at the fundus of the uterus were lower than those obtained at the isthmus (mean 1.132 vs. 1.420 x 10{sup -}3 mm{sup 2}/s) through the menstrual cycle. All these differences were highly significant (P < 0.001) at statistical analysis. Conclusion: Physiological variations occurring in endometrial ADC values of healthy women should be considered by the radiologists when interpreting DWI examinations in patients with endometrial disease.
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Oh, Ji-Won, E-mail: fromentin@naver.com [Department of Radiology, Seoul St. Mary' s Hospital, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul 137-701 (Korea, Republic of); Rha, Sung Eun, E-mail: serha@catholic.ac.kr [Department of Radiology, Seoul St. Mary' s Hospital, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul 137-701 (Korea, Republic of); Oh, Soon Nam, E-mail: hiohsn@catholic.ac.kr [Department of Radiology, Seoul St. Mary' s Hospital, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul 137-701 (Korea, Republic of); Park, Michael Yong, E-mail: digirave@kmle.com [Department of Radiology, Seoul St. Mary' s Hospital, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul 137-701 (Korea, Republic of); Byun, Jae Young, E-mail: jybyun@catholic.ac.kr [Department of Radiology, Seoul St. Mary' s Hospital, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul 137-701 (Korea, Republic of); Lee, Ahwon, E-mail: klee@catholic.ac.kr [Department of Hospital Pathology, Seoul St. Mary' s Hospital, College of Medicine, The Catholic University of Korea, 222 Banpo-daero, Seocho-gu, Seoul 137-701 (Korea, Republic of)
2015-04-15
Highlights: •The solid component of all invasive epithelial cancers showed high b{sub 1000} signal intensity. •ADCs can predict the histologic grade of epithelial ovarian cancer. •ADCs correlate negatively to the surgical stage of epithelial ovarian cancer. •ADCs may be useful imaging biomarkers to assess epithelial ovarian cancer. -- Abstract: Objective: The purpose of this article is to correlate the apparent diffusion coefficient (ADC) values of epithelial ovarian cancers with histologic grade and surgical stage. Materials and methods: We enrolled 43 patients with pathologically proven epithelial ovarian cancers for this retrospective study. All patients underwent preoperative pelvic magnetic resonance imaging (MRI) including diffusion-weighted images with b value of 0 and 1000 s/mm{sup 2} at 3.0-T unit. The mean ADC values of the solid portion of the tumor were measured and compared among different histologic grades and surgical stages. Results: The mean ADC values of epithelial ovarian cancers differed significantly between grade 1 (well-differentiated) and grade 2 (moderately-differentiated) (P = 0.013) as well as between grade 1 and grade 3 (poorly-differentiated) (P = 0.01); however, no statistically significant difference existed between grade 2 and grade 3 (P = 0.737). The receiver-operating characteristic analysis indicated that a cutoff ADC value of less than or equal to 1.09 × 10{sup −3} mm{sup 2}/s was associated with 94.4% sensitivity and 85.7% specificity in distinguishing grade 1 and grade 2/3 cancer. The difference in mean ADC values was statistically significant for early stage (FIGO stage I) and advanced stage (FIGO stage II-IV) cancer (P = 0.011). The interobserver agreement for the mean ADC values of epithelial ovarian cancers was excellent. Conclusion: The mean ADC values of the solid portion of epithelial ovarian cancers negatively correlated to histologic grade and surgical stage. The mean ADC values may be useful imaging
Pintado-Herrera, Marina G; Lara-Martín, Pablo A; González-Mazo, Eduardo; Allan, Ian J
2016-09-01
There is a growing interest in assessing the concentration and distribution of new nonregulated organic compounds (emerging contaminants) in the environment. The measurement of freely dissolved concentrations using conventional approaches is challenging because of the low concentrations that may be encountered and their temporally variable emissions. Absorption-based passive sampling enables the estimation of freely dissolved concentrations of hydrophobic contaminants of emerging concern in water. In the present study, calibration was undertaken for 2 polymers, low-density polyethylene (LDPE) and silicone rubber for 11 fragrances, 5 endocrine-disrupting compounds, 7 ultraviolet (UV) filters, and 8 organophosphate flame retardant compounds. Batch experiments were performed to estimate contaminant diffusion coefficients in the polymers (Dp ), which in general decreased with increasing molecular weight. The values for fragrances, endocrine-disrupting compounds, and UV filters were in ranges similar to those previously reported for polycyclic aromatic hydrocarbons, but were 1 order of magnitude lower for organophosphate flame retardant compounds. Silicone rubber had higher Dp values than LDPE and was therefore selected for further experiments to calculate polymer/water partition coefficients (KPW ). The authors observed a positive correlation between log KPW and log octanol/water partition coefficient values. Field testing of silicone rubber passive samplers was undertaken though exposure in the River Alna (Norway) for an exposure time of 21 d to estimate freely dissolved concentration. Some fragrances and UV filters were predominant over other emerging and regulated contaminants, at levels up to 1600 ng L(-1) for galaxolide and 448 ng L(-1) for octocrylene. Environ Toxicol Chem 2016;35:2162-2172. © 2016 SETAC.
Institute of Scientific and Technical Information of China (English)
LIU Changjiu; SONG Sha; LI Yanwei; LIU Aifang
2008-01-01
Rare earth ion (Nd3+/Y3+) and Al3+ codoped α-Ni(OH)2 powers were synthesized by chemical coprecipitation method. The structure was analyzed with X-ray diffraction (XRD) and thermal gravity (TG). Cyclic voltammetry (CV) tests were performed to evaluate the proton diffusion coefficients of the samples. The results indicated that codoping of Y-Al and Nd-Al resulted in more water molecules contained within the crystal lattice and accordingly increased the interlayer spacing. In particular, the Y-Al codoped α-Ni(OH)2 showed a turbostratic structure. The calculated diffusion coefficients of the Y-Al codoped α-Ni(OH)2 and Nd-Al codoped α-Ni(OH)2 were 3.5×10-10 cm2/s and 2.8×10-10 cm2/s, respectively.
O'Flynn, Elizabeth A M; Morgan, Veronica A; Giles, Sharon L; deSouza, Nandita M
2012-07-01
To establish the reproducibility of apparent diffusion coefficient (ADC) measurements in normal fibroglandular breast tissue and to assess variation in ADC values with phase of the menstrual cycle and menopausal status. Thirty-one volunteers (13 premenopausal, 18 postmenopausal) underwent magnetic resonance twice (interval 11-22 days) using diffusion-weighted MRI. ADC(total) and a perfusion-insensitive ADC(high) (omitting b = 0) were calculated. Reproducibility and inter-observer variability of mean ADC values were assessed. The difference in mean ADC values between the two phases of the menstrual cycle and the postmenopausal breast were evaluated. ADC(total) and ADC(high) showed good reproducibility (r% = 17.6, 22.4). ADC(high) showed very good inter-observer agreement (kappa = 0.83). The intraclass correlation coefficients (ICC) were 0.93 and 0.91. Mean ADC values were significantly lower in the postmenopausal breast (ADC(total) 1.46 ± 0.3 × 10(-3) mm(2)/s, ADC(high) 1.33 ± 0.3 × 10(-3) mm(2)/s) compared with the premenopausal breast (ADC(total) 1.84 ± 0.26 × 10(-3) mm(2)/s, ADC(high) 1.77 ± 0.26 × 10(-3) mm(2)/s; both P < 0.001). No significant difference was seen in ADC values in relation to menstrual cycle (ADC(total) P = 0.2, ADC(high) P = 0.24) or between postmenopausal women taking or not taking oestrogen supplements (ADC(total) P = 0.6, ADC(high) P = 0.46). ADC values in fibroglandular breast tissue are reproducible. Lower ADC values within the postmenopausal breast may reduce diffusion-weighted contrast and have implications for accurately detecting tumours. • ADC values from fibroglandular breast tissue are measured reproducibly by multiple observers. • Mean ADC values were significantly lower in postmenopausal than premenopausal breast tissue. • Mean ADC values did not vary significantly with menstrual cycle. • Low postmenopausal ADC values may hinder tumour detection
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Zistler, M.; Wachter, P.; Gores, H.J. [Institut fuer Physikalische und Theoretische Chemie der Universitaet Regensburg, Regensburg (Germany); Wasserscheid, P.; Gerhard, D. [Institut fuer Chemische Reaktionstechnik, Friedrich-Alexander-Universitaet, Erlangen-Nuernberg (Germany); Hinsch, A. [Fraunhofer Institute for Solar Energy Systems ISE, Freiburg (Germany). Department of Materials Research and Applied Optics; Sastrawan, R. [Freiburg Materials Research Center, Freiburg (Germany)
2006-10-05
Results of diffusion coefficient measurements of triiodide in a mixture of two ionic liquids (1-methyl-3-propylimidazolium iodide and 1-butyl-3-methylimidazolium tetrafluoroborate) at 25{sup o}C are described in this paper. Four electrochemical methods for measuring diffusion coefficients of triiodide were evaluated for their reliability and performance, including impedance spectroscopy and polarization measurements at thin layer cells as well as cyclic voltammetry and chronoamperometry at microelectrodes of different radii. Viscosities of the blends were measured to investigate the transport behaviour of triiodide ions used in Gratzel-type dye-sensitized solar cells. (author)
He, Maogang; Guo, Ying; Zhong, Qiu; Zhang, Ying
2009-02-01
In this work, an experimental system based on digital real-time holographic interferometry for measuring the mass diffusion coefficients of fluid is introduced. The method of processing interference fringe hologram is also introduced thoroughly. By uncertainties analysis and experimental verification, the accuracy of this system is validated. The experimental uncertainties in temperature and mass diffusion coefficient are estimated to be no greater than ± 0.16 K and ± 0.2 %, respectively. On this basis, the mass diffusion coefficients of three fuel additives, diethyl 1,6-hexanedioate (diethyl adipate, DEA), dimethyl carbonate (DMC) and diethyl carbonate (DEC) in air were measured at T = (278.15 to 338.15) K under atmospheric pressure, and polynomial was fitted by the experimental data.
Sigaut, Lorena; Villarruel, Cecilia; Ponce, María Laura; Ponce Dawson, Silvina
2017-06-01
Many cell signaling pathways involve the diffusion of messengers that bind and unbind to and from intracellular components. Quantifying their net transport rate under different conditions then requires having separate estimates of their free diffusion coefficient and binding or unbinding rates. In this paper, we show how performing sets of fluorescence correlation spectroscopy (FCS) experiments under different conditions, it is possible to quantify free diffusion coefficients and on and off rates of reaction-diffusion systems. We develop the theory and present a practical implementation for the case of the universal second messenger, calcium (Ca2 +) and single-wavelength dyes that increase their fluorescence upon Ca2 + binding. We validate the approach with experiments performed in aqueous solutions containing Ca2 + and Fluo4 dextran (both in its high and low affinity versions). Performing FCS experiments with tetramethylrhodamine-dextran in Xenopus laevis oocytes, we infer the corresponding free diffusion coefficients in the cytosol of these cells. Our approach can be extended to other physiologically relevant reaction-diffusion systems to quantify biophysical parameters that determine the dynamics of various variables of interest.
Ansari, Rafat R.; Suh, Kwang I.; Sebag, J.
2006-02-01
PURPOSE: Pharmacologic vitreolysis is a new approach to improve vitreo-retinal surgery. Ultimately, the development of drugs to liquefy and detach vitreous from retina should prevent disease by mitigating the contribution of vitreous to retinopathy and eliminate the need for surgery. However, the mechanism of action of pharmacologic vitreolysis remains unclear. The technique of Dynamic light scattering (DLS) was used to evaluate the effects of microplasmin by following the diffusion coefficients of spherical polystyrene nano-particles injected with microplasmin into the vitreous. METHODS: Diffusion coefficients in dissected (n=9) porcine eyes were measured in vitro. DLS was performed on all specimens at 37°C as often as every 10 minutes for up to 6 hours following injections of human recombinant microplasmin at doses ranging from 0.125 mg to 0.8 mg, with 20 nm diameter tracer nanospheres. RESULTS: DLS findings in untreated porcine vitreous were similar to the previously described findings in bovine and human vitreous, demonstrating a fast (early) component, resulting from the flexible hyaluronan molecules, and a slow (late) component, resulting form the stiff collagen molecules. Microplasmin increased porcine vitreous diffusion coefficients. A new approach was developed to use DLS measurements of vitreous diffusion coefficients to evaluate the effects of microplasmin in intact eyes. CONCLUSIONS: Pharmacologic vitreolysis with human recombinant microplasmin increases vitreous diffusion coefficients in vitro. The results of these studies indicate that this new approach using DLS to measure vitreous diffusion coefficients can be used to study the effects of pharmacologic vitreolysis using microplasmin and other agents in intact eyes and ultimately in vivo.
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Giannotti, E., E-mail: ytteb84@hotmail.com [Breast Imaging Department, Ninewells Hospital and Medical School, Dundee DD1 9SY (United Kingdom); Waugh, S., E-mail: shelley.waugh@nhs.net [Department of Medical Physics, Ninewells Hospital and Medical School, Dundee DD1 9SY (United Kingdom); Department of Clinical Radiology, Ninewells Hospital and Medical School, Dundee DD1 9SY (United Kingdom); Priba, L., E-mail: lpriba@nhs.net [Department of Medical Physics, Ninewells Hospital and Medical School, Dundee DD1 9SY (United Kingdom); Davis, Z., E-mail: zoedavis@doctors.org.uk [Breast Imaging Department, Ninewells Hospital and Medical School, Dundee DD1 9SY (United Kingdom); Crowe, E., E-mail: e.crowe@nhs.net [Department of Clinical Radiology, Ninewells Hospital and Medical School, Dundee DD1 9SY (United Kingdom); Vinnicombe, S., E-mail: s.vinnicombe@dundee.ac.uk [Division of Imaging and Technology, Ninewells Hospital and Medical School, University of Dundee, Dundee DD1 9SY (United Kingdom)
2015-09-15
Highlights: • Inter-scan errors have minimal contribution to ADC measurement variability. • Intra-observer measures of ADC values in breast cancer are excellent. • ADC measures in whole tumour are more reproducible than minimum ADC measures. • ADC measurement error is most influenced by multiple readers. - Abstract: Purpose: Apparent Diffusion Coefficient (ADC) measurements are increasingly used for assessing breast cancer response to neoadjuvant chemotherapy although little data exists on ADC measurement reproducibility. The purpose of this work was to investigate and characterise the magnitude of errors in ADC measures that may be encountered in such follow-up studies- namely scanner stability, scan–scan reproducibility, inter- and intra- observer measures and the most reproducible measurement of ADC. Methods: Institutional Review Board approval was obtained for the prospective study of healthy volunteers and written consent acquired for the retrospective study of patient images. All scanning was performed on a 3.0-T MRI scanner. Scanner stability was assessed using an ice-water phantom weekly for 12 weeks. Inter-scan repeatability was assessed across two scans of 10 healthy volunteers (26–61 years; mean: 44.7 years). Inter- and intra-reader analysis repeatability was measured in 52 carcinomas from clinical patients (29–70 years; mean: 50.0 years) by measuring the whole tumor ADC value on a single slice with maximum tumor diameter (ADC{sub S}) and the ADC value of a small region of interest (ROI) on the same slice (ADC{sub min}). Repeatability was assessed using intraclass correlation coefficients (ICC) and coefficients of repeatability (CoR). Results: Scanner stability contributed 6% error to phantom ADC measurements (0.071 × 10{sup −3} mm{sup 2}/s; mean ADC = 1.089 × 10{sup −3} mm{sup 2}/s). The measured scan-scan CoR in the volunteers was 0.122 × 10{sup −3} mm{sup 2}/s, contributing an error of 8% to the mean measured values (ADC
Giannotti, E; Waugh, S; Priba, L; Davis, Z; Crowe, E; Vinnicombe, S
2015-09-01
Apparent Diffusion Coefficient (ADC) measurements are increasingly used for assessing breast cancer response to neoadjuvant chemotherapy although little data exists on ADC measurement reproducibility. The purpose of this work was to investigate and characterise the magnitude of errors in ADC measures that may be encountered in such follow-up studies- namely scanner stability, scan-scan reproducibility, inter- and intra- observer measures and the most reproducible measurement of ADC. Institutional Review Board approval was obtained for the prospective study of healthy volunteers and written consent acquired for the retrospective study of patient images. All scanning was performed on a 3.0-T MRI scanner. Scanner stability was assessed using an ice-water phantom weekly for 12 weeks. Inter-scan repeatability was assessed across two scans of 10 healthy volunteers (26-61 years; mean: 44.7 years). Inter- and intra-reader analysis repeatability was measured in 52 carcinomas from clinical patients (29-70 years; mean: 50.0 years) by measuring the whole tumor ADC value on a single slice with maximum tumor diameter (ADCS) and the ADC value of a small region of interest (ROI) on the same slice (ADCmin). Repeatability was assessed using intraclass correlation coefficients (ICC) and coefficients of repeatability (CoR). Scanner stability contributed 6% error to phantom ADC measurements (0.071×10(-3)mm(2)/s; mean ADC=1.089×10(-3)mm(2)/s). The measured scan-scan CoR in the volunteers was 0.122×10(-3)mm(2)/s, contributing an error of 8% to the mean measured values (ADCscan1=1.529×10(-3)mm(2)/s; ADCscan2=1.507×10(-3)mm(2)/s). Technical and clinical observers demonstrated excellent intra-observer repeatability (ICC>0.9). Clinical observer CoR values were marginally better than technical observer measures (ADCS=0.035×10(-3)mm(2)/s vs. 0.097×10(-3)mm(2)/s; ADCmin=0.09×10(-3)mm(2)/s vs. 0.114×10(-3)mm(2)/s). Inter-reader ICC values were good 0.864 (ADCS) and fair 0.677 (ADCmin
Shalchi, Andreas
2016-01-01
We explore the transport of energetic particles in two-component turbulence in which the stochastic magnetic field is assumed to be a superposition of slab and two-dimensional modes. It is known that in magnetostatic slab turbulence, the motion of particles across the mean magnetic field is subdiffusive. If a two-dimensional component is added, diffusion is recovered. It was also shown before that in two-component turbulence, the slab modes do not explicitly contribute to the perpendicular diffusion coefficient. In the current paper the implicit contribution of slab modes is explored and it is shown that this contribution leads to a reduction of the perpendicular diffusion coefficient. This effect improves the agreement between simulations and analytical theory. Furthermore, the obtained results are relevant for investigations of diffusive shock acceleration.
Directory of Open Access Journals (Sweden)
N. G. Kulneva
2014-01-01
Full Text Available Traditional methods of extraction do not provide the required amount of sucrose extraction from sugar beet pulp. To improve the process it is advisable to use additional methods of processing pulp, including the thermo-physical methods using various coolants. Thermal pre-treatment of sugar beet pulp can increase the period of active extraction, the recovery of sucrose from it and reduce the loss of sugar in the pulp, increase the productivity of diffusion unit. One of the most important criteria for evaluating the efficiency of the extraction process is the value of the molecular diffusion coefficient D, m2/s. The coefficient is a physical constant that characterizes the ability of a substance to penetrate by diffusion in the stationary medium. One of the most promising technological directions that increases the efficiency of the extraction process and accelerates the extraction of sugar from the pulp, is its scalding, as well as the use of different extractants for the diffusion process. The method of extraction sucrose from sugar beet with the application of preliminary scalding of sugar beet samples and the use of solutions of various salts as extractants was proposed. Positive effect of heat treatment on the molecular diffusion coefficient of sucrose from sugar beet was found experimentally. The value of the optimal duration of scalding is 30 seconds. It was found out that the heat treatment of sugar beet samples with the solutions of proposed salts leads to a gradual uniform heating of beet tissues and denaturation of proteins, which increases the diffusion coefficient of the sugar beet tissue sucrose. The maximum value of the diffusion coefficient is achieved by using as an extractant solution of ammonium sulfate (NH42SO4. The optimal value of the duration of contact of sugar beet pulp and the proposed reactant was determined and it accounted 30 seconds.
PFLOW: A 3-D Numerical Modeling Tool for Calculating Fluid-Pressure Diffusion from Coulomb Strain
Wolf, L. W.; Lee, M.; Meir, A.; Dyer, G.; Ma, K.; Chan, C.
2009-12-01
A new 3D time-dependent pore-pressure diffusion model PFLOW is developed to investigate the response of pore fluids to the crustal deformation generated by strong earthquakes in heterogeneous geologic media. Given crustal strain generated by changes in Coulomb stress, this MATLAB-based code uses Skempton's coefficient to calculate resulting changes fluid pressure. Pore-pressure diffusion can be tracked over time in a user-defined model space with user-prescribed Neumann or Dirchilet boundary conditions and with spatially variable values of permeability. PFLOW employs linear or quadratic finite elements for spatial discretization and first order or second order, explicit or implicit finite difference discretization in time. PFLOW is easily interfaced with output from deformation modeling programs such as Coulomb (Toda et al., 2007) or 3D-DEF (Gomberg and Ellis, 1994). The code is useful for investigating to first-order the evolution of pore pressure changes induced by changes in Coulomb stress and their possible relation to water-level changes in wells or changes in stream discharge. It can also be used for student research and classroom instruction. As an example application, we calculate the coseismic pore pressure changes and diffusion induced by volumetric strain associated with the 1999 Chi-Chi earthquake (Mw = 7.6) in Taiwan. The Chi-Chi earthquake provides an unique opportunity to investigate the spatial and time-dependent poroelastic response of near-field rocks and sediments because there exist extensive observational data of water-level changes and crustal deformation. The integrated model allows us to explore whether changes in Coulomb stress can adequately explain hydrologic anomalies observed in areas such as Taiwan’s western foothills and the Choshui River alluvial plain. To calculate coseismic strain, we use the carefully calibrated finite fault-rupture model of Ma et al. (2005) and the deformation modeling code Coulomb 3.1 (Toda et al., 2007
Ferrero, L; Mocnik, G; Ferrini, B S; Perrone, M G; Sangiorgi, G; Bolzacchini, E
2011-06-15
Vertical profiles of aerosol number-size distribution and black carbon (BC) concentration were measured between ground-level and 500m AGL over Milan. A tethered balloon was fitted with an instrumentation package consisting of the newly-developed micro-Aethalometer (microAeth® Model AE51, Magee Scientific, USA), an optical particle counter, and a portable meteorological station. At the same time, PM(2.5) samples were collected both at ground-level and at a high altitude sampling site, enabling particle chemical composition to be determined. Vertical profiles and PM(2.5) data were collected both within and above the mixing layer. Absorption coefficient (b(abs)) profiles were calculated from the Aethalometer data: in order to do so, an optical enhancement factor (C), accounting for multiple light-scattering within the filter of the new microAeth® Model AE51, was determined for the first time. The value of this parameter C (2.05±0.03 at λ=880nm) was calculated by comparing the Aethalometer attenuation coefficient and aerosol optical properties determined from OPC data along vertical profiles. Mie calculations were applied to the OPC number-size distribution data, and the aerosol refractive index was calculated using the effective medium approximation applied to aerosol chemical composition. The results compare well with AERONET data. The BC and b(abs) profiles showed a sharp decrease at the mixing height (MH), and fairly constant values of b(abs) and BC were found above the MH, representing 17±2% of those values measured within the mixing layer. The BC fraction of aerosol volume was found to be lower above the MH: 48±8% of the corresponding ground-level values. A statistical mean profile was calculated, both for BC and b(abs), to better describe their behaviour; the model enabled us to compute their average behaviour as a function of height, thus laying the foundations for valid parametrizations of vertical profile data which can be useful in both remote sensing
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
The diffusion coefficients** ofl-lysine hydrochloride andl-arginine hydrochloride in their aqueous solu- tions at 25℃ were determined by the metallic diaphragm cell method which is characterized by accuracy, promptness and convenience. Meanwhile, the densities and viscosities of the solutions were also determined. Based on all these data a semi-empirical model for correlating the diffusion coefficients of solid organic salts in their aqueous solutions at 25℃ was proposed. The fitting result of this model is comparatively satisfactory. Compared to a former model, Gordon Model, this model can avoid a number of difficulties and arduous work.
Vermorel, Romain; Oulebsir, Fouad; Galliero, Guillaume
2017-09-01
The computation of diffusion coefficients in molecular systems ranks among the most useful applications of equilibrium molecular dynamics simulations. However, when dealing with the problem of fluid diffusion through vanishingly thin interfaces, classical techniques are not applicable. This is because the volume of space in which molecules diffuse is ill-defined. In such conditions, non-equilibrium techniques allow for the computation of transport coefficients per unit interface width, but their weak point lies in their inability to isolate the contribution of the different physical mechanisms prone to impact the flux of permeating molecules. In this work, we propose a simple and accurate method to compute the diffusional transport coefficient of a pure fluid through a planar interface from equilibrium molecular dynamics simulations, in the form of a diffusion coefficient per unit interface width. In order to demonstrate its validity and accuracy, we apply our method to the case study of a dilute gas diffusing through a smoothly repulsive single-layer porous solid. We believe this complementary technique can benefit to the interpretation of the results obtained on single-layer membranes by means of complex non-equilibrium methods.
Energy Technology Data Exchange (ETDEWEB)
Pruet, J; Brown, D A; Descalle, M
2006-05-22
The authors describe tools developed by the Computational Nuclear Physics group for testing the quality of internally developed nuclear data and the fidelity of translations from ENDF formatted data to ENDL formatted data used by Livermore. These tests include S{sub n} calculations for the effective k value characterizing critical assemblies and for replacement coefficients of different materials embedded in the Godiva and Jezebel critical assemblies. For those assemblies and replacement materials for which reliable experimental information is available, these calculations provide an integral check on the quality of data. Because members of the ENDF and reactor communities use calculations for these same assemblies in their validation process, a comparison between their results with ENDF formatted data and their results with data translated into the ENDL format provides a strong check on the accuracy of translations. As a first application of the test suite they present a study comparing ENDL 99 and ENDF/B-V. They also consider the quality of the ENDF/B-V translation previously done by the Computational Nuclear Physics group. No significant errors are found.
Saluja, Atul; Fesinmeyer, R. Matthew; Hogan, Sabine; Brems, David N.; Gokarn, Yatin R
2010-01-01
The concentration-dependence of the diffusion and sedimentation coefficients (kD and ks, respectively) of a protein can be used to determine the second virial coefficient (B2), a parameter valuable in predicting protein-protein interactions. Accurate measurement of B2 under physiologically and pharmaceutically relevant conditions, however, requires independent measurement of kD and ks via orthogonal techniques. We demonstrate this by utilizing sedimentation velocity (SV) and dynamic light sca...
Guilet, Jérôme; Ogilvie, Gordon I.
2012-08-01
Standard models of accretion discs study the transport of mass on a viscous time-scale but do not consider the transport of magnetic flux. The evolution of a large-scale poloidal magnetic field is, however, an important problem because of its role in the launching of jets and winds and in determining the intensity of turbulence. As a consequence, the transport of poloidal magnetic flux should be considered on an equal basis to the transport of mass. In this paper, we develop a formalism to study such a transport of mass and magnetic flux in a thin accretion disc. The governing equations are derived by performing an asymptotic expansion in the limit of a thin disc, in the regime where the magnetic field is dominated by its vertical component. Turbulent viscosity and resistivity are included, with an arbitrary vertical profile that can be adjusted to mimic the vertical structure of the turbulence. At a given radius and time, the rates of transport of mass and magnetic flux are determined by a one-dimensional problem in the vertical direction, in which the radial gradients of various quantities appear as source terms. We solve this problem to obtain the transport rates and the vertical structure of the disc. This paper is then restricted to the idealized case of uniform diffusion coefficients, while a companion paper will study more realistic vertical profiles of these coefficients. We show the advection of weak magnetic fields to be significantly faster than the advection of mass, contrary to what a crude vertical averaging might suggest. This results from the larger radial velocities away from the mid-plane, which barely affect the mass accretion owing to the low density in these regions but do affect the advection of magnetic flux. Possible consequences of this larger accretion velocity include a potentially interesting time dependence with the magnetic flux distribution evolving faster than the mass distribution. If the disc is not too thin, this fast advection
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Dallaudière, Benjamin, E-mail: benjamin.dallaudiere@gmail.com [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Hôpital Bichat – Claude Bernard, Inserm U698, 46, rue Henri Huchard, Paris 75018 (France); Université Paris Diderot, Paris (France); Dautry, Raphaël, E-mail: raphael_dautry@yahoo.fr [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Université Paris Diderot, Paris (France); Preux, Pierre-Marie, E-mail: pierre-marie.preux@unilim.fr [Faculté de Médecine de Limoges, Unité fonctionelle de recherche clinique et de biostatistique, hôpital Le Cluzeau, 23, avenue Dominique Larrey, 87042 Limges Cedex (France); Perozziello, Anne, E-mail: aperozziello@gmail.com [Université Paris Diderot, Paris (France); Hôpital Bichat – Claude Bernard, Unité de recherche clinique, 46, rue Henri Huchard, Paris 75018 (France); Lincot, Julien, E-mail: julienlincot@gmail.com [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Schouman-Claeys, Elisabeth, E-mail: elisabeth.schouman-claeys@bch.aphp.fr [Hôpital Bichat – Claude Bernard, Service de Radiologie, 46, rue Henri Huchard, Paris 75018 (France); Université Paris Diderot, Paris (France); and others
2014-02-15
Objective: The goal of this study was to evaluate whether the values of ADC in spondylarthritis axial active inflammatory lesions are different from ADC values in type 1 Modic changes. Subjects and methods: 95 patients with recent lumbar pain, including 46 patients with diagnosed or suspected spondylarthritis and 49 patients with purely degenerative history, underwent spine MRI. T1w, STIR, and diffusion-weighted images (DWI) were obtained. Two musculoskeletal radiologists interpreted the images. Axial active inflammatory lesions from the SpA group and type 1 Modic changes from the degenerative group were identified on T1w and STIR sequences. ADC values from these lesions and from healthy subchondral bone were compared. Results: All axial active inflammatory lesions (n = 27) and type 1 Modic changes (n = 22) identified in T1w and STIR images were visible on DWI. ADC values were significantly higher (p < 0.05) for axial active inflammatory lesions (median = 0.788 × 10{sup −3} mm{sup 2}/s, IQR 25–75 [0.7 × 10{sup −3} mm{sup 2}/s; 0.9 × 10{sup −3} mm{sup 2}/s]) than for type 1 Modic changes (median = 0.585 × 10{sup −3} mm{sup 2}/s, IQR 25–75 [0.55 × 10{sup −3} mm{sup 2}/s; 0.60 × 10{sup −3} mm{sup 2}/s]) and normal subchondral bone (median = 0.443 × 10{sup −3} mm{sup 2}/s, IQR 25–75 [0.40 × 10{sup −3} mm{sup 2}/s; 0.50 × 10{sup −3} mm{sup 2}/s]). Intra-class correlation coefficients for intra- and inter-reader ADC values comparison were excellent (0.89 and 0.98 respectively). Conclusion: DWI is a sensitive and fast sequence that offer the possibility of quantifying diffusion coefficients of the lesions, which could help to discriminate between spondylarthritis axial active inflammatory and type 1 Modic changes.
Inoue, Chie; Fujii, Shinya; Kaneda, Sachi; Fukunaga, Takeru; Kaminou, Toshio; Kigawa, Junzo; Harada, Tasuku; Ogawa, Toshihide
2015-01-01
To correlate the apparent diffusion coefficient (ADC) of endometrioid carcinoma with histological tumor grade and degree of myometrial invasion. 3T diffusion-weighted (DW) magnetic resonance (MR) images of 63 patients were retrospectively reviewed. Two readers measured tumor ADC according to a freehand region of interest (ROI) and a round ROI. Mean and minimum ADCs were correlated with prognostic parameters. The minimum ADC was 0.64 × 10(-3) mm(2)/s for grade 1 (G1, n = 42), 0.62 for grade 2 (G2, n = 14), 0.46 for grade 3 (G3, n = 7) on freehand ROI. There were significant differences between G1 and G3 (P = 0.007), and G2 and G3 (P = 0.038). No significant correlation was found between tumor grade and mean ADC (0.85 for G1, 0.82 for G2, and 0.72 for G3, P = 0.166). The minimum ADC was significantly lower for patients with deep (n = 21, 0.54) than for those with superficial (n = 39, 0.65) myometrial invasion. Conversely, mean ADC did not differ significantly (0.84 for superficial and 0.78 for deep myometrial invasion, P = 0.081). The same tendency was shown on round ROI. The minimum ADC correlates with prognostic parameters of endometrial carcinoma more strongly than mean ADC. Lower minimum ADC is associated with higher histological tumor grade and higher degree of myometrial invasion. © 2013 Wiley Periodicals, Inc.
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Tsili, Athina C., E-mail: a_tsili@yahoo.gr [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Ntorkou, Alexandra, E-mail: alexdorkou@yahoo.com [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Baltogiannis, Dimitrios, E-mail: Greece.dbaltog@cc.uoi.gr [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Goussia, Anna, E-mail: agoussia@uoi.gr [Department of Pathology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Astrakas, Loukas G., E-mail: astrakas@uoi.gr [Department of Medical Physics, Medical School, University of Ioannina, 45110 Ioannina (Greece); Malamou-Mitsi, Vasiliki, E-mail: vmalamou@cc.uoi.gr [Department of Pathology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Sofikitis, Nikolaos, E-mail: akrosnin@hotmail.com [Department of Urology, Medical School, University of Ioannina, 45110 Ioannina (Greece); Argyropoulou, Maria I., E-mail: margyrop@cc.uoi.gr [Department of Radiology, Medical School, University of Ioannina, 45110 Ioannina (Greece)
2015-05-15
Highlights: • ADC values proved useful in the discrimination between TGCNs and normal testis. • Testicular intraepithelial neoplasia represents the precursor of most TGCNs. • ADC values cannot be used to detect testicular intraepithelial neoplasia. - Abstract: Introduction: The aim of this study is to improve detection of testicular intraepithelial neoplasia (TIN) by measurement of apparent diffusion coefficient (ADC) values. Materials and methods: Fifty-six MRI examinations of the scrotum, including 26 histologically proven testicular germ cell neoplasms were retrospectively evaluated. DWI was performed using a single shot, multi-slice spin-echo planar diffusion pulse sequence and b-values of 0 and 900 s mm{sup −2}. ADC measurements were classified into three groups according to their location: group 1 (n = 19), non-tumoral part, adjacent to testicular carcinoma, where the possible location of TIN was; group 2 (n = 26), testicular carcinoma; and group 3 (n = 60), normal testicular parenchyma. Analysis of variance (ANOVA) followed by post hoc analysis (Dunnett T3) was used for statistical purposes. Results: The mean ± s.d. of ADC values (×10{sup −3} mm{sup 2}/s) of different groups were: group 1, 1.08 ± 0.20; group 2, 0.72 ± 0.27; and group 3, 1.11 ± 0.14. ANOVA revealed differences of mean ADC between groups (F = 38.859, P < 0.001). Post hoc analysis showed differences between groups 2 and 3 (P < 0.001), groups 2 and 1 (P < 0.001), but not between groups 3 and 1 (P = 0.87). Conclusions: Based on our preliminary results, ADC values do not provide a reliable differentiation between TIN and testicular carcinoma or normal testicular parenchyma.
Light-element diffusion in Mg using first-principles calculations: Anisotropy and elastodiffusion
Agarwal, Ravi; Trinkle, Dallas R.
2016-08-01
The light-elemental solutes B, C, N, and O can penetrate the surface of Mg alloys and diffuse during heat treatment or high temperature application, forming undesirable compounds. We investigate the diffusion of these solutes by determining their stable interstitial sites and the interpenetrating network formed by these sites. We use density functional theory (DFT) to calculate the site energies, migration barriers, and attempt frequencies for these networks to inform our analytical model for bulk diffusion. Due to the nature of the networks, O diffuses isotropically, while B, C, and N diffuse anisotropically. We compute the elastodiffusion tensor which quantifies changes in diffusivity due to small strains that perturb the diffusion network geometry and the migration barriers. The DFT-computed elastic dipole tensor which quantifies the change in site energies and migration barriers due to small strains is used as an input to determine the elastodiffusion tensor. We employ the elastodiffusion tensor to determine the effect of thermal strains on interstitial diffusion and find that B, C, and N diffusivity increases on crystal expansion, while O diffusivity decreases. From the elastodiffusion and compliance tensors we calculate the activation volume of diffusion and find that it is positive and anisotropic for B, C, and N diffusion, whereas it is negative and isotropic for O diffusion.
Directory of Open Access Journals (Sweden)
Lei Li
2015-01-01
Full Text Available The ab initio calculations about the properties of the interstitials doping in the rutile TiO2 and their impact on the transport coefficients are reported. As the doping of the Zr or Ti interstitials in the TiO2, the lattice Ti4+ ions acquire the excess electrons so reduced to the Ti3+ or Ti2+ ions. However, the Cu interstitials could not lose enough electrons to reduce the lattice Ti4+ ions. Furthermore, the Ti or Cu interstitials in the ZrO2 also are unable to promote the lattice Zr4+ ions to form the lattice Zr3+ or Zr2+ ions. The high transport coefficients are observed in the defected TiO2 with the Ti or Zr interstitials as the high concentration of the Ti3+ or Ti2+ ions. So, the Zr interstitials are the favorable choice for the extra-doping to improve the transport properties in the TiO2-based resistive random access memory.
Energy Technology Data Exchange (ETDEWEB)
Huerst, C.; Schulz, A.; Wittig, S. [Univ. Karlsruhe (Germany). Lehrstuhl und Inst. fuer Thermische Stroemungsmaschinen
1995-04-01
The present study compares measured and computed heat transfer coefficients for high-speed boundary layer nozzle flows under engine Reynolds number conditions (U{sub {infinity}} = 230 {divided_by} 880 m/s, Re* = 0.37 {divided_by} 1.07 {times} 10{sup 6}). Experimental data have been obtained by heat transfer measurements in a two-dimensional, nonsymmetric, convergent-divergent nozzle. The nozzle wall is convectively cooled using water passages. The coolant heat transfer data and nozzle surface temperatures are used as boundary conditions for a three-dimensional finite-element code, which is employed to calculate the temperature distribution inside the nozzle wall. Heat transfer coefficients along the hot gas nozzle wall are derived from the temperature gradients normal to the surface. The results are compared with numerical heat transfer predictions using the low-Reynolds-number {kappa}-{epsilon} turbulence model by Lam and Bremhorst. Influence of compressibility in the transport equations for the turbulence properties is taken into account by using the local averaged density. The results confirm that this simplification leads to good results for transonic and low supersonic flows.
Calculation of thermal conductivity coefficients of electrons in magnetized dense matter
Bisnovatyi-Kogan, G S
2016-01-01
The solution of Boltzmann equation for plasma in magnetic field, with arbitrarily degenerate electrons and non-degenerate nuclei, is obtained by Chapman-Enskog method. Functions, generalizing Sonin polynomials are used for obtaining an approximate solution. Fully ionized plasma is considered. The tensor of the heat conductivity coefficients in non-quantized magnetic field is calculated. For non-degenerate and strongly degenerate plasma the asymptotic analytic formulas are obtained, which are compared with results of previous authors. The Lorentz approximation, with neglecting of electron-electron encounters, is asymptotically exact for strongly degenerate plasma. For non-degenerate plasma the solution at 3-function approximation for Lorentz gas deviate from the exact solution for about 2.2\\%, at zero magnetic field. We obtain the solution for the heat conductivity tensor for the case of non-degenerate electrons, in presence of a magnetic field, in three polynomial approximation with account of electron-electr...
Ablinger, A; Blümlein, J; De Freitas, A; Hasselhuhn, A; von Manteuffel, A; Raab, C; Round, M; Schneider, C; Wißbrock, F
2014-01-01
We report on our latest results in the calculation of the three-loop heavy flavor contributions to the Wilson coefficients in deep-inelastic scattering in the asymptotic region $Q^2 \\gg m^2$. We discuss the different methods used to compute the required operator matrix elements and the corresponding Feynman integrals. These methods very recently allowed us to obtain a series of new operator matrix elements and Wilson coefficients like the flavor non-singlet and pure singlet Wilson coefficients.
Subdiffusion and lateral diffusion coefficient of lipid atoms and molecules in phospholipid bilayers
Flenner, Elijah; Rheinstadter, Maikel C; Kosztin, Ioan
2008-01-01
We use a long, all-atom molecular dynamics (MD) simulation combined with theoretical modeling to investigate the dynamics of selected lipid atoms and lipid molecules in a hydrated diyristoyl-phosphatidylcholine (DMPC) lipid bilayer. From the analysis of a 0.1 $\\mu$s MD trajectory we find that the time evolution of the mean square displacement, [\\delta{r}(t)]^2, of lipid atoms and molecules exhibits three well separated dynamical regions: (i) ballistic, with [\\delta{r}(t)]^2 ~ t^2 for t 30 ns. We propose a memory function approach for calculating [\\delta{r}(t)]^2 over the entire time range extending from the ballistic to the Fickian diffusion regimes. The results are in very good agreement with the ones from the MD simulations. We also examine the implications of the presence of the subdiffusive dynamics of lipids on the self-intermediate scattering function and the incoherent dynamics structure factor measured in neutron scattering experiments.
Zhan, Yuefu; Liang, Xianwen; Han, Xiangjun; Chen, Jianqiang; Zhang, Shufang; Tan, Shun; Li, Qun; Wang, Xiong; Liu, Fan
2017-02-28
To explore the correlation between the apparent diffusion coefficient (ADC) and mRNA expression of tissue inhibitor of metalloproteinase-1 (TIMP-1) in different stages of liver fibrosis in rats. Methods: A model of liver fibrosis in rats was established by intraperitoneal injection of high-fat diet combined with porcine serum. After drug administration for 4 weeks, 48 rats served as a model group and 12 rats served as a control group, then they underwent diffusion weighted imaging (DWI) scanning. The value of ADC was calculated at b value=800 s/mm2. The rats were sacrificed and carried out pathologic examination after DWI scanning immediately. The mRNA expression of TIMP-1 was detected by real time-polymerase chain reaction (RT-PCR). The rats of hepatic fibrosis were also divided into a S0 group (n=4), a S1 group (n=11), a S2 group (n=12), a S3 group (n=10), and a S4 group (n=9) according to their pathological stage. The value of ADC and the expression of TIMP-1 mRNA among the different stage groups of liver fibrosis were compared, and the correlation between ADC and the TIMP-1 mRNA were analyzed. Results: The ADC value and the TIMP-1 mRNA expression were significantly different between the control group and the liver fibrosis group (F=46.54 and 53.87, P0.05). For the comparison of TIMP-1 mRNA, there was no significant difference between the S1 group and the S2 group, the S3 group and the S4 group (both P>0.05). There were significant differences among the rest of the groups (all Pcorrelation analysis showed that there was a negative correlation between the ADC value and the TIMP-1 mRNA expression (r=-0.76, Pcorrelation between them.
Kwon, Nam Hee; Yin, Hui; Vavrova, Tatiana; Lim, Jonathan H.-W.; Steiner, Ullrich; Grobéty, Bernard; Fromm, Katharina M.
2017-02-01
Nanoparticles of LiMnPO4 were fabricated in rod, elongated as well as cubic shapes. The 1D Li+ preferred diffusion direction for each shape was determined via electron diffraction spot patterns. The shape of nano-LiMnPO4 varied the diffusion coefficient of Li+ because the Li+ diffusion direction and the path length were different. The particles with the shortest dimension along the b-axis provided the highest diffusion coefficient, resulting in the highest gravimetric capacity of 135, 100 and 60 mAh g-1 at 0.05C, 1C and 10C, respectively. Using ball-milling, a higher loading of nano-LiMnPO4 in the electrode was achieved, increasing the volumetric capacity to 263 mAh cm-3, which is ca. 3.5 times higher than the one obtained by hand-mixing of electrode materials. Thus, the electrochemical performance is governed by both the diffusion coefficient of Li+, which is dependent on the shape of LiMnPO4 nanoparticles and the secondary composite structure.
Isotopic mass-dependence of metal cation diffusion coefficients in liquid water
Energy Technology Data Exchange (ETDEWEB)
Bourg, I.C.; Richter, F.M.; Christensen, J.N.; Sposito, G.
2009-01-11
Isotope distributions in natural systems can be highly sensitive to the mass (m) dependence of solute diffusion coefficients (D) in liquid water. Isotope geochemistry studies routinely have assumed that this mass dependence either is negligible (as predicted by hydrodynamic theories) or follows a kinetic-theory-like inverse square root relationship (D {proportional_to} m{sup -0.5}). However, our recent experimental results and molecular dynamics (MD) simulations showed that the mass dependence of D is intermediate between hydrodynamic and kinetic theory predictions (D {proportional_to} m{sup -{beta}} with 0 {<=} {beta} < 0.2 for Li{sup +}, Cl{sup -}, Mg{sup 2+}, and the noble gases). In this paper, we present new MD simulations and experimental results for Na{sup +}, K{sup +}, Cs{sup +}, and Ca{sup 2+} that confirm the generality of the inverse power-law relation D {proportional_to} m{sup -{beta}}. Our new findings allow us to develop a general description of the influence of solute valence and radius on the mass dependence of D for monatomic solutes in liquid water. This mass dependence decreases with solute radius and with the magnitude of solute valence. Molecular-scale analysis of our MD simulation results reveals that these trends derive from the exponent {beta} being smallest for those solutes whose motions are most strongly coupled to solvent hydrodynamic modes.
Silva, Antonio
2005-03-01
It is well-known that the mathematical theory of Brownian motion was first developed in the Ph. D. thesis of Louis Bachelier for the French stock market before Einstein [1]. In Ref. [2] we studied the so-called Heston model, where the stock-price dynamics is governed by multiplicative Brownian motion with stochastic diffusion coefficient. We solved the corresponding Fokker-Planck equation exactly and found an analytic formula for the time-dependent probability distribution of stock price changes (returns). The formula interpolates between the exponential (tent-shaped) distribution for short time lags and the Gaussian (parabolic) distribution for long time lags. The theoretical formula agrees very well with the actual stock-market data ranging from the Dow-Jones index [2] to individual companies [3], such as Microsoft, Intel, etc. [] [1] Louis Bachelier, ``Th'eorie de la sp'eculation,'' Annales Scientifiques de l''Ecole Normale Sup'erieure, III-17:21-86 (1900).[] [2] A. A. Dragulescu and V. M. Yakovenko, ``Probability distribution of returns in the Heston model with stochastic volatility,'' Quantitative Finance 2, 443--453 (2002); Erratum 3, C15 (2003). [cond-mat/0203046] [] [3] A. C. Silva, R. E. Prange, and V. M. Yakovenko, ``Exponential distribution of financial returns at mesoscopic time lags: a new stylized fact,'' Physica A 344, 227--235 (2004). [cond-mat/0401225
Tamellini, Lorenzo
2016-01-05
In this talk we discuss possible strategies to minimize the impact of the curse of dimensionality effect when building sparse-grid approximations of a multivariate function u = u(y1, ..., yN ). More precisely, we present a knapsack approach , in which we estimate the cost and the error reduction contribution of each possible component of the sparse grid, and then we choose the components with the highest error reduction /cost ratio. The estimates of the error reduction are obtained by either a mixed a-priori / a-posteriori approach, in which we first derive a theoretical bound and then tune it with some inexpensive auxiliary computations (resulting in the so-called quasi-optimal sparse grids ), or by a fully a-posteriori approach (obtaining the so-called adaptive sparse grids ). This framework is very general and can be used to build quasi-optimal/adaptive sparse grids on bounded and unbounded domains (e.g. u depending on uniform and normal random distributions for yn), using both nested and non-nested families of univariate collocation points. We present some theoretical convergence results as well as numerical results showing the efficiency of the proposed approach for the approximation of the solution of elliptic PDEs with random diffusion coefficients. In this context, to treat the case of rough permeability fields in which a sparse grid approach may not be suitable, we propose to use the sparse grids as a control variate in a Monte Carlo simulation.
Henderson, Terry J
2010-02-01
A panel of 15 biological toxins ranging between approximately 60-28,000 g/mol was used to evaluate the feasibility of screening aqueous samples for toxin analytes based on their translational diffusion coefficients, D(t). Toxin D(t) values were measured by pulsed-field gradient (1)H NMR spectroscopy using a bipolar pulse pair, longitudinal eddy current delay pulse sequence incorporating water suppression to achieve the maximum dynamic range for toxin signals. To collect data for an effective screening protocol, reference D(t) values were determined from five independent measurements at both 25 and 37 degrees C for all toxins in the panel. In the protocol, D(t) values are measured at both temperatures for a suspected toxin target in a sample, and for assignment as a potential toxin analyte, the measurements are required to fall within +/-0.25 x 10(-6) cm(2)/s of both reference D(t) values for at least one toxin in the panel. Only solution viscosity was found to influence sample D(t) measurements appreciably; however, the measurements are easily corrected for viscosity effects by calculating the D(t) value of the suspected toxin at infinite dilution. In conclusion, the protocol provides a rapid and effective means for screening aqueous samples for all toxins in the panel, narrowing toxin identification to < or = 2 possibilities in virtually all cases.
Energy Technology Data Exchange (ETDEWEB)
Bickel, Hubert; Pinker, Katja; Polanec, Stephan; Magometschnigg, Heinrich; Wengert, Georg; Spick, Claudio; Helbich, Thomas H.; Baltzer, Pascal [Medical University Vienna, Division of Molecular and Gender Imaging, Department of Biomedical Imaging and Image-Guided Therapy, Vienna (Austria); Bogner, Wolfgang [Medical University Vienna - MR Center of Excellence, Department of Biomedical Imaging and Image-Guided Therapy, Vienna (Austria); Bago-Horvath, Zsuzsanna [Medical University Vienna, Department of Pathology, Vienna (Austria)
2017-05-15
To investigate the influence of region-of-interest (ROI) placement and different apparent diffusion coefficient (ADC) parameters on ADC values, diagnostic performance, reproducibility and measurement time in breast tumours. In this IRB-approved, retrospective study, 149 histopathologically proven breast tumours (109 malignant, 40 benign) in 147 women (mean age 53.2) were investigated. Three radiologists independently measured minimum, mean and maximum ADC, each using three ROI placement approaches:1 - small 2D-ROI, 2 - large 2D-ROI and 3 - 3D-ROI covering the whole lesion. One reader performed all measurements twice. Median ADC values, diagnostic performance, reproducibility, and measurement time were calculated and compared between all combinations of ROI placement approaches and ADC parameters. Median ADC values differed significantly between the ROI placement approaches (p <.001). Minimum ADC showed the best diagnostic performance (AUC.928-.956), followed by mean ADC obtained from 2D ROIs (.926-.94). Minimum and mean ADC showed high intra- (ICC.85-.94) and inter-reader reproducibility (ICC.74-.94). Median measurement time was significantly shorter for the 2D ROIs (p <.001). ROI placement significantly influences ADC values measured in breast tumours. Minimum and mean ADC acquired from 2D-ROIs are useful for the differentiation of benign and malignant breast lesions, and are highly reproducible, with rapid measurement. (orig.)
Large scale steam flow test: Pressure drop data and calculated pressure loss coefficients
Energy Technology Data Exchange (ETDEWEB)
Meadows, J.B.; Spears, J.R.; Feder, A.R.; Moore, B.P.; Young, C.E. [Bettis Atomic Power Lab., Pittsburgh, PA (United States)
1993-12-01
This report presents the result of large scale steam flow testing, 3 million to 7 million lbs/hr., conducted at approximate steam qualities of 25, 45, 70 and 100 percent (dry, saturated). It is concluded from the test data that reasonable estimates of piping component pressure loss coefficients for single phase flow in complex piping geometries can be calculated using available engineering literature. This includes the effects of nearby upstream and downstream components, compressibility, and internal obstructions, such as splitters, and ladder rungs on individual piping components. Despite expected uncertainties in the data resulting from the complexity of the piping geometry and two-phase flow, the test data support the conclusion that the predicted dry steam K-factors are accurate and provide useful insight into the effect of entrained liquid on the flow resistance. The K-factors calculated from the wet steam test data were compared to two-phase K-factors based on the Martinelli-Nelson pressure drop correlations. This comparison supports the concept of a two-phase multiplier for estimating the resistance of piping with liquid entrained into the flow. The test data in general appears to be reasonably consistent with the shape of a curve based on the Martinelli-Nelson correlation over the tested range of steam quality.
Moroz, Oleg N
2011-01-01
The shear and the bulk viscosities of the hadron gas at low temperatures are studied in the model with constant elastic cross sections being relativistic generalization of the hard spheres model. One effective radius ${r=0.4 fm}$ is chosen for all elastic collisions. Only elastic collisions are considered which are supposed to be dominant at temperatures ${T\\leq 120-140 MeV}$. The calculations are done in the framework of the Boltzmann equation with the Boltzmann statistics distribution functions and the ideal gas equation of state. The applicability of these approximations is discussed. It's found that the bulk viscosity of the hadron gas is much larger than the bulk viscosity of the pion gas while the shear viscosity is found to be less sensitive to the mass spectrum of hadrons. The constant cross sections and the Boltzmann statistics approximation allows one not only to conduct precise numerical calculations of transport coefficients in the hadron gas but also to obtain some relatively simple relativistic ...
Liu, Zhong-Hua; Li, Yun-Mei; Li, Rui-Yun; Lü, Heng; Tan, Jing; Guo, Yu-Long
2012-02-01
Diffuse attenuation coefficient is not only an important optical parameter, but also an important factor of water ecological system. Two datasets measured in April 2009 and May 2010 were firstly used to calculate absorption coefficient [a (490)] and backscattering coefficient [b(b) (490)] at 490 nm, and then, the relationship between b(b) (490) and simulated remote sensing reflectance at different bands of HJ-1 was studied. The semi-analytical model of Kd (490) in Lake Taihu in spring was constructed based on this basis, and it was used to estimate Kd (490) of Lake Taihu via an image of HJ-1 finally. The results show that: 1) The values of a(490) and b(b)(490) can be calculated accurately based on optical closure principle, and the mean absolute percent error (MAPE) of a(490) between calculated and measured is 17.1%. In addition, the backscattering coefficient at 490 nm [b(b) (490)] exponentially relate with the simulated remote sensing reflectance at the fourth band of HJ-1; 2) The semi-analytical model constructed in this study has good accuracy and stability. The MAPE is 21.6% and RMSE is 1.68 m(-1) by comparing inversion result and quasi-synchronous measured data; 3) Kd (490) of Lake Taihu in spring differs a lot in space distribution. The values are relatively smaller in north and east part of Lake Taihu, but larger in west and south part.
DEFF Research Database (Denmark)
Zhelezny, Petr; Shapiro, Alexander
2006-01-01
is demonstrated. A series of such experiments was carried out. Several samples of carbonaceous and sandstone rock were investigated. The diffusion coefficients in porous media were determined by measuring the concentration of salt in different slices of a sample as a function of time. In cases where stable values...
Directory of Open Access Journals (Sweden)
Jimmy Chi Hung Fung
2016-01-01
Full Text Available The modeling of the eddy diffusion coefficients (also known as eddy diffusivity in the first-order turbulence closure schemes is important for the typhoon simulations, since the coefficients control the magnitude of the sensible heat flux and the latent heat flux, which are energy sources for the typhoon intensification. Profiles of the eddy diffusion coefficients in the YSU planetary boundary layer (PBL scheme are evaluated in the advanced research WRF (ARW system. Three versions of the YSU scheme (original, K025, and K200 are included in this study. The simulation results are compared with the observational data from track, center sea-level pressure (CSLP, and maximum surface wind speed (MWSP. Comparing with the original version, the K200 improves the averaged mean absolute errors (MAE of track, CSLP, and MWSP by 6.0%, 3.7%, and 23.1%, respectively, while the K025 deteriorates the averaged MAEs of track, CSLP, and MWSP by 25.1%, 19.0%, and 95.0%, respectively. Our results suggest that the enlarged eddy diffusion coefficients may be more suitable for super typhoon simulations.
Rusina, T.; Smedes, F.; Klanova, J.
2010-01-01
Diffusion coefficients (D) of polychlorinated biphenyls (PCBs) and polycyclic aromatic hydrocarbons (PAHs) were determined by film-stacking technique in low-density polyethylene (LDPE) and two types of polydimethylsiloxane (PDMS) (also known as silicone rubber, SR) with the trade names AlteSil (TM)
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Rundle-Thiele, Dayle [Centre for Clinical Research, University of Queensland, Brisbane, Queensland (Australia); Day, Bryan; Stringer, Brett [Brain Cancer Research Unit, Queensland Institute of Medical Research, Brisbane, Queensland (Australia); Fay, Michael [Department of Radiation Oncology, Royal Brisbane and Women' s Hospital, Brisbane, Queensland (Australia); Martin, Jennifer [Discipline of Clinical Pharmacology, School of Medicine and Public Health, University of Newcastle, Newcastle, New South Wales (Australia); Jeffree, Rosalind L [Department of Neurosurgery, Royal Brisbane and Women' s Hospital, Brisbane, Queensland (Australia); Thomas, Paul [Queensland PET Service, Royal Brisbane and Women' s Hospital, Brisbane, Queensland (Australia); Bell, Christopher [Centre for Clinical Research, University of Queensland, Brisbane, Queensland (Australia); Salvado, Olivier [CSIRO Digital Productivity Flagship, CSIRO, Herston, Queensland (Australia); Gal, Yaniv [Centre for Medical Diagnostic Technologies in Queensland, University of Queensland, Brisbane, Queensland (Australia); Coulthard, Alan [Discipline of Medical Imaging, University of Queensland, St Lucia, Queensland (Australia); Department of Medical Imaging, Royal Brisbane and Women' s Hospital, Brisbane, Queensland (Australia); Crozier, Stuart [Centre for Medical Diagnostic Technologies in Queensland, University of Queensland, Brisbane, Queensland (Australia); Rose, Stephen, E-mail: stephen.rose@csiro.au [CSIRO Digital Productivity Flagship, CSIRO, Herston, Queensland (Australia); Centre for Clinical Research, University of Queensland, Brisbane, Queensland (Australia)
2015-06-15
Accurate knowledge of O{sup 6}-methylguanine methyltransferase (MGMT) gene promoter subtype in patients with glioblastoma (GBM) is important for treatment. However, this test is not always available. Pre-operative diffusion MRI (dMRI) can be used to probe tumour biology using the apparent diffusion coefficient (ADC); however, its ability to act as a surrogate to predict MGMT status has shown mixed results. We investigated whether this was due to variations in the method used to analyse ADC. We undertook a retrospective study of 32 patients with GBM who had MGMT status measured. Matching pre-operative MRI data were used to calculate the ADC within contrast enhancing regions of tumour. The relationship between ADC and MGMT was examined using two published ADC methods. A strong trend between a measure of ‘minimum ADC’ and methylation status was seen. An elevated minimum ADC was more likely in the methylated compared to the unmethylated MGMT group (U = 56, P = 0.0561). In contrast, utilising a two-mixture model histogram approach, a significant reduction in mean measure of the ‘low ADC’ component within the histogram was associated with an MGMT promoter methylation subtype (P < 0.0246). This study shows that within the same patient cohort, the method selected to analyse ADC measures has a significant bearing on the use of that metric as a surrogate marker of MGMT status. Thus for dMRI data to be clinically useful, consistent methods of data analysis need to be established prior to establishing any relationship with genetic or epigenetic profiling.
Energy Technology Data Exchange (ETDEWEB)
Higaki, M.; Otsuka, T.; Hashizume, K. [Interdisciplinary Graduate School of Engineering and Sciences, Kyushu University, Kasuga, Fukuoka (Japan); Tokunaga, K. [Research Institute of Applied Mechanics, Kyushu University, Kasuga, Fukuoka (Japan); Ezato, K.; Suzuki, S.; Enoeda, M.; Akiba, M. [Japan Atomic Energy Agency - JAEA, Naka, Ibaraki (Japan)
2015-03-15
Hydrogen diffusion coefficients in a reduced activation ferritic/martensitic steel (F82H) and an oxide dispersion strengthened F82H (ODS-F82H) have been determined from depth profiles of plasma-loaded hydrogen with a tritium imaging plate technique (TIPT) in the temperature range from 298 K to 523 K. Data on hydrogen diffusion coefficients, D, in F82H, are summarized as D [m{sup 2}*s{sup -1}] =1.1*10{sup -7}exp(-16[kJ mol{sup -1}]/RT). The present data indicate almost no trapping effect on hydrogen diffusion due to an excess entry of energetic hydrogen by the plasma loading, which results in saturation of the trapping sites at the surface and even in the bulk. In the case of ODS-F82H, data of hydrogen diffusion coefficients are summarized as D [m{sup 2}*s{sup -1}] =2.2*10{sup -7}exp(-30[kJ mol{sup -1}]/RT) indicating a remarkable trapping effect on hydrogen diffusion caused by tiny oxide particles (Y{sub 2}O{sub 3}) in the bulk of F82H. Such oxide particles introduced in the bulk may play an effective role not only on enhancement of mechanical strength but also on suppression of hydrogen penetration by plasma loading.
Lannon, Herbert; Brujic, Jasna
2012-01-01
We present force-clamp data on the collapse of ubiquitin polyproteins in response to a quench in the force. These nonequilibrium trajectories are analyzed using a general method based on a diffusive assumption of the end-to-end length to reconstruct a downhill free energy profile at 5pN and an energy plate