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Sample records for agar-well diffusion method

  1. Antimicrobial Activity of Endodontic Medicaments and Vehicles using Agar Well Diffusion Method on Facultative and Obligate Anaerobes

    PubMed Central

    Bhat, Kishore G; Sogi, Suma

    2016-01-01

    Aims The aim of this study was to determine the relative antimicrobial effectiveness of these endodontic medicaments and various vehicles using an agar well diffusion assay. Materials and methods Double Antibiotic Paste(DAP), modified DAP, 2% Chlorhexidine gluconate and their combination with four vehicles namely Polyethylene glycol 400 (PEG), Propylene glycol (PG), combinations of PG with PEG and lastly Glycerine were tested using agar well diffusion assay. The minimum bactericidal concentration was noted against four standard strains of organisms ie Streptococcus mutans ATCC( American Type Culture Collection) 25175, Staphylococcus aureus ATCC 12598, Enterococcus faecalis ATCC 35550 and Eschericia coli ATCC 25922. Successful endodontic therapy depends upon thorough disinfection of root canals. In some refractory cases, routine endodontic therapy is not sufficient, so intracanal medicaments are used for proper disinfection of canals. Issues of resistance, limited spectrum of activity and lack of antifungal properties, the hunt for the ideal intracanal medicament continues. In this regard, the vehicles used to form the pastes play a supportive role by forming the appropriate consistency for placement and may dramatically influence their chemical characteristics like their solubility and diffusion. Thus, inorder to use safer and equally effective intracanal medicaments, Chlorhexidine gluconate is being unveiled in this study. Results The difference between the four vehicles when combined with the same endodontic medicament studied above is nonsignificant (NS) except against Porphyromonas gingivalis. Propylene glycol is significantly effective than Glycerine when used with DAP ie C+M medicament combination. (p = 0.029) Conclusion 2% chlorhexidine gluconate and modified DAP can definitely replace DAP and triple antibiotic paste as end-odontic medicaments with chlorhexidine having an added advantage of bactericidal action, substantivity, biocompatibility, low toxicity

  2. Mathematical Methods for Diffusion MRI Processing

    PubMed Central

    Lenglet, C.; Campbell, J.S.W.; Descoteaux, M.; Haro, G.; Savadjiev, P.; Wassermann, D.; Anwander, A.; Deriche, R.; Pike, G.B.; Sapiro, G.; Siddiqi, K.; Thompson, P.

    2009-01-01

    In this article, we review recent mathematical models and computational methods for the processing of diffusion Magnetic Resonance Images, including state-of-the-art reconstruction of diffusion models, cerebral white matter connectivity analysis, and segmentation techniques. We focus on Diffusion Tensor Images (DTI) and Q-Ball Images (QBI). PMID:19063977

  3. Clustering method for estimating principal diffusion directions

    PubMed Central

    Nazem-Zadeh, Mohammad-Reza; Jafari-Khouzani, Kourosh; Davoodi-Bojd, Esmaeil; Jiang, Quan; Soltanian-Zadeh, Hamid

    2012-01-01

    Diffusion tensor magnetic resonance imaging (DTMRI) is a non-invasive tool for the investigation of white matter structure within the brain. However, the traditional tensor model is unable to characterize anisotropies of orders higher than two in heterogeneous areas containing more than one fiber population. To resolve this issue, high angular resolution diffusion imaging (HARDI) with a large number of diffusion encoding gradients is used along with reconstruction methods such as Q-ball. Using HARDI data, the fiber orientation distribution function (ODF) on the unit sphere is calculated and used to extract the principal diffusion directions (PDDs). Fast and accurate estimation of PDDs is a prerequisite for tracking algorithms that deal with fiber crossings. In this paper, the PDDs are defined as the directions around which the ODF data is concentrated. Estimates of the PDDs based on this definition are less sensitive to noise in comparison with the previous approaches. A clustering approach to estimate the PDDs is proposed which is an extension of fuzzy c-means clustering developed for orientation of points on a sphere. MDL (Minimum description length) principle is proposed to estimate the number of PDDs. Using both simulated and real diffusion data, the proposed method has been evaluated and compared with some previous protocols. Experimental results show that the proposed clustering algorithm is more accurate, more resistant to noise, and faster than some of techniques currently being utilized. PMID:21642005

  4. A Mapping method for mixing with diffusion

    NASA Astrophysics Data System (ADS)

    Schlick, Conor P.; Christov, Ivan C.; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

    2012-11-01

    We present an accurate and efficient computational method for solving the advection-diffusion equation in time-periodic chaotic flows. The method uses operator splitting which allows advection and diffusion steps to be treated independently. Taking advantage of flow periodicity, the advection step is solved with a mapping method, and diffusion is added discretely after each iteration of the advection map. This approach allows for a ``composite'' mapping matrix to be constructed for an entire period of a chaotic advection-diffusion process, which provides a natural approach to the spectral analysis of mixing. To test the approach, we consider the two-dimensional time-periodic sine flow. When compared to the exact solution for this simple velocity field, the operator splitting method exhibits qualitative agreement (overall concentration structure) for large time steps and is quantitatively accurate (average and maximum error) for small time steps. We extend the operator splitting approach to three-dimensional chaotic flows. Funded by NSF Grant CMMI-1000469. Present affiliation: Princeton University. Supported by NSF Grant DMS-1104047.

  5. Diffusion method of seperating gaseous mixtures

    DOEpatents

    Pontius, Rex B.

    1976-01-01

    A method of effecting a relatively large change in the relative concentrations of the components of a gaseous mixture by diffusion which comprises separating the mixture into heavier and lighter portions according to major fraction mass recycle procedure, further separating the heavier portions into still heavier subportions according to a major fraction mass recycle procedure, and further separating the lighter portions into still lighter subportions according to a major fraction equilibrium recycle procedure.

  6. Three-dimensional Diffusive Strip Method

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  7. Matrix methods for reflective inverse diffusion

    NASA Astrophysics Data System (ADS)

    Burgi, Kenneth W.; Marciniak, Michael A.; Nauyoks, Stephen E.; Oxley, Mark E.

    2016-09-01

    Reflective inverse diffusion is a method of refocusing light scattered by a rough surface. An SLM is used to shape the wavefront of a HeNe laser at 632.8-nm wavelength to produce a converging phase front after reflection. Iterative methods previously demonstrated intensity enhancements of the focused spot over 100 times greater than the surrounding background speckle. This proof-of-concept method was very time consuming and the algorithm started over each time the desired location of the focus spot in the observation plane was moved. Transmission matrices have been developed to control light scattered by transmission through a turbid media. Time varying phase maps are applied to an SLM and used to interrogate the phase scattering properties of the material. For each phase map, the resultant speckle intensity pattern is recorded less than 1 mm from the material surface and represents an observation plane of less than 0.02 mm2. Fourier transforms are used to extract the phase scattering properties of the material from the intensity measurements. We investigate the effectiveness this method for constructing the reflection matrix (RM) of a diffuse reflecting medium where the propagation distances and observation plane are almost 1,000 times greater than the previous work based on transmissive scatter. The RM performance is based on its ability to refocus reflectively scattered light to a single focused spot or multiple foci in the observation plane. Diffraction-based simulations are used to corroborate experimental results.

  8. Adiabatic optimization versus diffusion Monte Carlo methods

    NASA Astrophysics Data System (ADS)

    Jarret, Michael; Jordan, Stephen P.; Lackey, Brad

    2016-10-01

    Most experimental and theoretical studies of adiabatic optimization use stoquastic Hamiltonians, whose ground states are expressible using only real nonnegative amplitudes. This raises a question as to whether classical Monte Carlo methods can simulate stoquastic adiabatic algorithms with polynomial overhead. Here we analyze diffusion Monte Carlo algorithms. We argue that, based on differences between L1 and L2 normalized states, these algorithms suffer from certain obstructions preventing them from efficiently simulating stoquastic adiabatic evolution in generality. In practice however, we obtain good performance by introducing a method that we call Substochastic Monte Carlo. In fact, our simulations are good classical optimization algorithms in their own right, competitive with the best previously known heuristic solvers for MAX-k -SAT at k =2 ,3 ,4 .

  9. Diffuse-Interface Methods in Fluid Mechanics

    NASA Technical Reports Server (NTRS)

    Anderson, D. M.; McFadden, G. B.; Wheeler, A. A.

    1997-01-01

    The authors review the development of diffuse-interface models of hydrodynamics and their application to a wide variety of interfacial phenomena. The authors discuss the issues involved in formulating diffuse-interface models for single-component and binary fluids. Recent applications and computations using these models are discussed in each case. Further, the authors address issues including sharp-interface analyses that relate these models to the classical free-boundary problem, related computational approaches to describe interfacial phenomena, and related approaches describing fully-miscible fluids.

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

    PubMed

    Chen, Chih-Lung; Wang, Tsing-Hai; Lee, Ching-Hor; Teng, Shi-Ping

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

  11. Fokas method for a multi-domain linear reaction-diffusion equation with discontinuous diffusivity

    NASA Astrophysics Data System (ADS)

    Asvestas, M.; Sifalakis, A. G.; Papadopoulou, E. P.; Saridakis, Y. G.

    2014-03-01

    Motivated by proliferation-diffusion mathematical models for studying highly diffusive brain tumors, that also take into account the heterogeneity of the brain tissue, in the present work we consider a multi-domain linear reaction-diffusion equation with a discontinuous diffusion coefficient. For the solution of the problem at hand we implement Fokas transform method by directly following, and extending in this way, our recent work for a white-gray-white matter brain model pertaining to high grade gliomas. Fokas's novel approach for the solution of linear PDE problems, yields novel integral representations of the solution in the complex plane that, for appropriately chosen integration contours, decay exponentially fast and converge uniformly at the boundaries. Combining these method-inherent advantages with simple numerical quadrature rules, we produce an efficient method, with fast decaying error properties, for the solution of the discontinuous reaction-diffusion problem.

  12. Variational methods in steady state diffusion problems

    SciTech Connect

    Lee, C.E.; Fan, W.C.P.; Bratton, R.L.

    1983-01-01

    Classical variational techniques are used to obtain accurate solutions to the multigroup multiregion one dimensional steady state neutron diffusion equation. Analytic solutions are constructed for benchmark verification. Functionals with cubic trial functions and conservational lagrangian constraints are exhibited and compared with nonconservational functionals with respect to neutron balance and to relative flux and current at interfaces. Excellent agreement of the conservational functionals using cubic trial functions is obtained in comparison with analytic solutions.

  13. Lattice Boltzmann method for the fractional advection-diffusion equation.

    PubMed

    Zhou, J G; Haygarth, P M; Withers, P J A; Macleod, C J A; Falloon, P D; Beven, K J; Ockenden, M C; Forber, K J; Hollaway, M J; Evans, R; Collins, A L; Hiscock, K M; Wearing, C; Kahana, R; Villamizar Velez, M L

    2016-04-01

    Mass transport, such as movement of phosphorus in soils and solutes in rivers, is a natural phenomenon and its study plays an important role in science and engineering. It is found that there are numerous practical diffusion phenomena that do not obey the classical advection-diffusion equation (ADE). Such diffusion is called abnormal or superdiffusion, and it is well described using a fractional advection-diffusion equation (FADE). The FADE finds a wide range of applications in various areas with great potential for studying complex mass transport in real hydrological systems. However, solution to the FADE is difficult, and the existing numerical methods are complicated and inefficient. In this study, a fresh lattice Boltzmann method is developed for solving the fractional advection-diffusion equation (LabFADE). The FADE is transformed into an equation similar to an advection-diffusion equation and solved using the lattice Boltzmann method. The LabFADE has all the advantages of the conventional lattice Boltzmann method and avoids a complex solution procedure, unlike other existing numerical methods. The method has been validated through simulations of several benchmark tests: a point-source diffusion, a boundary-value problem of steady diffusion, and an initial-boundary-value problem of unsteady diffusion with the coexistence of source and sink terms. In addition, by including the effects of the skewness β, the fractional order α, and the single relaxation time τ, the accuracy and convergence of the method have been assessed. The numerical predictions are compared with the analytical solutions, and they indicate that the method is second-order accurate. The method presented will allow the FADE to be more widely applied to complex mass transport problems in science and engineering.

  14. Lattice Boltzmann method for the fractional advection-diffusion equation

    NASA Astrophysics Data System (ADS)

    Zhou, J. G.; Haygarth, P. M.; Withers, P. J. A.; Macleod, C. J. A.; Falloon, P. D.; Beven, K. J.; Ockenden, M. C.; Forber, K. J.; Hollaway, M. J.; Evans, R.; Collins, A. L.; Hiscock, K. M.; Wearing, C.; Kahana, R.; Villamizar Velez, M. L.

    2016-04-01

    Mass transport, such as movement of phosphorus in soils and solutes in rivers, is a natural phenomenon and its study plays an important role in science and engineering. It is found that there are numerous practical diffusion phenomena that do not obey the classical advection-diffusion equation (ADE). Such diffusion is called abnormal or superdiffusion, and it is well described using a fractional advection-diffusion equation (FADE). The FADE finds a wide range of applications in various areas with great potential for studying complex mass transport in real hydrological systems. However, solution to the FADE is difficult, and the existing numerical methods are complicated and inefficient. In this study, a fresh lattice Boltzmann method is developed for solving the fractional advection-diffusion equation (LabFADE). The FADE is transformed into an equation similar to an advection-diffusion equation and solved using the lattice Boltzmann method. The LabFADE has all the advantages of the conventional lattice Boltzmann method and avoids a complex solution procedure, unlike other existing numerical methods. The method has been validated through simulations of several benchmark tests: a point-source diffusion, a boundary-value problem of steady diffusion, and an initial-boundary-value problem of unsteady diffusion with the coexistence of source and sink terms. In addition, by including the effects of the skewness β , the fractional order α , and the single relaxation time τ , the accuracy and convergence of the method have been assessed. The numerical predictions are compared with the analytical solutions, and they indicate that the method is second-order accurate. The method presented will allow the FADE to be more widely applied to complex mass transport problems in science and engineering.

  15. A microfluidic method to measure small molecule diffusion in hydrogels.

    PubMed

    Evans, Stephanie M; Litzenberger, Andrew L; Ellenberger, Anne E; Maneval, James E; Jablonski, Erin L; Vogel, Brandon M

    2014-02-01

    Drug release from a fluid-contacting biomaterial is simulated using a microfluidic device with a channel defined by solute-loaded hydrogel; as water is pumped through the channel, solute transfers from the hydrogel into the water. Optical analysis of in-situ hydrogels, characterization of the microfluidic device effluent, and NMR methods were used to find diffusion coefficients of several dyes (model drugs) in poly(ethylene glycol) diacrylate (PEG-DA) hydrogels. Diffusion coefficients for methylene blue and sulforhodamine 101 in PEG-DA calculated using the three methods are in good agreement; both dyes are mobile in the hydrogel and elute from the hydrogel at the aqueous channel interface. However, the dye acid blue 22 deviates from typical diffusion behavior and does not release as expected from the hydrogel. Importantly, only the microfluidic method is capable of detecting this behavior. Characterizing solute diffusion with a combination of NMR, optical and effluent methods offer greater insight into molecular diffusion in hydrogels than employing each technique individually. The NMR method made precise measurements for solute diffusion in all cases. The microfluidic optical method was effective for visualizing diffusion of the optically active solutes. The optical and effluent methods show potential to be used to screen solutes to determine if they elute from a hydrogel in contact with flowing fluid. Our data suggest that when designing a drug delivery device, analyzing the diffusion from the molecular level to the device level is important to establish a complete picture of drug elution, and microfluidic methods to study such diffusion can play a key role.

  16. Thermal diffusivity measurements in porous ceramics by photothermal methods

    NASA Astrophysics Data System (ADS)

    Sánchez-Lavega, A.; Salazar, A.; Ocariz, A.; Pottier, L.; Gomez, E.; Villar, L. M.; Macho, E.

    We present a study of the use of photothermal methods to measure the thermal diffusivity of porous ceramic materials as an alternative to other conventional methods. Specifically, we discuss the use of three modulated techniques - thermoreflectance, IR radiometry, and the mirage effect - as complementary tools. Measurements of `local' and `global' thermal diffusivity are presented for a set of SiC samples of various porosities. In particular, the thermal diffusivity of three samples of SiC of different porosities is measured (by the mirage technique) as a function of temperature in the range from ambient to 1000 K.

  17. The method for detecting diffusion ring diameter in Hemagglutinin measuring

    NASA Astrophysics Data System (ADS)

    Jing, Wenbo; Liu, Xue; Duan, Jin; Wang, Xiao-man

    2014-11-01

    The diffuser ring diameter measurement is the most critical in hemagglutinin Measuring. The traditional methods, such as a vernier caliper or high-definition scanned images are subjective and low for the measurement data reliability. Propose high-resolution diffusion ring image for drop-resolution processing, adaptive Canny operator and local detection method to extract complete and clear diffusion ring boundaries, and finally make use of polynomial interpolation algorithm to make diffusion ring outer boundary pixel coordinates achieve sub-pixel accuracy and the least-squares fitting circle algorithm to calculate the precise center of the circle and the diameter of the diffuser ring. Experimental results show that the method detection time is only 63.61ms, which is a faster speed; diffuser ring diameter estimation error can achieve 0.55 pixel, high stability in experimental data. This method is adapted to the various types of influenza vaccine hemagglutinin content measurements, and has important value in the influenza vaccine quality detection.

  18. Practical method for diffusion welding of steel plate in air.

    NASA Technical Reports Server (NTRS)

    Moore, T. J.; Holko, K. H.

    1972-01-01

    Description of a simple and easily applied method of diffusion welding steel plate in air which does not require a vacuum furnace or hot press. The novel feature of the proposed welding method is that diffusion welds are made in air with deadweight loading. In addition, the use of an autogenous (self-generated) surface-cleaning principle (termed 'auto-vac cleaning') to reduce the effects of surface oxides that normally hinder diffusion welding is examined. A series of nine butt joints were diffusion welded in thick sections of AISI 1020 steel plate. Diffusion welds were attempted at three welding temperatures (1200, 1090, and 980 C) using a deadweight pressure of 34,500 N/sq m (5 psi) and a two-hour hold time at temperature. Auto-vac cleaning operations prior to welding were also studied for the same three temperatures. Results indicate that sound welds were produced at the two higher temperatures when the joints were previously fusion seal welded completely around the periphery. Also, auto-vac cleaning at 1200 C for 2-1/2 hours prior to diffusion welding was highly beneficial, particularly when subsequent welding was accomplished at 1090 C.

  19. Diffusion-equation method for crystallographic figure of merits.

    PubMed

    Markvardsen, Anders J; David, William I F

    2010-09-01

    Global optimization methods play a significant role in crystallography, particularly in structure solution from powder diffraction data. This paper presents the mathematical foundations for a diffusion-equation-based optimization method. The diffusion equation is best known for describing how heat propagates in matter. However, it has also attracted considerable attention as the basis for global optimization of a multimodal function [Piela et al. (1989). J. Phys. Chem. 93, 3339-3346]. The method relies heavily on available analytical solutions for the diffusion equation. Here it is shown that such solutions can be obtained for two important crystallographic figure-of-merit (FOM) functions that fully account for space-group symmetry and allow the diffusion-equation solution to vary depending on whether atomic coordinates are fixed or not. The resulting expression is computationally efficient, taking the same order of floating-point operations to evaluate as the starting FOM function measured in terms of the number of atoms in the asymmetric unit. This opens the possibility of implementing diffusion-equation methods for crystallographic global optimization algorithms such as structure determination from powder diffraction data.

  20. Leapfrog/Finite Element Method for Fractional Diffusion Equation

    PubMed Central

    Zhao, Zhengang; Zheng, Yunying

    2014-01-01

    We analyze a fully discrete leapfrog/Galerkin finite element method for the numerical solution of the space fractional order (fractional for simplicity) diffusion equation. The generalized fractional derivative spaces are defined in a bounded interval. And some related properties are further discussed for the following finite element analysis. Then the fractional diffusion equation is discretized in space by the finite element method and in time by the explicit leapfrog scheme. For the resulting fully discrete, conditionally stable scheme, we prove an L 2-error bound of finite element accuracy and of second order in time. Numerical examples are included to confirm our theoretical analysis. PMID:24955431

  1. The Flux-integral Method for Multidimensional Convection and Diffusion

    NASA Technical Reports Server (NTRS)

    Leonard, B. P.; Macvean, M. K.; Lock, A. P.

    1994-01-01

    The flux-integral method is a procedure for constructing an explicit, single-step, forward-in-time, conservative, control volume update of the unsteady, multidimensional convection-diffusion equation. The convective plus diffusive flux at each face of a control-volume cell is estimated by integrating the transported variable and its face-normal derivative over the volume swept out by the convecting velocity field. This yields a unique description of the fluxes, whereas other conservative methods rely on nonunique, arbitrary pseudoflux-difference splitting procedures. The accuracy of the resulting scheme depends on the form of the subcell interpolation assumed, given cell-average data. Cellwise constant behavior results in a (very artificially diffusive) first-order convection scheme. Second-order convection-diffusion schemes correspond to cellwise linear (or bilinear) subcell interpolation. Cellwise quadratic subcell interpolants generate a highly accurate convection-diffusion scheme with excellent phase accuracy. Under constant-coefficient conditions, this is a uniformly third-order polynomial interpolation algorithm (UTOPIA).

  2. Modeling the flow in diffuse interface methods of solidification

    NASA Astrophysics Data System (ADS)

    Subhedar, A.; Steinbach, I.; Varnik, F.

    2015-08-01

    Fluid dynamical equations in the presence of a diffuse solid-liquid interface are investigated via a volume averaging approach. The resulting equations exhibit the same structure as the standard Navier-Stokes equation for a Newtonian fluid with a constant viscosity, the effect of the solid phase fraction appearing in the drag force only. This considerably simplifies the use of the lattice Boltzmann method as a fluid dynamics solver in solidification simulations. Galilean invariance is also satisfied within this approach. Further, we investigate deviations between the diffuse and sharp interface flow profiles via both quasiexact numerical integration and lattice Boltzmann simulations. It emerges from these studies that the freedom in choosing the solid-liquid coupling parameter h provides a flexible way of optimizing the diffuse interface-flow simulations. Once h is adapted for a given spatial resolution, the simulated flow profiles reach an accuracy comparable to quasiexact numerical simulations.

  3. Analytical method to estimate resin cement diffusion into dentin

    NASA Astrophysics Data System (ADS)

    de Oliveira Ferraz, Larissa Cristina; Ubaldini, Adriana Lemos Mori; de Oliveira, Bruna Medeiros Bertol; Neto, Antonio Medina; Sato, Fracielle; Baesso, Mauro Luciano; Pascotto, Renata Corrêa

    2016-05-01

    This study analyzed the diffusion of two resin luting agents (resin cements) into dentin, with the aim of presenting an analytical method for estimating the thickness of the diffusion zone. Class V cavities were prepared in the buccal and lingual surfaces of molars (n=9). Indirect composite inlays were luted into the cavities with either a self-adhesive or a self-etch resin cement. The teeth were sectioned bucco-lingually and the cement-dentin interface was analyzed by using micro-Raman spectroscopy (MRS) and scanning electron microscopy. Evolution of peak intensities of the Raman bands, collected from the functional groups corresponding to the resin monomer (C-O-C, 1113 cm-1) present in the cements, and the mineral content (P-O, 961 cm-1) in dentin were sigmoid shaped functions. A Boltzmann function (BF) was then fitted to the peaks encountered at 1113 cm-1 to estimate the resin cement diffusion into dentin. The BF identified a resin cement-dentin diffusion zone of 1.8±0.4 μm for the self-adhesive cement and 2.5±0.3 μm for the self-etch cement. This analysis allowed the authors to estimate the diffusion of the resin cements into the dentin. Fitting the MRS data to the BF contributed to and is relevant for future studies of the adhesive interface.

  4. Protein crystallization in low gravity by step gradient diffusion method

    NASA Astrophysics Data System (ADS)

    Sygusch, Jurgen; Coulombe, René; Cassanto, John M.; Sportiello, Michael G.; Todd, Paul

    1996-05-01

    Two-step crystallization experiments were conducted in low gravity employing a liquid-liquid diffusion method in an effort to eliminate problems associated with protein crystal growth under the supersaturating conditions required for nucleation. Experiments were performed in diffusion cells formed by the sliding of blocks on orbit. Step gradient diffusion experiments consisted of first exposing protein solutions in diffusion half-wells for brief periods to initiating buffer solutions of high precipitant concentrations to induce nucleation followed by exposure of the same protein solutions to solutions of lower precipitant concentration to promote growth of induced nuclei into crystals. To avoid convective disturbances that occur when solutions of discrepant densities are interfaced at normal gravity, crystallization of hen egg-white lysozyme and rabbit skeletal muscle aldolase by step gradient diffusion was investigated in low gravity on four NASA space shuttle flights. In general, the largest crystals of both proteins formed at the highest initiating precipitant concentration used, which is consistent with nuclei formation upon brief exposure to high precipitant concentration, and that these nuclei are competent for sustained growth at lower precipitant concentration. The two-step approach dissociates nucleation events from crystal growth allowing parameters affecting nucleation kinetics such as time, precipitant concentration and temperature of nucleation to be varied separately from conditions used for post-nucleation growth.

  5. An effective phase shift diffusion equation method for analysis of PFG normal and fractional diffusions.

    PubMed

    Lin, Guoxing

    2015-10-01

    Pulsed field gradient (PFG) diffusion measurement has a lot of applications in NMR and MRI. Its analysis relies on the ability to obtain the signal attenuation expressions, which can be obtained by averaging over the accumulating phase shift distribution (APSD). However, current theoretical models are not robust or require approximations to get the APSD. Here, a new formalism, an effective phase shift diffusion (EPSD) equation method is presented to calculate the APSD directly. This is based on the idea that the gradient pulse effect on the change of the APSD can be viewed as a diffusion process in the virtual phase space (VPS). The EPSD has a diffusion coefficient, K(β)(t)D rad(β)/s(α), where α is time derivative order and β is a space derivative order, respectively. The EPSD equations of VPS are built based on the diffusion equations of real space by replacing the diffusion coefficients and the coordinate system (from real space coordinate to virtual phase coordinate). Two different models, the fractal derivative model and the fractional derivative model from the literature were used to build the EPSD fractional diffusion equations. The APSD obtained from solving these EPSD equations were used to calculate the PFG signal attenuation. From the fractal derivative model the attenuation is exp(-γ(β)g(β)δ(β)Df1t(α)), a stretched exponential function (SEF) attenuation, while from the fractional derivative model the attenuation is Eα,1(-γ(β)g(β)δ(β)Df2t(α)), a Mittag-Leffler function (MLF) attenuation. The MLF attenuation can be reduced to SEF attenuation when α=1, and can be approximated as a SEF attenuation when the attenuation is small. Additionally, the effect of finite gradient pulse widths (FGPW) is calculated. From the fractal derivative model, the signal attenuation including FGPW effect is exp[ -Df1∫0(τ) K(β)(t)dt(α)]. The results obtained in this study are in good agreement with the results in literature. Several expressions that

  6. Split operator method for fluorescence diffuse optical tomography using anisotropic diffusion regularisation with prior anatomical information

    PubMed Central

    Correia, Teresa; Aguirre, Juan; Sisniega, Alejandro; Chamorro-Servent, Judit; Abascal, Juan; Vaquero, Juan J.; Desco, Manuel; Kolehmainen, Ville; Arridge, Simon

    2011-01-01

    Fluorescence diffuse optical tomography (fDOT) is an imaging modality that provides images of the fluorochrome distribution within the object of study. The image reconstruction problem is ill-posed and highly underdetermined and, therefore, regularisation techniques need to be used. In this paper we use a nonlinear anisotropic diffusion regularisation term that incorporates anatomical prior information. We introduce a split operator method that reduces the nonlinear inverse problem to two simpler problems, allowing fast and efficient solution of the fDOT problem. We tested our method using simulated, phantom and ex-vivo mouse data, and found that it provides reconstructions with better spatial localisation and size of fluorochrome inclusions than using the standard Tikhonov penalty term. PMID:22091447

  7. Thermal diffusivity of nonflat plates using the flash method

    SciTech Connect

    Salazar, Agustin; Fuente, Raquel; Apinaniz, Estibaliz; Mendioroz, Arantza

    2011-01-15

    The flash method is the standard technique to measure the thermal diffusivity of solid samples. It consists of heating the front surface of an opaque sample by a brief light pulse and detecting the temperature evolution at its rear surface. The thermal diffusivity is obtained by measuring the time corresponding to the half maximum of the temperature rise, which only depends on the sample thickness and thermal diffusivity through a simple formula. Up to now, the flash method has been restricted to flat samples. In this work, we extend the flash method to measure the thermal diffusivity of nonflat samples. In particular, we focus on plates with cylindrical and spherical shapes. The theoretical model indicates that the same expression for flat samples can also be applied to cylindrical and spherical plates, except for extremely curved samples. Accordingly, a curvature limit for the application of the expression for flat samples is established. Flash measurements on lead foils of cylindrical shape confirm the validity of the model.

  8. Thermal diffusivity of nonflat plates using the flash method

    NASA Astrophysics Data System (ADS)

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

    2011-01-01

    The flash method is the standard technique to measure the thermal diffusivity of solid samples. It consists of heating the front surface of an opaque sample by a brief light pulse and detecting the temperature evolution at its rear surface. The thermal diffusivity is obtained by measuring the time corresponding to the half maximum of the temperature rise, which only depends on the sample thickness and thermal diffusivity through a simple formula. Up to now, the flash method has been restricted to flat samples. In this work, we extend the flash method to measure the thermal diffusivity of nonflat samples. In particular, we focus on plates with cylindrical and spherical shapes. The theoretical model indicates that the same expression for flat samples can also be applied to cylindrical and spherical plates, except for extremely curved samples. Accordingly, a curvature limit for the application of the expression for flat samples is established. Flash measurements on lead foils of cylindrical shape confirm the validity of the model.

  9. Method of making gas diffusion layers for electrochemical cells

    DOEpatents

    Frisk, Joseph William; Boand, Wayne Meredith; Larson, James Michael

    2002-01-01

    A method is provided for making a gas diffusion layer for an electrochemical cell comprising the steps of: a) combining carbon particles and one or more surfactants in a typically aqueous vehicle to make a preliminary composition, typically by high shear mixing; b) adding one or more highly fluorinated polymers to said preliminary composition by low shear mixing to make a coating composition; and c) applying the coating composition to an electrically conductive porous substrate, typically by a low shear coating method.

  10. Instantaneous signal attenuation method for analysis of PFG fractional diffusions

    NASA Astrophysics Data System (ADS)

    Lin, Guoxing

    2016-08-01

    An instantaneous signal attenuation (ISA) method for analyzing pulsed field gradient (PFG) fractional diffusion (FD) has been developed, which is modified from the propagator approach developed in 2001 by Lin et al. for analyzing PFG normal diffusion. Both, the current ISA method and the propagator method have the same fundamental basis that the total signal attenuation (SA) is the accumulation of all the ISA, and the ISA is the average SA of the whole diffusion system at each moment. However, the manner of calculating ISA is different. Unlike the use of the instantaneous propagator in the propagator method, the current method directly calculates ISA as A(K(t‧), t‧ + dt‧)/A(K(t‧), t‧), where A(K(t‧), t‧ + dt‧) and A(K(t‧), t‧) are the SA. This modification makes the current method applicable to PFG FD as the instantaneous propagator may not be obtainable in FD. The ISA method was applied to study PFG SA including the effect of finite gradient pulse widths (FGPW) for free FD, restricted FD and the FD affected by a non-homogeneous gradient field. The SA expressions were successfully obtained for all three types of free FDs while other current methods still have difficulty in obtaining all of them. The results from this method agree with reported results such as that obtained by the effective phase shift diffusion equation (EPSDE) method. The M-Wright phase distribution approximation was also used to derive an SA expression for time FD as a comparison, which agrees with ISA method. Additionally, the continuous-time random walk (CTRW) simulation was performed to simulate the SA of PFG FD, and the simulation results agree with the analytical results. Particularly, the CTRW simulation results give good support to the analytical results including FGPW effect for free FD and restricted time FD based on a fractional derivative model where there have been no corresponding theoretical reports to date. The theoretical SA expressions including FGPW obtained

  11. Instantaneous signal attenuation method for analysis of PFG fractional diffusions.

    PubMed

    Lin, Guoxing

    2016-08-01

    An instantaneous signal attenuation (ISA) method for analyzing pulsed field gradient (PFG) fractional diffusion (FD) has been developed, which is modified from the propagator approach developed in 2001 by Lin et al. for analyzing PFG normal diffusion. Both, the current ISA method and the propagator method have the same fundamental basis that the total signal attenuation (SA) is the accumulation of all the ISA, and the ISA is the average SA of the whole diffusion system at each moment. However, the manner of calculating ISA is different. Unlike the use of the instantaneous propagator in the propagator method, the current method directly calculates ISA as A(K(t'),t'+dt')/A(K(t'),t'), where A(K(t'),t'+dt') and A(K(t'),t') are the SA. This modification makes the current method applicable to PFG FD as the instantaneous propagator may not be obtainable in FD. The ISA method was applied to study PFG SA including the effect of finite gradient pulse widths (FGPW) for free FD, restricted FD and the FD affected by a non-homogeneous gradient field. The SA expressions were successfully obtained for all three types of free FDs while other current methods still have difficulty in obtaining all of them. The results from this method agree with reported results such as that obtained by the effective phase shift diffusion equation (EPSDE) method. The M-Wright phase distribution approximation was also used to derive an SA expression for time FD as a comparison, which agrees with ISA method. Additionally, the continuous-time random walk (CTRW) simulation was performed to simulate the SA of PFG FD, and the simulation results agree with the analytical results. Particularly, the CTRW simulation results give good support to the analytical results including FGPW effect for free FD and restricted time FD based on a fractional derivative model where there have been no corresponding theoretical reports to date. The theoretical SA expressions including FGPW obtained here such as [Formula: see

  12. Some basic mathematical methods of diffusion theory. [emphasis on atmospheric applications

    NASA Technical Reports Server (NTRS)

    Giere, A. C.

    1977-01-01

    An introductory treatment of the fundamentals of diffusion theory is presented, starting with molecular diffusion and leading up to the statistical methods of turbulent diffusion. A multilayer diffusion model, designed to permit concentration and dosage calculations downwind of toxic clouds from rocket vehicles, is described. The concepts and equations of diffusion are developed on an elementary level, with emphasis on atmospheric applications.

  13. Support Operators Method for the Diffusion Equation in Multiple Materials

    SciTech Connect

    Winters, Andrew R.; Shashkov, Mikhail J.

    2012-08-14

    A second-order finite difference scheme for the solution of the diffusion equation on non-uniform meshes is implemented. The method allows the heat conductivity to be discontinuous. The algorithm is formulated on a one dimensional mesh and is derived using the support operators method. A key component of the derivation is that the discrete analog of the flux operator is constructed to be the negative adjoint of the discrete divergence, in an inner product that is a discrete analog of the continuum inner product. The resultant discrete operators in the fully discretized diffusion equation are symmetric and positive definite. The algorithm is generalized to operate on meshes with cells which have mixed material properties. A mechanism to recover intermediate temperature values in mixed cells using a limited linear reconstruction is introduced. The implementation of the algorithm is verified and the linear reconstruction mechanism is compared to previous results for obtaining new material temperatures.

  14. Fixed-node diffusion Monte Carlo method for lithium systems

    NASA Astrophysics Data System (ADS)

    Rasch, K. M.; Mitas, L.

    2015-07-01

    We study lithium systems over a range of a number of atoms, specifically atomic anion, dimer, metallic cluster, and body-centered-cubic crystal, using the fixed-node diffusion Monte Carlo method. The focus is on analysis of the fixed-node errors of each system, and for that purpose we test several orbital sets in order to provide the most accurate nodal hypersurfaces. The calculations include both core and valence electrons in order to avoid any possible impact by pseudopotentials. To quantify the fixed-node errors, we compare our results to other highly accurate calculations, and wherever available, to experimental observations. The results for these Li systems show that the fixed-node diffusion Monte Carlo method achieves accurate total energies, recovers 96 -99 % of the correlation energy, and estimates binding energies with errors bounded by 0.1 eV /at .

  15. Diffusely reflecting paints including polytetrafluoroethylene and method of manufacture

    NASA Technical Reports Server (NTRS)

    Schutt, J. B.; Shai, M. C. (Inventor)

    1985-01-01

    The invention pertains to a high diffuse, reflective paint comprising an alcohol soluble binder, polytetrafluoroethylene (TFE) and an alcohol for coating a substrate and forming an optical reference with a superior Lambertian characteristic. A method for making the paint by first mixing the biner and alcohol, and thereafter by mixing in outgassed TFE is described. A wetting agent may be employed to aid the mixing process.

  16. A radial basis function Galerkin method for inhomogeneous nonlocal diffusion

    DOE PAGES

    Lehoucq, Richard B.; Rowe, Stephen T.

    2016-02-01

    We introduce a discretization for a nonlocal diffusion problem using a localized basis of radial basis functions. The stiffness matrix entries are assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, sparse, symmetric positive definite stiffness matrix. We demonstrate that both the continuum and discrete problems are well-posed and present numerical results for the convergence behavior of the radial basis function method. As a result, we explore approximating the solution to anisotropic differential equations by solving anisotropic nonlocal integral equations using the radial basis function method.

  17. TIME-DOMAIN METHODS FOR DIFFUSIVE TRANSPORT IN SOFT MATTER

    PubMed Central

    Fricks, John; Yao, Lingxing; Elston, Timothy C.; Gregory Forest, And M.

    2015-01-01

    Passive microrheology [12] utilizes measurements of noisy, entropic fluctuations (i.e., diffusive properties) of micron-scale spheres in soft matter to infer bulk frequency-dependent loss and storage moduli. Here, we are concerned exclusively with diffusion of Brownian particles in viscoelastic media, for which the Mason-Weitz theoretical-experimental protocol is ideal, and the more challenging inference of bulk viscoelastic moduli is decoupled. The diffusive theory begins with a generalized Langevin equation (GLE) with a memory drag law specified by a kernel [7, 16, 22, 23]. We start with a discrete formulation of the GLE as an autoregressive stochastic process governing microbead paths measured by particle tracking. For the inverse problem (recovery of the memory kernel from experimental data) we apply time series analysis (maximum likelihood estimators via the Kalman filter) directly to bead position data, an alternative to formulas based on mean-squared displacement statistics in frequency space. For direct modeling, we present statistically exact GLE algorithms for individual particle paths as well as statistical correlations for displacement and velocity. Our time-domain methods rest upon a generalization of well-known results for a single-mode exponential kernel [1, 7, 22, 23] to an arbitrary M-mode exponential series, for which the GLE is transformed to a vector Ornstein-Uhlenbeck process. PMID:26412904

  18. A diffusive information preservation method for small Knudsen number flows

    SciTech Connect

    Fei, Fei; Fan, Jing

    2013-06-15

    The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker–Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ∼ 10{sup −3}–10{sup −4} have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

  19. A diffusive information preservation method for small Knudsen number flows

    NASA Astrophysics Data System (ADS)

    Fei, Fei; Fan, Jing

    2013-06-01

    The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

  20. Newton-Krylov methods applied to nonequilibrium radiation diffusion

    SciTech Connect

    Knoll, D.A.; Rider, W.J.; Olsen, G.L.

    1998-03-10

    The authors present results of applying a matrix-free Newton-Krylov method to a nonequilibrium radiation diffusion problem. Here, there is no use of operator splitting, and Newton`s method is used to convert the nonlinearities within a time step. Since the nonlinear residual is formed, it is used to monitor convergence. It is demonstrated that a simple Picard-based linearization produces a sufficient preconditioning matrix for the Krylov method, thus elevating the need to form or store a Jacobian matrix for Newton`s method. They discuss the possibility that the Newton-Krylov approach may allow larger time steps, without loss of accuracy, as compared to an operator split approach where nonlinearities are not converged within a time step.

  1. On matrix diffusion: formulations, solution methods and qualitative effects

    NASA Astrophysics Data System (ADS)

    Carrera, Jesús; Sánchez-Vila, Xavier; Benet, Inmaculada; Medina, Agustín; Galarza, Germán; Guimerà, Jordi

    Matrix diffusion has become widely recognized as an important transport mechanism. Unfortunately, accounting for matrix diffusion complicates solute-transport simulations. This problem has led to simplified formulations, partly motivated by the solution method. As a result, some confusion has been generated about how to properly pose the problem. One of the objectives of this work is to find some unity among existing formulations and solution methods. In doing so, some asymptotic properties of matrix diffusion are derived. Specifically, early-time behavior (short tests) depends only on φm2RmDm / Lm2, whereas late-time behavior (long tracer tests) depends only on φmRm, and not on matrix diffusion coefficient or block size and shape. The latter is always true for mean arrival time. These properties help in: (a) analyzing the qualitative behavior of matrix diffusion; (b) explaining one paradox of solute transport through fractured rocks (the apparent dependence of porosity on travel time); (c) discriminating between matrix diffusion and other problems (such as kinetic sorption or heterogeneity); and (d) describing identifiability problems and ways to overcome them. RésuméLa diffusion matricielle est un phénomène reconnu maintenant comme un mécanisme de transport important. Malheureusement, la prise en compte de la diffusion matricielle complique la simulation du transport de soluté. Ce problème a conduit à des formulations simplifiées, en partie à cause de la méthode de résolution. Il s'en est suivi une certaine confusion sur la façon de poser correctement le problème. L'un des objectifs de ce travail est de trouver une certaine unité parmi les formulations et les méthodes de résolution. C'est ainsi que certaines propriétés asymptotiques de la diffusion matricielle ont été dérivées. En particulier, le comportement à l'origine (expériences de traçage courtes) dépend uniquement du terme φm2RmDm / Lm2, alors que le comportement à long terme

  2. Diffuse optical methods for assessing breast cancer chemotherapy

    NASA Astrophysics Data System (ADS)

    Tromberg, Bruce J.

    2014-03-01

    In his talk, "Diffuse Optical Methods for Assessing Breast Cancer Chemotherapy," SPIE Fellow Bruce Tromberg (Beckman Laser Institute and Medical Clinic) describes a method combining frequency domain photon migration, essentially a method of tracking photon motion in tissue, with a NIR spectroscopy technique using 850nm LEDs. The result is a scatter corrected absorption spectra. The technique takes advantage of elevated blood and water levels and decreased lipid levels in the presence of tumors to provide a more accurate mapping of the breast, allowing more effective treatment. Tromberg's team recently completed their first full mapping of the breast and have taken the instrument from a standalone unit to a portable one suitable for travel. In addition to providing feedback to enhance breast cancer treatment, Tromberg expects that this technique will be applicable in treating other forms of cancer as well.

  3. Transition from distributional to ergodic behavior in an inhomogeneous diffusion process: Method revealing an unknown surface diffusivity.

    PubMed

    Akimoto, Takuma; Seki, Kazuhiko

    2015-08-01

    Diffusion of molecules in cells plays an important role in providing a biological reaction on the surface by finding a target on the membrane surface. The water retardation (slow diffusion) near the target assists the searching molecules to recognize the target. Here, we consider effects of the surface diffusivity on the effective diffusivity, where diffusion on the surface is slower than that in bulk. We show that the ensemble-averaged mean-square displacements increase linearly with time when the desorption rate from the surface is finite, which is valid even when the diffusion on the surface is anomalous (subdiffusion). Moreover, this slow diffusion on the surface affects the fluctuations of the time-averaged mean-square displacements (TAMSDs). We find that fluctuations of the TAMSDs remain large when the measurement time is smaller than a characteristic time, and decays according to an increase of the measurement time for a relatively large measurement time. Therefore, we find a transition from nonergodic (distributional) to ergodic diffusivity in a target search process. Moreover, this fluctuation analysis provides a method to estimate an unknown surface diffusivity.

  4. Extrapolation techniques applied to matrix methods in neutron diffusion problems

    NASA Technical Reports Server (NTRS)

    Mccready, Robert R

    1956-01-01

    A general matrix method is developed for the solution of characteristic-value problems of the type arising in many physical applications. The scheme employed is essentially that of Gauss and Seidel with appropriate modifications needed to make it applicable to characteristic-value problems. An iterative procedure produces a sequence of estimates to the answer; and extrapolation techniques, based upon previous behavior of iterants, are utilized in speeding convergence. Theoretically sound limits are placed on the magnitude of the extrapolation that may be tolerated. This matrix method is applied to the problem of finding criticality and neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron-diffusion equations is treated. Results for this example are indicated.

  5. [Optimization of gel radial diffusion method for serum immunoglobulin analysis].

    PubMed

    Gerasimov, I G; Zorkova, E V

    2002-07-01

    Serum IgA, IgM, and IgG were measured by radial immunodiffusion in gel; immunoglobulin concentrations correlated with the diameter of their diffusion. A theoretically-based equation was derived; use of this equation will help estimate serum Ig content without plotting a calibration curve by the square diameter of the immunodiffusion ring of undiluted reference serum in a wide range of concentrations (0.3-3 mg/ml for IgA and IgM and 2-18 mg/ml for IgG). This modification of measuring serum immunoglobulins by radial immunodiffusion in gel is as accurate as other methods, but is reagent- and time-saving.

  6. A Critical Study of Agglomerated Multigrid Methods for Diffusion

    NASA Technical Reports Server (NTRS)

    Nishikawa, Hiroaki; Diskin, Boris; Thomas, James L.

    2011-01-01

    Agglomerated multigrid techniques used in unstructured-grid methods are studied critically for a model problem representative of laminar diffusion in the incompressible limit. The studied target-grid discretizations and discretizations used on agglomerated grids are typical of current node-centered formulations. Agglomerated multigrid convergence rates are presented using a range of two- and three-dimensional randomly perturbed unstructured grids for simple geometries with isotropic and stretched grids. Two agglomeration techniques are used within an overall topology-preserving agglomeration framework. The results show that multigrid with an inconsistent coarse-grid scheme using only the edge terms (also referred to in the literature as a thin-layer formulation) provides considerable speedup over single-grid methods but its convergence deteriorates on finer grids. Multigrid with a Galerkin coarse-grid discretization using piecewise-constant prolongation and a heuristic correction factor is slower and also grid-dependent. In contrast, grid-independent convergence rates are demonstrated for multigrid with consistent coarse-grid discretizations. Convergence rates of multigrid cycles are verified with quantitative analysis methods in which parts of the two-grid cycle are replaced by their idealized counterparts.

  7. A Critical Study of Agglomerated Multigrid Methods for Diffusion

    NASA Technical Reports Server (NTRS)

    Thomas, James L.; Nishikawa, Hiroaki; Diskin, Boris

    2009-01-01

    Agglomerated multigrid techniques used in unstructured-grid methods are studied critically for a model problem representative of laminar diffusion in the incompressible limit. The studied target-grid discretizations and discretizations used on agglomerated grids are typical of current node-centered formulations. Agglomerated multigrid convergence rates are presented using a range of two- and three-dimensional randomly perturbed unstructured grids for simple geometries with isotropic and highly stretched grids. Two agglomeration techniques are used within an overall topology-preserving agglomeration framework. The results show that multigrid with an inconsistent coarse-grid scheme using only the edge terms (also referred to in the literature as a thin-layer formulation) provides considerable speedup over single-grid methods but its convergence deteriorates on finer grids. Multigrid with a Galerkin coarse-grid discretization using piecewise-constant prolongation and a heuristic correction factor is slower and also grid-dependent. In contrast, grid-independent convergence rates are demonstrated for multigrid with consistent coarse-grid discretizations. Actual cycle results are verified using quantitative analysis methods in which parts of the cycle are replaced by their idealized counterparts.

  8. Method for applying a diffusion barrier interlayer for high temperature components

    DOEpatents

    Wei, Ronghua; Cheruvu, Narayana S.

    2016-03-08

    A coated substrate and a method of forming a diffusion barrier coating system between a substrate and a MCrAl coating, including a diffusion barrier coating deposited onto at least a portion of a substrate surface, wherein the diffusion barrier coating comprises a nitride, oxide or carbide of one or more transition metals and/or metalloids and a MCrAl coating, wherein M includes a transition metal or a metalloid, deposited on at least a portion of the diffusion barrier coating, wherein the diffusion barrier coating restricts the inward diffusion of aluminum of the MCrAl coating into the substrate.

  9. A mapping method for distributive mixing with diffusion: Interplay between chaos and diffusion in time-periodic sine flow

    NASA Astrophysics Data System (ADS)

    Schlick, Conor P.; Christov, Ivan C.; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

    2013-05-01

    We present an accurate and efficient computational method for solving the advection-diffusion equation in time-periodic chaotic flows. The method uses operator splitting, which allows the advection and diffusion steps to be treated independently. Taking advantage of flow periodicity, the advection step is solved using a mapping method, and diffusion is "added" discretely after each iteration of the advection map. This approach results in the construction of a composite mapping matrix over an entire period of the chaotic advection-diffusion process and provides a natural framework for the analysis of mixing. To test the approach, we consider two-dimensional time-periodic sine flow. By comparing the numerical solutions obtained by our method to reference solutions, we find qualitative agreement for large time steps (structure of concentration profile) and quantitative agreement for small time steps (low error). Further, we study the interplay between mixing through chaotic advection and mixing through diffusion leading to an analytical model for the evolution of the intensity of segregation with time. Additionally, we demonstrate that our operator splitting mapping approach can be readily extended to three dimensions.

  10. Anisotropic phantom to calibrate high-q diffusion MRI methods

    NASA Astrophysics Data System (ADS)

    Komlosh, M. E.; Benjamini, D.; Barnett, A. S.; Schram, V.; Horkay, F.; Avram, A. V.; Basser, P. J.

    2017-02-01

    A silicon oil-filled glass capillary array is proposed as an anisotropic diffusion MRI phantom. Together with a computational/theoretical pipeline these provide a gold standard for calibrating and validating high-q diffusion MRI experiments. The phantom was used to test high angular resolution diffusion imaging (HARDI) and double pulsed-field gradient (d-PFG) MRI acquisition schemes. MRI-based predictions of microcapillary diameter using both acquisition schemes were compared with results from optical microscopy. This phantom design can be used for quality control and quality assurance purposes and for testing and validating proposed microstructure imaging experiments and the processing pipelines used to analyze them.

  11. Mucoadhesive microspheres prepared by interpolymer complexation and solvent diffusion method.

    PubMed

    Chun, Myung-Kwan; Cho, Chong-Su; Choi, Hoo-Kyun

    2005-01-20

    Mucoadhesive microspheres were prepared to increase gastric residence time using an interpolymer complexation of poly(acrylic acid) (PAA) with poly(vinyl pyrrolidone) (PVP) and a solvent diffusion method. The complexation between poly(acrylic acid) and poly(vinyl pyrrolidone) as a result of hydrogen bonding was confirmed by the shift in the carbonyl absorption bands of poly(acrylic acid) using FT-IR. A mixture of ethanol/water was used as the internal phase, corn oil was used as the external phase of emulsion, and span 80 was used as the surfactant. Spherical microspheres were prepared and the inside of the microspheres was completely filled. The optimum solvent ratio of the internal phase (ethanol/water) was 8/2 and 7/3, and the particle size increased as the content of water was increased. The mean particle size increased with the increase in polymer concentration. The adhesive force of microspheres was equivalent to that of Carbopol. The release rate of acetaminophen from the complex microspheres was slower than the PVP microspheres at pH 2.0 and 6.8.

  12. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    SciTech Connect

    Lessing, Paul A.

    2004-09-07

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  13. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    SciTech Connect

    Lessing, Paul A.

    2008-07-22

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  14. A Radial Basis Function (RBF)-Finite Difference (FD) Method for Diffusion and Reaction-Diffusion Equations on Surfaces.

    PubMed

    Shankar, Varun; Wright, Grady B; Kirby, Robert M; Fogelson, Aaron L

    2016-06-01

    In this paper, we present a method based on Radial Basis Function (RBF)-generated Finite Differences (FD) for numerically solving diffusion and reaction-diffusion equations (PDEs) on closed surfaces embedded in ℝ (d) . Our method uses a method-of-lines formulation, in which surface derivatives that appear in the PDEs are approximated locally using RBF interpolation. The method requires only scattered nodes representing the surface and normal vectors at those scattered nodes. All computations use only extrinsic coordinates, thereby avoiding coordinate distortions and singularities. We also present an optimization procedure that allows for the stabilization of the discrete differential operators generated by our RBF-FD method by selecting shape parameters for each stencil that correspond to a global target condition number. We show the convergence of our method on two surfaces for different stencil sizes, and present applications to nonlinear PDEs simulated both on implicit/parametric surfaces and more general surfaces represented by point clouds.

  15. An Integration Factor Method for Stochastic and Stiff Reaction-Diffusion Systems.

    PubMed

    Ta, Catherine; Wang, Dongyong; Nie, Qing

    2015-08-15

    Stochastic effects are often present in the biochemical systems involving reactions and diffusions. When the reactions are stiff, existing numerical methods for stochastic reaction diffusion equations require either very small time steps for any explicit schemes or solving large nonlinear systems at each time step for the implicit schemes. Here we present a class of semi-implicit integration factor methods that treat the diffusion term exactly and reaction implicitly for a system of stochastic reaction-diffusion equations. Our linear stability analysis shows the advantage of such methods for both small and large amplitudes of noise. Direct use of the method to solving several linear and nonlinear stochastic reaction-diffusion equations demonstrates good accuracy, efficiency, and stability properties. This new class of methods, which are easy to implement, will have broader applications in solving stochastic reaction-diffusion equations arising from models in biology and physical sciences.

  16. An integration factor method for stochastic and stiff reaction–diffusion systems

    SciTech Connect

    Ta, Catherine; Wang, Dongyong; Nie, Qing

    2015-08-15

    Stochastic effects are often present in the biochemical systems involving reactions and diffusions. When the reactions are stiff, existing numerical methods for stochastic reaction diffusion equations require either very small time steps for any explicit schemes or solving large nonlinear systems at each time step for the implicit schemes. Here we present a class of semi-implicit integration factor methods that treat the diffusion term exactly and reaction implicitly for a system of stochastic reaction–diffusion equations. Our linear stability analysis shows the advantage of such methods for both small and large amplitudes of noise. Direct use of the method to solving several linear and nonlinear stochastic reaction–diffusion equations demonstrates good accuracy, efficiency, and stability properties. This new class of methods, which are easy to implement, will have broader applications in solving stochastic reaction–diffusion equations arising from models in biology and physical sciences.

  17. A Multiresolution Method for Parameter Estimation of Diffusion Processes.

    PubMed

    Kou, S C; Olding, Benjamin P; Lysy, Martin; Liu, Jun S

    2012-12-01

    Diffusion process models are widely used in science, engineering and finance. Most diffusion processes are described by stochastic differential equations in continuous time. In practice, however, data is typically only observed at discrete time points. Except for a few very special cases, no analytic form exists for the likelihood of such discretely observed data. For this reason, parametric inference is often achieved by using discrete-time approximations, with accuracy controlled through the introduction of missing data. We present a new multiresolution Bayesian framework to address the inference difficulty. The methodology relies on the use of multiple approximations and extrapolation, and is significantly faster and more accurate than known strategies based on Gibbs sampling. We apply the multiresolution approach to three data-driven inference problems - one in biophysics and two in finance - one of which features a multivariate diffusion model with an entirely unobserved component.

  18. A Multiresolution Method for Parameter Estimation of Diffusion Processes

    PubMed Central

    Kou, S. C.; Olding, Benjamin P.; Lysy, Martin; Liu, Jun S.

    2014-01-01

    Diffusion process models are widely used in science, engineering and finance. Most diffusion processes are described by stochastic differential equations in continuous time. In practice, however, data is typically only observed at discrete time points. Except for a few very special cases, no analytic form exists for the likelihood of such discretely observed data. For this reason, parametric inference is often achieved by using discrete-time approximations, with accuracy controlled through the introduction of missing data. We present a new multiresolution Bayesian framework to address the inference difficulty. The methodology relies on the use of multiple approximations and extrapolation, and is significantly faster and more accurate than known strategies based on Gibbs sampling. We apply the multiresolution approach to three data-driven inference problems – one in biophysics and two in finance – one of which features a multivariate diffusion model with an entirely unobserved component. PMID:25328259

  19. A hybrid continuous-discrete method for stochastic reaction–diffusion processes

    PubMed Central

    Zheng, Likun; Nie, Qing

    2016-01-01

    Stochastic fluctuations in reaction–diffusion processes often have substantial effect on spatial and temporal dynamics of signal transductions in complex biological systems. One popular approach for simulating these processes is to divide the system into small spatial compartments assuming that molecules react only within the same compartment and jump between adjacent compartments driven by the diffusion. While the approach is convenient in terms of its implementation, its computational cost may become prohibitive when diffusive jumps occur significantly more frequently than reactions, as in the case of rapid diffusion. Here, we present a hybrid continuous-discrete method in which diffusion is simulated using continuous approximation while reactions are based on the Gillespie algorithm. Specifically, the diffusive jumps are approximated as continuous Gaussian random vectors with time-dependent means and covariances, allowing use of a large time step, even for rapid diffusion. By considering the correlation among diffusive jumps, the approximation is accurate for the second moment of the diffusion process. In addition, a criterion is obtained for identifying the region in which such diffusion approximation is required to enable adaptive calculations for better accuracy. Applications to a linear diffusion system and two nonlinear systems of morphogens demonstrate the effectiveness and benefits of the new hybrid method. PMID:27703710

  20. Atomic diffusion theory challenging the Cahn-Hilliard method

    NASA Astrophysics Data System (ADS)

    Nastar, M.

    2014-10-01

    Our development of the self-consistent mean-field (SCMF) kinetic theory for nonuniform alloys leads to the statement that kinetic correlations induced by the vacancy diffusion mechanism have a dramatic effect on nanoscale diffusion phenomena, leading to nonlinear features of the interdiffusion coefficients. Lattice rate equations of alloys including nonuniform gradients of chemical potential are derived within the Bragg-Williams statistical approximation and the third shell kinetic approximation of the SCMF theory. General driving forces including deviations of the free energy from a local equilibrium thermodynamic formulation are introduced. These deviations are related to the variation of vacancy motion due to the spatial variation of the alloy composition. During the characteristic time of atomic diffusion, multiple exchanges of the vacancy with the same atoms may happen, inducing atomic kinetic correlations that depend as well on the spatial variation of the alloy composition. As long as the diffusion driving forces are uniform, the rate equations are shown to obey in this form the Onsager formalism of thermodynamics of irreversible processes (TIP) and the TIP-based Cahn-Hilliard diffusion equation. If now the chemical potential gradients are not uniform, the continuous limit of the present SCMF kinetic equations does not coincide with the Cahn-Hilliard (CH) equation. In particular, the composition gradient and higher derivative terms depending on kinetic parameters add to the CH thermodynamic-based composition gradient term. Indeed, a diffusion equation written as a mobility multiplied by a thermodynamic formulation of the driving forces is shown to be inadequate. In the reciprocal space, the thermodynamic driving force has to be multiplied by a nonlinear function of the wave vector accounting for the variation of kinetic correlations with composition inhomogeneities. Analytical expressions of the effective interdiffusion coefficient are given for two limit

  1. Diffusion NMR methods applied to xenon gas for materials study

    NASA Technical Reports Server (NTRS)

    Mair, R. W.; Rosen, M. S.; Wang, R.; Cory, D. G.; Walsworth, R. L.

    2002-01-01

    We report initial NMR studies of (i) xenon gas diffusion in model heterogeneous porous media and (ii) continuous flow laser-polarized xenon gas. Both areas utilize the pulsed gradient spin-echo (PGSE) techniques in the gas phase, with the aim of obtaining more sophisticated information than just translational self-diffusion coefficients--a brief overview of this area is provided in the Introduction. The heterogeneous or multiple-length scale model porous media consisted of random packs of mixed glass beads of two different sizes. We focus on observing the approach of the time-dependent gas diffusion coefficient, D(t) (an indicator of mean squared displacement), to the long-time asymptote, with the aim of understanding the long-length scale structural information that may be derived from a heterogeneous porous system. We find that D(t) of imbibed xenon gas at short diffusion times is similar for the mixed bead pack and a pack of the smaller sized beads alone, hence reflecting the pore surface area to volume ratio of the smaller bead sample. The approach of D(t) to the long-time limit follows that of a pack of the larger sized beads alone, although the limiting D(t) for the mixed bead pack is lower, reflecting the lower porosity of the sample compared to that of a pack of mono-sized glass beads. The Pade approximation is used to interpolate D(t) data between the short- and long-time limits. Initial studies of continuous flow laser-polarized xenon gas demonstrate velocity-sensitive imaging of much higher flows than can generally be obtained with liquids (20-200 mm s-1). Gas velocity imaging is, however, found to be limited to a resolution of about 1 mm s-1 owing to the high diffusivity of gases compared with liquids. We also present the first gas-phase NMR scattering, or diffusive-diffraction, data, namely flow-enhanced structural features in the echo attenuation data from laser-polarized xenon flowing through a 2 mm glass bead pack. c2002 John Wiley & Sons, Ltd.

  2. Determining Diffuser Augmented Wind Turbine performance using a combined CFD/BEM method

    NASA Astrophysics Data System (ADS)

    Kesby, JE; Bradney, D. R.; Clausen, PD

    2016-09-01

    The optimisation of a Diffuser Augmented Wind Turbine has traditionally focused on maximising its power output. Optimising the design of the blade and the shape of the diffuser for maximum turbine power over a range of wind velocities is a complex process, as each will influence the others flow regime. In this paper we propose a method that combines the predictions of flow through a diffuser, using computational fluid dynamics, and the flow from a turbine blade using a modified blade element theory to predict the power output of a diffuser augmented wind turbine. Good agreement was found between the predictions from this new method and experimental data from the literature.

  3. Reproducibility of the Structural Connectome Reconstruction across Diffusion Methods.

    PubMed

    Prčkovska, Vesna; Rodrigues, Paulo; Puigdellivol Sanchez, Ana; Ramos, Marc; Andorra, Magi; Martinez-Heras, Eloy; Falcon, Carles; Prats-Galino, Albert; Villoslada, Pablo

    2016-01-01

    Analysis of the structural connectomes can lead to powerful insights about the brain's organization and damage. However, the accuracy and reproducibility of constructing the structural connectome done with different acquisition and reconstruction techniques is not well defined. In this work, we evaluated the reproducibility of the structural connectome techniques by performing test-retest (same day) and longitudinal studies (after 1 month) as well as analyzing graph-based measures on the data acquired from 22 healthy volunteers (6 subjects were used for the longitudinal study). We compared connectivity matrices and tract reconstructions obtained with the most typical acquisition schemes used in clinical application: diffusion tensor imaging (DTI), high angular resolution diffusion imaging (HARDI), and diffusion spectrum imaging (DSI). We observed that all techniques showed high reproducibility in the test-retest analysis (correlation >.9). However, HARDI was the only technique with low variability (2%) in the longitudinal assessment (1-month interval). The intraclass coefficient analysis showed the highest reproducibility for the DTI connectome, however, with more sparse connections than HARDI and DSI. Qualitative (neuroanatomical) assessment of selected tracts confirmed the quantitative results showing that HARDI managed to detect most of the analyzed fiber groups and fanning fibers. In conclusion, we found that HARDI acquisition showed the most balanced trade-off between high reproducibility of the connectome, higher rate of path detection and of fanning fibers, and intermediate acquisition times (10-15 minutes), although at the cost of higher appearance of aberrant fibers.

  4. A New Discontinuous Galerkin Method for Convection-Diffusion Problems: The Gradient-Recovery DG Method

    NASA Astrophysics Data System (ADS)

    Johnson, Philip; Johnsen, Eric

    2016-11-01

    The Discontinuous Galerkin (DG) numerical method, while well-suited for hyperbolic PDE systems such as the Euler equations, is not naturally competitive for convection-diffusion systems, such as the Navier-Stokes equations. Where the DG weak form of the Euler equations depends only on the field variables for calculation of numerical fluxes, the traditional form of the Navier-Stokes equations requires calculation of the gradients of field variables for flux calculations. It is this latter task for which the standard DG discretization is ill-suited, and several approaches have been proposed to treat the issue. The most popular strategy for handling diffusion is the "mixed" approach, where the solution gradient is constructed from the primal as an auxiliary. We designed a new mixed approach, called Gradient-Recovery DG; it uses the Recovery concept of Van Leer & Nomura with the mixed approach to produce a scheme with excellent stability, high accuracy, and unambiguous implementation when compared to typical mixed approach concepts. In addition to describing the scheme, we will perform analysis with comparison to other DG approaches for diffusion. Gas dynamics examples will be presented to demonstrate the scheme's capabilities.

  5. Method of independently operating a group of stages within a diffusion cascade

    DOEpatents

    Benedict, Manson; Fruit, Allen J.; Levey, Horace B.

    1976-06-08

    1. A method of operating a group of the diffusion stages of a productive diffusion cascade with countercurrent flow, said group comprising a top and a bottom stage, which comprises isolating said group from said cascade, circulating the diffused gas produced in said top stage to the feed of said bottom stage while at the same time circulating the undiffused gas from said bottom stage to the feed of said top stage whereby major changes in

  6. Kernel weights optimization for error diffusion halftoning method

    NASA Astrophysics Data System (ADS)

    Fedoseev, Victor

    2015-02-01

    This paper describes a study to find the best error diffusion kernel for digital halftoning under various restrictions on the number of non-zero kernel coefficients and their set of values. As an objective measure of quality, WSNR was used. The problem of multidimensional optimization was solved numerically using several well-known algorithms: Nelder- Mead, BFGS, and others. The study found a kernel function that provides a quality gain of about 5% in comparison with the best of the commonly used kernel introduced by Floyd and Steinberg. Other kernels obtained allow to significantly reduce the computational complexity of the halftoning process without reducing its quality.

  7. DETERMINING DRUG SENSITIVITY—Use of the Gel Diffusion Method

    PubMed Central

    Chambers, Van Vleck

    1960-01-01

    A study was carried out to determine whether the double diffusion gel test when applied to the serum of patients with clear-cut penicillin reactions of various types, might be useful for demonstrating the presence of precipitating antibody. Results did not demonstrate the antibody. The difference in results with this test obtained by various workers was not explained by the observations in this study. Other approaches to determination of the mechanism of the penicillin reaction are discussed, and it is noted that the hemagglutination test, newly applied to the penicillin reaction problem, may be useful after further investigation. PMID:13692231

  8. A Review of Diffusion Tensor Magnetic Resonance Imaging Computational Methods and Software Tools

    PubMed Central

    Hasan, Khader M.; Walimuni, Indika S.; Abid, Humaira; Hahn, Klaus R.

    2010-01-01

    In this work we provide an up-to-date short review of computational magnetic resonance imaging (MRI) and software tools that are widely used to process and analyze diffusion-weighted MRI data. A review of different methods used to acquire, model and analyze diffusion-weighted imaging data (DWI) is first provided with focus on diffusion tensor imaging (DTI). The major preprocessing, processing and post-processing procedures applied to DTI data are discussed. A list of freely available software packages to analyze diffusion MRI data is also provided. PMID:21087766

  9. A flexible nonlinear diffusion acceleration method for the SN transport equations discretized with discontinuous finite elements

    NASA Astrophysics Data System (ADS)

    Schunert, Sebastian; Wang, Yaqi; Gleicher, Frederick; Ortensi, Javier; Baker, Benjamin; Laboure, Vincent; Wang, Congjian; DeHart, Mark; Martineau, Richard

    2017-06-01

    This work presents a flexible nonlinear diffusion acceleration (NDA) method that discretizes both the SN transport equation and the diffusion equation using the discontinuous finite element method (DFEM). The method is flexible in that the diffusion equation can be discretized on a coarser mesh with the only restriction that it is nested within the transport mesh and the FEM shape function orders of the two equations can be different. The consistency of the transport and diffusion solutions at convergence is defined by using a projection operator mapping the transport into the diffusion FEM space. The diffusion weak form is based on the modified incomplete interior penalty (MIP) diffusion DFEM discretization that is extended by volumetric drift, interior face, and boundary closure terms. In contrast to commonly used coarse mesh finite difference (CMFD) methods, the presented NDA method uses a full FEM discretized diffusion equation for acceleration. Suitable projection and prolongation operators arise naturally from the FEM framework. Via Fourier analysis and numerical experiments for a one-group, fixed source problem the following properties of the NDA method are established for structured quadrilateral meshes: (1) the presented method is unconditionally stable and effective in the presence of mild material heterogeneities if the same mesh and identical shape functions either of the bilinear or biquadratic type are used, (2) the NDA method remains unconditionally stable in the presence of strong heterogeneities, (3) the NDA method with bilinear elements extends the range of effectiveness and stability by a factor of two when compared to CMFD if a coarser diffusion mesh is selected. In addition, the method is tested for solving the C5G7 multigroup, eigenvalue problem using coarse and fine mesh acceleration. While NDA does not offer an advantage over CMFD for fine mesh acceleration, it reduces the iteration count required for convergence by almost a factor of two in

  10. A multigrid Newton-Krylov method for flux-limited radiation diffusion

    SciTech Connect

    Rider, W.J.; Knoll, D.A.; Olson, G.L.

    1998-09-01

    The authors focus on the integration of radiation diffusion including flux-limited diffusion coefficients. The nonlinear integration is accomplished with a Newton-Krylov method preconditioned with a multigrid Picard linearization of the governing equations. They investigate the efficiency of the linear and nonlinear iterative techniques.

  11. Interferometric measurement of a diffusion coefficient: comparison of two methods and uncertainty analysis

    NASA Astrophysics Data System (ADS)

    Riquelme, Rodrigo; Lira, Ignacio; Pérez-López, Carlos; Rayas, Juan A.; Rodríguez-Vera, Ramón

    2007-05-01

    Two methods to measure the diffusion coefficient of a species in a liquid by optical interferometry were compared. The methods were tested on a 1.75 M NaCl aqueous solution diffusing into water at 26 °C. Results were D = 1.587 × 10-9 m2 s-1 with the first method and D = 1.602 × 10-9 m2 s-1 with the second method. Monte Carlo simulation was used to assess the possible dispersion of these results. The standard uncertainties were found to be of the order of 0.05 × 10-9 m2 s-1 with both methods. We found that the value of the diffusion coefficient obtained by either method is very sensitive to the magnification of the optical system, and that if diffusion is slow the measurement of time does not need to be very accurate.

  12. Investigation of diffusion length distribution on polycrystalline silicon wafers via photoluminescence methods.

    PubMed

    Lou, Shishu; Zhu, Huishi; Hu, Shaoxu; Zhao, Chunhua; Han, Peide

    2015-09-14

    Characterization of the diffusion length of solar cells in space has been widely studied using various methods, but few studies have focused on a fast, simple way to obtain the quantified diffusion length distribution on a silicon wafer. In this work, we present two different facile methods of doing this by fitting photoluminescence images taken in two different wavelength ranges or from different sides. These methods, which are based on measuring the ratio of two photoluminescence images, yield absolute values of the diffusion length and are less sensitive to the inhomogeneity of the incident laser beam. A theoretical simulation and experimental demonstration of this method are presented. The diffusion length distributions on a polycrystalline silicon wafer obtained by the two methods show good agreement.

  13. A comparison between protein crystals grown with vapor diffusion methods in microgravity and protein crystals using a gel liquid-liquid diffusion ground-based method

    NASA Technical Reports Server (NTRS)

    Miller, Teresa Y.; He, Xiao-Min; Carter, Daniel C.

    1992-01-01

    Crystals of human serum albumin have been successfully grown in a variety of gels using crystallization conditions otherwise equivalent to those utilized in the popular hanging-drop vapor-equilibrium method. Preliminary comparisons of gel grown crystals with crystals grown by the vapor diffusion method via both ground-based and microgravity methods indicate that crystals superior in size and quality may be grown by limiting solutal convection. Preliminary X-ray diffraction statistics are presented.

  14. A method for optimizing the cosine response of solar UV diffusers

    NASA Astrophysics Data System (ADS)

    Pulli, Tomi; Kärhä, Petri; Ikonen, Erkki

    2013-07-01

    Instruments measuring global solar ultraviolet (UV) irradiance at the surface of the Earth need to collect radiation from the entire hemisphere. Entrance optics with angular response as close as possible to the ideal cosine response are necessary to perform these measurements accurately. Typically, the cosine response is obtained using a transmitting diffuser. We have developed an efficient method based on a Monte Carlo algorithm to simulate radiation transport in the solar UV diffuser assembly. The algorithm takes into account propagation, absorption, and scattering of the radiation inside the diffuser material. The effects of the inner sidewalls of the diffuser housing, the shadow ring, and the protective weather dome are also accounted for. The software implementation of the algorithm is highly optimized: a simulation of 109 photons takes approximately 10 to 15 min to complete on a typical high-end PC. The results of the simulations agree well with the measured angular responses, indicating that the algorithm can be used to guide the diffuser design process. Cost savings can be obtained when simulations are carried out before diffuser fabrication as compared to a purely trial-and-error-based diffuser optimization. The algorithm was used to optimize two types of detectors, one with a planar diffuser and the other with a spherically shaped diffuser. The integrated cosine errors—which indicate the relative measurement error caused by the nonideal angular response under isotropic sky radiance—of these two detectors were calculated to be f2=1.4% and 0.66%, respectively.

  15. A Local Incident Flux Response Expansion Transport Method for Coupling to the Diffusion Method in Cylindrical Geometry

    SciTech Connect

    Dingkang Zhang; Farzad Rahnema; Abderrafi M. Ougouag

    2013-09-01

    A local incident flux response expansion transport method is developed to generate transport solutions for coupling to diffusion theory codes regardless of their solution method (e.g., fine mesh, nodal, response based, finite element, etc.) for reactor core calculations in both two-dimensional (2-D) and three-dimensional (3-D) cylindrical geometries. In this approach, a Monte Carlo method is first used to precompute the local transport solution (i.e., response function library) for each unique transport coarse node, in which diffusion theory is not valid due to strong transport effects. The response function library is then used to iteratively determine the albedo coefficients on the diffusion-transport interfaces, which are then used as the coupling parameters within the diffusion code. This interface coupling technique allows a seamless integration of the transport and diffusion methods. The new method retains the detailed heterogeneity of the transport nodes and naturally constructs any local solution within them by a simple superposition of local responses to all incoming fluxes from the contiguous coarse nodes. A new technique is also developed for coupling to fine-mesh diffusion methods/codes. The local transport method/module is tested in 2-D and 3-D pebble-bed reactor benchmark problems consisting of an inner reflector, an annular fuel region, and a controlled outer reflector. It is found that the results predicted by the transport module agree very well with the reference fluxes calculated directly by MCNP in both benchmark problems.

  16. Method for measurement of diffusivity: Calorimetric studies of Fe/Ni multilayer thin films

    SciTech Connect

    Liu, JX; Barmak, K

    2015-07-15

    A calorimetric method for the measurement of diffusivity in thin film multilayers is introduced and applied to the Fe Ni system. Using this method, the diffusivity in [Fe (25 nm)/Ni (25 nm)](20) multilayer thin films is measured as 4 x 10(-3)exp(-1.6 +/- 0.1 eV/ k(B)T) cm(2)/s, respectively. The diffusion mechanism in the multilayers and its relevance to laboratory synthesis of L1(0) ordered FeNi are discussed. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  17. Antimicrobial potentials of Mentha longifolia by disc diffusion method.

    PubMed

    Bakht, Jehan; Shaheen, Salma; Shafi, Mohammad

    2014-07-01

    This study was conducted for the assessment of the antimicrobial activities of different solvents extracted samples from the aerial parts of Mentha longifolia against ten microbial species through the disc diffusion assay using two different concentrations of 1 and 2 mg disc1. All extracts from Mentha longifolia showed different ranges of antimicrobial activities. Butanol and ethyl acetate fractions showed inhibitory activities against all microbial species. Methanol fraction showed inhibitory effects against all the tested microbial species except Salmonella typhi. Salmonella typhi was also not controlled by methanol, petroleum ether and dichloromethane extracted samples. The most susceptible gram positive bacteria was Bacillus atropheus and Bacillus subtilis and were inhibited by all extracts and Staphylococus aureus was least susceptible among gram positive bacteria. Klebsiella pneumoniae was the most susceptible gram negative bacterium and Salmonella typhi was highly resistant among the gram negative bacteria. Erwinia carotovora and Agrobacterium tumefaciene were susceptible to all fractions. All fractions showed antifungal activities against Candida albicans except water extracted samples.

  18. Accurate determination of specific heat at high temperatures using the flash diffusivity method

    NASA Technical Reports Server (NTRS)

    Vandersande, J. W.; Zoltan, A.; Wood, C.

    1989-01-01

    The flash diffusivity method of Parker et al. (1961) was used to measure accurately the specific heat of test samples simultaneously with thermal diffusivity, thus obtaining the thermal conductivity of these materials directly. The accuracy of data obtained on two types of materials (n-type silicon-germanium alloys and niobium), was + or - 3 percent. It is shown that the method is applicable up to at least 1300 K.

  19. Parameters estimation using the first passage times method in a jump-diffusion model

    NASA Astrophysics Data System (ADS)

    Khaldi, K.; Meddahi, S.

    2016-06-01

    The main purposes of this paper are two contributions: (1) it presents a new method, which is the first passage time (FPT method) generalized for all passage times (GPT method), in order to estimate the parameters of stochastic Jump-Diffusion process. (2) it compares in a time series model, share price of gold, the empirical results of the estimation and forecasts obtained with the GPT method and those obtained by the moments method and the FPT method applied to the Merton Jump-Diffusion (MJD) model.

  20. A fast finite volume method for conservative space-fractional diffusion equations in convex domains

    NASA Astrophysics Data System (ADS)

    Jia, Jinhong; Wang, Hong

    2016-04-01

    We develop a fast finite volume method for variable-coefficient, conservative space-fractional diffusion equations in convex domains via a volume-penalization approach. The method has an optimal storage and an almost linear computational complexity. The method retains second-order accuracy without requiring a Richardson extrapolation. Numerical results are presented to show the utility of the method.

  1. The Study of Thermal Diffusivity Measurement of Composite Materials by Unsteady Probe Method

    NASA Astrophysics Data System (ADS)

    Saiki, Yukihiro; Yamada, Etsuro; Ikeda, Hiroshi

    The object of this study is to research the possibility of in-line measurement of the thermal diffusivity on composite materials, such as suspension and emulsion, by previously developed apparatus for the dynamic viscosity. The calibration curve between the thermal diffusivity and any physical quantity that can be measured by this apparatus is proposed by the numerical analysis. The experimental results were obtained by using the dispersed materials composed agargel cooking oil (as matrix) and Ti02 particle. Nondimensional effective thermal diffusivity that is the ratio of the effective thermal diffusivity of dispersed materials to the one of the matrix are compared with previous results obtained by periodic heating method. These data of nondimensional values show good agreement with each other. From these results, this measurement apparatus may be applicable for the thermal diffusivity measurement of dispersed materals.

  2. Determination of the diffusion length and surface recombination velocity: Two simple methods

    SciTech Connect

    Duran, J.C.; Venier, G.L.; Tamasi, M.J.L.; Bolzi, C.G.; Pla, J.C.; Godfrin, E.M.

    1997-12-31

    The present paper analyzes two new methods for the estimation of the diffusion length (L{sub d}) and surface recombination velocity (S) through simple and inexpensive equipment. The first one is based on the behavior of the short circuit current (J{sub sc}) under rear illumination, as a function of the cell width (d). In a general case, this model allows one to determine L{sub d} and the effective rear S by a numerical fitting. The second method uses crystalline silicon cells with localized diffusions. A geometry with linear diffusions is considered and the dependence of J{sub sc} with the distance between those diffusions is analyzed by means of a one dimensional model. The second method is applied to n{sup +}pp{sup +} solar cells fabricated in the Argentine Atomic Energy Commission (CNEA).

  3. A Lagrangian particle method for reaction-diffusion systems on deforming surfaces.

    PubMed

    Bergdorf, Michael; Sbalzarini, Ivo F; Koumoutsakos, Petros

    2010-11-01

    Reaction-diffusion processes on complex deforming surfaces are fundamental to a number of biological processes ranging from embryonic development to cancer tumor growth and angiogenesis. The simulation of these processes using continuum reaction-diffusion models requires computational methods capable of accurately tracking the geometric deformations and discretizing on them the governing equations. We employ a Lagrangian level-set formulation to capture the deformation of the geometry and use an embedding formulation and an adaptive particle method to discretize both the level-set equations and the corresponding reaction-diffusion. We validate the proposed method and discuss its advantages and drawbacks through simulations of reaction-diffusion equations on complex and deforming geometries.

  4. Convergence of the binomial tree method for Asian options in jump-diffusion models

    NASA Astrophysics Data System (ADS)

    Kim, Kwang Ik; Qian, Xiao-Song

    2007-06-01

    The binomial tree methods (BTM), first proposed by Cox, Ross and Rubinstein [J. Cox, S. Ross, M. Rubinstein, Option pricing: A simplified approach, J. Finan. Econ. 7 (1979) 229-264] in diffusion models and extended by Amin [K.I. Amin, Jump diffusion option valuation in discrete time, J. Finance 48 (1993) 1833-1863] to jump-diffusion models, is one of the most popular approaches to pricing options. In this paper, we present a binomial tree method for Asian options in jump-diffusion models and show its equivalence to certain explicit difference scheme. Employing numerical analysis and the notion of viscosity solution, we prove the uniform convergence of the binomial tree method for European-style and American-style Asian options.

  5. Numerical approximation of Lévy-Feller fractional diffusion equation via Chebyshev-Legendre collocation method

    NASA Astrophysics Data System (ADS)

    Sweilam, N. H.; Abou Hasan, M. M.

    2016-08-01

    This paper reports a new spectral algorithm for obtaining an approximate solution for the Lévy-Feller diffusion equation depending on Legendre polynomials and Chebyshev collocation points. The Lévy-Feller diffusion equation is obtained from the standard diffusion equation by replacing the second-order space derivative with a Riesz-Feller derivative. A new formula expressing explicitly any fractional-order derivatives, in the sense of Riesz-Feller operator, of Legendre polynomials of any degree in terms of Jacobi polynomials is proved. Moreover, the Chebyshev-Legendre collocation method together with the implicit Euler method are used to reduce these types of differential equations to a system of algebraic equations which can be solved numerically. Numerical results with comparisons are given to confirm the reliability of the proposed method for the Lévy-Feller diffusion equation.

  6. Quantum Diffusion Monte Carlo Method for strong field time dependent problems

    NASA Astrophysics Data System (ADS)

    Kalinski, Matt

    2006-05-01

    We formulate the Quantum Diffusion Quantum Monte Carlo (QDMC) method for the solution of the time-dependent Schr"odinger equation for atoms in strong laser fields. Unlike for the normal diffusion Monte Carlo the wave function is represented by walkers with two kinds or colors which solve two coupled and nonlinear diffusion equations. Those diffusion equations are coupled by the potentials similar to those introduced by Shay which must be added to Schr"odingers equation to obtain classical dynamics equivalent to the quantum mechanics [1]. The potentials are calculated semi-analytically similarly to smoothing methods of smooth particle electrodynamics (SPD) with Gaussian smoothing kernels. We apply this method to strong field two electron ionization of Helium. We calculate two electron double ionization rate in full six-dimensional configuration space quantum mechanically. Comparison with classical mechanics and the low dimensional grid models is also provided. 1cm [1] D. Shay, Phys. Rev A 13, 2261 (1976)

  7. Evaluation of the direct and diffusion methods for the determination of fluoride content in table salt

    PubMed Central

    Martínez-Mier, E. Angeles; Soto-Rojas, Armando E.; Buckley, Christine M.; Margineda, Jorge; Zero, Domenick T.

    2010-01-01

    Objective The aim of this study was to assess methods currently used for analyzing fluoridated salt in order to identify the most useful method for this type of analysis. Basic research design Seventy-five fluoridated salt samples were obtained. Samples were analyzed for fluoride content, with and without pretreatment, using direct and diffusion methods. Element analysis was also conducted in selected samples. Fluoride was added to ultra pure NaCl and non-fluoridated commercial salt samples and Ca and Mg were added to fluoride samples in order to assess fluoride recoveries using modifications to the methods. Results Larger amounts of fluoride were found and recovered using diffusion than direct methods (96%–100% for diffusion vs. 67%–90% for direct). Statistically significant differences were obtained between direct and diffusion methods using different ion strength adjusters. Pretreatment methods reduced the amount of recovered fluoride. Determination of fluoride content was influenced both by the presence of NaCl and other ions in the salt. Conclusion Direct and diffusion techniques for analysis of fluoridated salt are suitable methods for fluoride analysis. The choice of method should depend on the purpose of the analysis. PMID:20088217

  8. Study of acid diffusion behaves form PAG by using top coat method

    NASA Astrophysics Data System (ADS)

    Sekiguchi, Atsushi; Matsumoto, Yoko

    2014-03-01

    Our past research on measurements of simulation parameters for ArF resists focused on establishing methods for measuring the following parameters:[1]-[4] • Development parameters[1] • PEB parameters[2] • Dill's ABC parameters[3] • Quencher parameter[4] We entered these parameters into a lithography simulator and performed ArF resist simulations.We then explored ways to optimize the ArF resist material and process. This paper reports on our study of methods for measuring the diffusion length of acid generated from PAG during exposures. In our experiment, we applied a PAG-containing top coat (TC) material (second layer) to a PAG-free ArF resist (first layer), then performed the exposure and PEB processes. The acid generated in the TC during the exposure diffused into the ArF resist in the lower layer (first layer) when PEB was performed. The process of developing this sample removed the TC in the second layer and the parts of the first layer into which the acid had diffused.We obtained the acid diffusion length based on the quantity of film removed by the development. We calculated the acid diffusion coefficient after varying the exposure value and repeating the measurement. For this report, we also performed measurements to determine how differences in PAG anion size, amount of quencher additive, and PEB temperature affected the acid diffusion coefficient.We entered the measurements obtained into the PROLITH simulator and explored the effects of acid diffusion on pattern profile.

  9. Method of applying a cerium diffusion coating to a metallic alloy

    SciTech Connect

    Jablonski, Paul D.; Alman, David E.

    2009-06-30

    A method of applying a cerium diffusion coating to a preferred nickel base alloy substrate has been discovered. A cerium oxide paste containing a halide activator is applied to the polished substrate and then dried. The workpiece is heated in a non-oxidizing atmosphere to diffuse cerium into the substrate. After cooling, any remaining cerium oxide is removed. The resulting cerium diffusion coating on the nickel base substrate demonstrates improved resistance to oxidation. Cerium coated alloys are particularly useful as components in a solid oxide fuel cell (SOFC).

  10. Stable and low diffusive hybrid upwind splitting methods

    NASA Technical Reports Server (NTRS)

    Coquel, Frederic; Liou, Meng-Sing

    1992-01-01

    We introduce in this paper a new concept for upwinding: the Hybrid Upwind Splitting (HUS). This original strategy for upwinding is achieved by combining the two previous existing approaches, the Flux Vector (FVS) and Flux Difference Splittings (FDS), while retaining their own interesting features. Indeed, our approach yields upwind methods that share the robustness of FVS schemes in the capture of nonlinear waves and the accuracy of some FDS schemes in the capture of linear waves. We describe here some examples of such HUS methods obtained by hybridizing the Osher approach with FVS schemes. Numerical illustrations are displayed and will prove in particular the relevance of the HUS methods we propose for viscous calculations.

  11. Approximate solution of two-term fractional-order diffusion, wave-diffusion, and telegraph models arising in mathematical physics using optimal homotopy asymptotic method

    NASA Astrophysics Data System (ADS)

    Sarwar, S.; Rashidi, M. M.

    2016-07-01

    This paper deals with the investigation of the analytical approximate solutions for two-term fractional-order diffusion, wave-diffusion, and telegraph equations. The fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], (1,2), and [1,2], respectively. In this paper, we extended optimal homotopy asymptotic method (OHAM) for two-term fractional-order wave-diffusion equations. Highly approximate solution is obtained in series form using this extended method. Approximate solution obtained by OHAM is compared with the exact solution. It is observed that OHAM is a prevailing and convergent method for the solutions of nonlinear-fractional-order time-dependent partial differential problems. The numerical results rendering that the applied method is explicit, effective, and easy to use, for handling more general fractional-order wave diffusion, diffusion, and telegraph problems.

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

    NASA Technical Reports Server (NTRS)

    Mazaheri, Alireza; Nishikawa, Hiroaki

    2014-01-01

    A time-dependent extension of the first-order hyperbolic system method for advection-diffusion problems is introduced. Diffusive/viscous terms are written and discretized as a hyperbolic system, which recovers the original equation in the steady state. The resulting scheme offers advantages over traditional schemes: a dramatic simplification in the discretization, high-order accuracy in the solution gradients, and orders-of-magnitude convergence acceleration. The hyperbolic advection-diffusion system is discretized by the second-order upwind residual-distribution scheme in a unified manner, and the system of implicit-residual-equations is solved by Newton's method over every physical time step. The numerical results are presented for linear and nonlinear advection-diffusion problems, demonstrating solutions and gradients produced to the same order of accuracy, with rapid convergence over each physical time step, typically less than five Newton iterations.

  13. A new method of optimal design for a two-dimensional diffuser by using dynamic programming

    NASA Technical Reports Server (NTRS)

    Gu, Chuangang; Zhang, Moujin; Chen, XI; Miao, Yongmiao

    1991-01-01

    A new method for predicting the optimal velocity distribution on the wall of a two dimensional diffuser is presented. The method uses dynamic programming to solve the optimal control problem with inequality constraints of state variables. The physical model of optimization is designed to prevent the separation of the boundary layer while approaching the maximum pressure ratio in a diffuser of a specified length. The computational results are in fair agreement with the experimental ones. Optimal velocity distribution on a diffuser wall is said to occur when the flow decelerates quickly at first and then smoothly, while the flow is near separation, but always protected from it. The optimal velocity distribution can be used to design the contour of the diffuser.

  14. The Diffusion of Evaluation Methods among Public Relations Practitioners.

    ERIC Educational Resources Information Center

    Dozier, David M.

    A study explored the relationships between public relations practitioners' organizational roles and the type of evaluation methods they used on the job. Based on factor analysis of role data obtained from an earlier study, four organizational roles were defined and ranked: communication manager, media relations specialist, communication liaison,…

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

    NASA Astrophysics Data System (ADS)

    Dorval, Eric

    2014-06-01

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

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

    PubMed Central

    Lichenstein, Sarah D.; Bishop, James H.; Verstynen, Timothy D.; Yeh, Fang-Cheng

    2016-01-01

    Purpose: Diffusion MRI provides a non-invasive way of estimating structural connectivity in the brain. Many studies have used diffusion phantoms as benchmarks to assess the performance of different tractography reconstruction algorithms and assumed that the results can be applied to in vivo studies. Here we examined whether quality metrics derived from a common, publically available, diffusion phantom can reliably predict tractography performance in human white matter tissue. Materials and Methods: We compared estimates of fiber length and fiber crossing among a simple tensor model (diffusion tensor imaging), a more complicated model (ball-and-sticks) and model-free (diffusion spectrum imaging, generalized q-sampling imaging) reconstruction methods using a capillary phantom and in vivo human data (N = 14). Results: Our analysis showed that evaluation outcomes differ depending on whether they were obtained from phantom or human data. Specifically, the diffusion phantom favored a more complicated model over a simple tensor model or model-free methods for resolving crossing fibers. On the other hand, the human studies showed the opposite pattern of results, with the model-free methods being more advantageous than model-based methods or simple tensor models. This performance difference was consistent across several metrics, including estimating fiber length and resolving fiber crossings in established white matter pathways. Conclusions: These findings indicate that the construction of current capillary diffusion phantoms tends to favor complicated reconstruction models over a simple tensor model or model-free methods, whereas the in vivo data tends to produce opposite results. This brings into question the previous phantom-based evaluation approaches and suggests that a more realistic phantom or simulation is necessary to accurately predict the relative performance of different tractography reconstruction methods. PMID:27656122

  17. Method of fluxless brazing and diffusion bonding of aluminum containing components

    NASA Technical Reports Server (NTRS)

    Featherston, A. B.; Okelly, K. P. (Inventor)

    1976-01-01

    A method of diffusion bonding and fluxless brazing of aluminum containing components is reported. The aluminum surfaces are freed of any aluminum oxide coating and are coated with a polymeric sealer which can be thermally removed leaving essentially no residue. The polymeric sealer is being removed in a substantially oxygen free environment, and the aluminum components are then being brazed or diffusion bonded without the use of a flux to remove oxide coating.

  18. The arbitrary order mixed mimetic finite difference method for the diffusion equation

    DOE PAGES

    Gyrya, Vitaliy; Lipnikov, Konstantin; Manzini, Gianmarco

    2016-05-01

    Here, we propose an arbitrary-order accurate mimetic finite difference (MFD) method for the approximation of diffusion problems in mixed form on unstructured polygonal and polyhedral meshes. As usual in the mimetic numerical technology, the method satisfies local consistency and stability conditions, which determines the accuracy and the well-posedness of the resulting approximation. The method also requires the definition of a high-order discrete divergence operator that is the discrete analog of the divergence operator and is acting on the degrees of freedom. The new family of mimetic methods is proved theoretically to be convergent and optimal error estimates for flux andmore » scalar variable are derived from the convergence analysis. A numerical experiment confirms the high-order accuracy of the method in solving diffusion problems with variable diffusion tensor. It is worth mentioning that the approximation of the scalar variable presents a superconvergence effect.« less

  19. The arbitrary order mixed mimetic finite difference method for the diffusion equation

    SciTech Connect

    Gyrya, Vitaliy; Lipnikov, Konstantin; Manzini, Gianmarco

    2016-05-01

    Here, we propose an arbitrary-order accurate mimetic finite difference (MFD) method for the approximation of diffusion problems in mixed form on unstructured polygonal and polyhedral meshes. As usual in the mimetic numerical technology, the method satisfies local consistency and stability conditions, which determines the accuracy and the well-posedness of the resulting approximation. The method also requires the definition of a high-order discrete divergence operator that is the discrete analog of the divergence operator and is acting on the degrees of freedom. The new family of mimetic methods is proved theoretically to be convergent and optimal error estimates for flux and scalar variable are derived from the convergence analysis. A numerical experiment confirms the high-order accuracy of the method in solving diffusion problems with variable diffusion tensor. It is worth mentioning that the approximation of the scalar variable presents a superconvergence effect.

  20. A coarse-mesh nodal method-diffusive-mesh finite difference method

    SciTech Connect

    Joo, H.; Nichols, W.R.

    1994-05-01

    Modern nodal methods have been successfully used for conventional light water reactor core analyses where the homogenized, node average cross sections (XSs) and the flux discontinuity factors (DFs) based on equivalence theory can reliably predict core behavior. For other types of cores and other geometries characterized by tightly-coupled, heterogeneous core configurations, the intranodal flux shapes obtained from a homogenized nodal problem may not accurately portray steep flux gradients near fuel assembly interfaces or various reactivity control elements. This may require extreme values of DFs (either very large, very small, or even negative) to achieve a desired solution accuracy. Extreme values of DFs, however, can disrupt the convergence of the iterative methods used to solve for the node average fluxes, and can lead to a difficulty in interpolating adjacent DF values. Several attempts to remedy the problem have been made, but nothing has been satisfactory. A new coarse-mesh nodal scheme called the Diffusive-Mesh Finite Difference (DMFD) technique, as contrasted with the coarse-mesh finite difference (CMFD) technique, has been developed to resolve this problem. This new technique and the development of a few-group, multidimensional kinetics computer program are described in this paper.

  1. Inaccuracy of the disk diffusion method compared with the agar dilution method for susceptibility testing of Campylobacter spp.

    PubMed

    Lehtopolku, Mirva; Kotilainen, Pirkko; Puukka, Pauli; Nakari, Ulla-Maija; Siitonen, Anja; Eerola, Erkki; Huovinen, Pentti; Hakanen, Antti J

    2012-01-01

    The agar dilution method has been standardized by the CLSI for the susceptibility testing of Campylobacter species, and according to these standards, the disk diffusion method should be used only in screening for macrolide and ciprofloxacin resistance. Nevertheless, the disk diffusion test is currently widely used, since it is easy to perform in clinical microbiology laboratories. In this study, the disk diffusion method was compared to the agar dilution method by analyzing the in vitro activities of seven antimicrobial agents against 174 Campylobacter strains collected in Finland between 2003 and 2008. Recommendations of the CLSI were followed using Mueller-Hinton agar plates with 5% of sheep blood. For each strain, the disk diffusion tests were performed two to four times. Of the 33 erythromycin-resistant strains (MIC, ≥16 μg/ml), 24 (73%) constantly showed a 6-mm erythromycin inhibition zone (i.e., no inhibition), while for seven strains the inhibition zone varied from 6 to 44 mm in repeated measurements. Among the 141 erythromycin-susceptible strains (MIC, <16 μg/ml), erythromycin inhibition zones varied between 6 and 61 mm. Of the 87 ciprofloxacin-resistant strains, 47 (54%) showed 6-mm inhibition zones, while 40 strains showed inhibition zones between 6 and 60 mm. Significant differences between the repetitions were observed in the disk diffusion for all antimicrobial agents and all strains except for the macrolide-resistant strains regarding the macrolides. For 17 (10%) strains, the variation in repeated measurements was substantial. These results show that the disk diffusion method may not be a reliable tool for the susceptibility testing of Campylobacter spp. Further studies are needed to assess whether the disk diffusion test could be improved or whether all susceptibilities of campylobacters should be tested using an MIC-based method.

  2. Fourier spectral method for higher order space fractional reaction-diffusion equations

    NASA Astrophysics Data System (ADS)

    Pindza, Edson; Owolabi, Kolade M.

    2016-11-01

    Evolution equations containing fractional derivatives can provide suitable mathematical models for describing important physical phenomena. In this paper, we propose a fast and accurate method for numerical solutions of space fractional reaction-diffusion equations. The proposed method is based on an exponential integrator scheme in time and the Fourier spectral method in space. The main advantages of this method are that it yields a fully diagonal representation of the fractional operator, with increased accuracy and efficiency, and a completely straightforward extension to high spatial dimensions. Although, in general, it is not obvious what role a high fractional derivative can play and how to make use of arbitrarily high-order fractional derivatives, we introduce them to describe fractional hyper-diffusions in reaction diffusion. The scheme justified by a number of computational experiments, this includes two and three dimensional partial differential equations. Numerical experiments are provided to validate the effectiveness of the proposed approach.

  3. Accelerated molecular dynamics and equation-free methods for simulating diffusion in solids.

    SciTech Connect

    Deng, Jie; Zimmerman, Jonathan A.; Thompson, Aidan Patrick; Brown, William Michael; Plimpton, Steven James; Zhou, Xiao Wang; Wagner, Gregory John; Erickson, Lindsay Crowl

    2011-09-01

    Many of the most important and hardest-to-solve problems related to the synthesis, performance, and aging of materials involve diffusion through the material or along surfaces and interfaces. These diffusion processes are driven by motions at the atomic scale, but traditional atomistic simulation methods such as molecular dynamics are limited to very short timescales on the order of the atomic vibration period (less than a picosecond), while macroscale diffusion takes place over timescales many orders of magnitude larger. We have completed an LDRD project with the goal of developing and implementing new simulation tools to overcome this timescale problem. In particular, we have focused on two main classes of methods: accelerated molecular dynamics methods that seek to extend the timescale attainable in atomistic simulations, and so-called 'equation-free' methods that combine a fine scale atomistic description of a system with a slower, coarse scale description in order to project the system forward over long times.

  4. A method of online quantitative interpretation of diffuse reflection profiles of biological tissues

    NASA Astrophysics Data System (ADS)

    Lisenko, S. A.; Kugeiko, M. M.

    2013-02-01

    We have developed a method of combined interpretation of spectral and spatial characteristics of diffuse reflection of biological tissues, which makes it possible to determine biophysical parameters of the tissue with a high accuracy in real time under conditions of their general variability. Using the Monte Carlo method, we have modeled a statistical ensemble of profiles of diffuse reflection coefficients of skin, which corresponds to a wave variation of its biophysical parameters. On its basis, we have estimated the retrieval accuracy of biophysical parameters using the developed method and investigated the stability of the method to errors of optical measurements. We have showed that it is possible to determine online the concentrations of melanin, hemoglobin, bilirubin, oxygen saturation of blood, and structural parameters of skin from measurements of its diffuse reflection in the spectral range 450-800 nm at three distances between the radiation source and detector.

  5. Two regularization methods for solving a Riesz-Feller space-fractional backward diffusion problem

    NASA Astrophysics Data System (ADS)

    Zheng, G. H.; Wei, T.

    2010-11-01

    In this paper, a backward diffusion problem for a space-fractional diffusion equation (SFDE) in a strip is investigated. Such a problem is obtained from the classical diffusion equation in which the second-order space derivative is replaced with a Riesz-Feller derivative of order β in (0, 2]. We show that such a problem is severely ill-posed and further propose a new regularization method and apply a spectral regularization method to solve it based on the solution given by the Fourier method. Convergence estimates are presented under a priori bound assumptions for the exact solution. Finally, numerical examples are given to show that the proposed numerical methods are effective.

  6. Method of fabricating reflection-mode EUV diffusers

    DOEpatents

    Anderson, Erik; Naulleau, Patrick P.

    2005-03-01

    Techniques for fabricating well-controlled, random relief, engineered surfaces that serve as substrates for EUV optical devices are accomplished with grayscale exposure. The method of fabricating a multilevel EUV optical element includes: (a) providing a substrate; (b) depositing a layer of curable material on a surface of the substrate; (c) creating a relief profile in a layer of cured material from the layer of curable material wherein the relief profile comprises multiple levels of cured material that has a defined contour; and (d) depositing a multilayer reflection film over the relief profile wherein the film has an outer contour that substantially matches that of the relief profile. The curable material can comprise photoresist or a low dielectric constant material.

  7. An Error Analysis for the Finite Element Method Applied to Convection Diffusion Problems.

    DTIC Science & Technology

    1981-03-01

    D TFhG-]NOLOGY k 4b 00 \\" ) ’b Technical Note BN-962 AN ERROR ANALYSIS FOR THE FINITE ELEMENT METHOD APPLIED TO CONVECTION DIFFUSION PROBLEM by I...Babu~ka and W. G. Szym’czak March 1981 V.. UNVI I Of- ’i -S AN ERROR ANALYSIS FOR THE FINITE ELEMENT METHOD P. - 0 w APPLIED TO CONVECTION DIFFUSION ...AOAO98 895 MARYLAND UNIVYCOLLEGE PARK INST FOR PHYSICAL SCIENCE--ETC F/G 12/I AN ERROR ANALYIS FOR THE FINITE ELEMENT METHOD APPLIED TO CONV..ETC (U

  8. Methods for calculating X-ray diffuse scattering from a crystalline medium with spheroidal quantum dots

    NASA Astrophysics Data System (ADS)

    Punegov, V. I.; Sivkov, D. V.

    2015-03-01

    Two independent approaches to calculate the angular distribution of X-ray diffusion scattering from a crystalline medium with spheroidal quantum dots (QDs) have been proposed. The first method is based on the analytical solution involving the multipole expansion of elastic strain fields beyond QDs. The second approach is based on calculations of atomic displacements near QDs by the Green's function method. An analysis of the diffuse scattering intensity distribution in the reciprocal space within these two approaches shows that both methods yield similar results for the chosen models of QD spatial distribution.

  9. Method for site characterization of anisotropic diffuse illumination of photovoltaic systems

    NASA Astrophysics Data System (ADS)

    Russo, Juan M.; Zhang, Deming; Vorndran, Shelby; Gordon, Michael; Castillo, Jose; Brooks, Adria; Lonij, Vincent; Cronin, Alex; Kostuk, Raymond

    2012-10-01

    In this paper a method to characterize the anisotropy of diffuse illumination incident on photovoltaic systems is presented. PV systems are designed based on standard conditions in which only consider direct and isotropic diffuse illumination. Anisotropic illumination can cause the PV system output to step outside of the design specifications. A baffled multi-detector sensor system is described having a discrete set of azimuthal and declination angle combinations in order to constantly sample the irradiance and the incidence angle of the diffuse illumination in all zenith directions. The sensor was deployed in the Tucson Electric Power Solar Test Yard alongside with commercially available PV systems that are independently monitored. Constant and transient sources of anisotropic diffuse illumination, such as surface reflection and cloud edge effects respectively, are measured and modeled with ray tracing software. Results of the method are described for characterizing diffuse illumination at the TEP Solar Test Yard. Understanding the anisotropic diffuse illumination can potentially allow to more accurately predict PV system or to optimize energy harvesting of systems with non-standard mounting conditions as well as building integrated photovoltaic applications.

  10. The Local Discontinuous Galerkin Method for Time-Dependent Convection-Diffusion Systems

    NASA Technical Reports Server (NTRS)

    Cockburn, Bernardo; Shu, Chi-Wang

    1997-01-01

    In this paper, we study the Local Discontinuous Galerkin methods for nonlinear, time-dependent convection-diffusion systems. These methods are an extension of the Runge-Kutta Discontinuous Galerkin methods for purely hyperbolic systems to convection-diffusion systems and share with those methods their high parallelizability, their high-order formal accuracy, and their easy handling of complicated geometries, for convection dominated problems. It is proven that for scalar equations, the Local Discontinuous Galerkin methods are L(sup 2)-stable in the nonlinear case. Moreover, in the linear case, it is shown that if polynomials of degree k are used, the methods are k-th order accurate for general triangulations; although this order of convergence is suboptimal, it is sharp for the LDG methods. Preliminary numerical examples displaying the performance of the method are shown.

  11. Laser interferometric method for determining the carrier diffusion length in semiconductors

    SciTech Connect

    Manukhov, V. V.; Fedortsov, A. B.; Ivanov, A. S.

    2015-09-15

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

  12. Segmentation of ventricles in Alzheimer mr images using anisotropic diffusion filtering and level set method.

    PubMed

    Anandh, K R; Sujatha, C M; Ramakrishnan, S

    2014-01-01

    Ventricle enlargement is a useful structural biomarker for the diagnosis of Alzheimer’s Disease (AD). This devastating neurodegenerative disorder results in progression of dementia. Although AD results in the passive increment of ventricle volume, there exists a large overlap in the volume measurements of AD and normal subjects. Hence, shape based analysis of ventricle dilation is appropriate to detect the subtle morphological changes among these two groups. In this work, segmentation of ventricle in Alzheimer MR images is employed using level set method and anisotropic based diffusion filtering. Images considered for this study are preprocessed using filters. Anisotropic based diffusion filtering is employed to extract the edge map. This filtering performs region specific smoothing process using the diffusion coefficient as a function of image gradient. Filtered images are subjected to level set method which employs an improved diffusion rate equation for the level set evolution. Geometric features are extracted from the segmented ventricles. Results show that the diffusion filter could extract edge map with sharp region boundaries. The modified level set method is able to extract the morphological changes in ventricles. The observed morphological changes are distinct for normal and AD subjects (p < 0.0001). It is also observed that the sizes of ventricle in the AD subjects are noticeably enlarged when compared to normal subjects. Features obtained from the segmented ventricles are also clearly distinct and demonstrate the differences in the AD subjects. As ventricle volume and its morphometry are significant biomarkers, this study seems to be clinically relevant.

  13. Monte Carlo-based diffusion tensor tractography with a geometrically corrected voxel-centre connecting method

    NASA Astrophysics Data System (ADS)

    Bodammer, N. C.; Kaufmann, J.; Kanowski, M.; Tempelmann, C.

    2009-02-01

    Diffusion tensor tractography (DTT) allows one to explore axonal connectivity patterns in neuronal tissue by linking local predominant diffusion directions determined by diffusion tensor imaging (DTI). The majority of existing tractography approaches use continuous coordinates for calculating single trajectories through the diffusion tensor field. The tractography algorithm we propose is characterized by (1) a trajectory propagation rule that uses voxel centres as vertices and (2) orientation probabilities for the calculated steps in a trajectory that are obtained from the diffusion tensors of either two or three voxels. These voxels include the last voxel of each previous step and one or two candidate successor voxels. The precision and the accuracy of the suggested method are explored with synthetic data. Results clearly favour probabilities based on two consecutive successor voxels. Evidence is also provided that in any voxel-centre-based tractography approach, there is a need for a probability correction that takes into account the geometry of the acquisition grid. Finally, we provide examples in which the proposed fibre-tracking method is applied to the human optical radiation, the cortico-spinal tracts and to connections between Broca's and Wernicke's area to demonstrate the performance of the proposed method on measured data.

  14. Measurement of through-thickness thermal diffusivity of thermoplastics using thermal wave method

    NASA Astrophysics Data System (ADS)

    Singh, R.; Mellinger, A.

    2015-04-01

    Thermo-physical properties, such as thermal conductivity, thermal diffusivity and specific heat are important quantities that are needed to interpret and characterize thermoplastic materials. Such characterization is necessary for many applications, ranging from aerospace engineering to food packaging, electrical and electronic industry and medical science. In this work, the thermal diffusivity of commercially available polymeric films is measured in the thickness direction at room temperature using thermal wave method. The results obtained with this method are in good agreement with theoretical and experimental values.

  15. An asymptotic induced numerical method for the convection-diffusion-reaction equation

    NASA Technical Reports Server (NTRS)

    Scroggs, Jeffrey S.; Sorensen, Danny C.

    1988-01-01

    A parallel algorithm for the efficient solution of a time dependent reaction convection diffusion equation with small parameter on the diffusion term is presented. The method is based on a domain decomposition that is dictated by singular perturbation analysis. The analysis is used to determine regions where certain reduced equations may be solved in place of the full equation. Parallelism is evident at two levels. Domain decomposition provides parallelism at the highest level, and within each domain there is ample opportunity to exploit parallelism. Run time results demonstrate the viability of the method.

  16. Finite element method for nonlinear Riesz space fractional diffusion equations on irregular domains

    NASA Astrophysics Data System (ADS)

    Yang, Z.; Yuan, Z.; Nie, Y.; Wang, J.; Zhu, X.; Liu, F.

    2017-02-01

    In this paper, we consider two-dimensional Riesz space fractional diffusion equations with nonlinear source term on convex domains. Applying Galerkin finite element method in space and backward difference method in time, we present a fully discrete scheme to solve Riesz space fractional diffusion equations. Our breakthrough is developing an algorithm to form stiffness matrix on unstructured triangular meshes, which can help us to deal with space fractional terms on any convex domain. The stability and convergence of the scheme are also discussed. Numerical examples are given to verify accuracy and stability of our scheme.

  17. Determination of diffusion coefficients in polypyrrole thin films using a current pulse relaxation method

    NASA Technical Reports Server (NTRS)

    Penner, Reginald M.; Vandyke, Leon S.; Martin, Charles R.

    1987-01-01

    The current pulse E sub oc relaxation method and its application to the determination of diffusion coefficients in electrochemically synthesized polypyrrole thin films is described. Diffusion coefficients for such films in Et4NBF4 and MeCN are determined for a series of submicron film thicknesses. Measurement of the double-layer capacitance, C sub dl, and the resistance, R sub u, of polypyrrole thin films as a function of potential obtained with the galvanostatic pulse method is reported. Measurements of the electrolyte concentration in reduced polypyrrole films are also presented to aid in the interpretation of the data.

  18. Calculation of the neutron diffusion equation by using Homotopy Perturbation Method

    NASA Astrophysics Data System (ADS)

    Koklu, H.; Ersoy, A.; Gulecyuz, M. C.; Ozer, O.

    2016-03-01

    The distribution of the neutrons in a nuclear fuel element in the nuclear reactor core can be calculated by the neutron diffusion theory. It is the basic and the simplest approximation for the neutron flux function in the reactor core. In this study, the neutron flux function is obtained by the Homotopy Perturbation Method (HPM) that is a new and convenient method in recent years. One-group time-independent neutron diffusion equation is examined for the most solved geometrical reactor core of spherical, cubic and cylindrical shapes, in the frame of the HPM. It is observed that the HPM produces excellent results consistent with the existing literature.

  19. NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION

    PubMed Central

    Liu, F.; Meerschaert, M.M.; McGough, R.J.; Zhuang, P.; Liu, Q.

    2013-01-01

    In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and techniques can also be extended to other kinds of the multi-term fractional time-space models with fractional Laplacian. PMID:23772179

  20. Study of the diffusion of points defects in crystalline silicon using the kinetic ART method

    NASA Astrophysics Data System (ADS)

    Trochet, Mickael; Brommer, Peter; Beland, Laurent-Karim; Joly, Jean-Francois; Mousseau, Normand

    2013-03-01

    Because of the long-time scale involved, the activated diffusion of point defects is often studied in standard molecular dynamics at high temperatures only, making it more difficult to characterize complex diffusion mechanisms. Here, we turn to the study of point defect diffusion in crystalline silicon using kinetic ART (kART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building based on the activation-relaxation technique (ART nouveau). By generating catalogs of diffusion mechanisms and fully incorporating elastic and off-lattice effects, kART is a unique tool for characterizing this problem. More precisely, using kART with the standard Stillinger-Weber potential we consider the evolution of crystalline cells with 1 to 4 vacancies and 1 to 4 interstitials at various temperatures and to provide a detailed picture of both the atomistic diffusion mechanisms and overall kinetics in addition to identifying special configurations such as a 2-interstitial super-diffuser.

  1. Fast finite difference methods for space-fractional diffusion equations with fractional derivative boundary conditions

    NASA Astrophysics Data System (ADS)

    Jia, Jinhong; Wang, Hong

    2015-07-01

    Numerical methods for space-fractional diffusion equations often generate dense or even full stiffness matrices. Traditionally, these methods were solved via Gaussian type direct solvers, which requires O (N3) of computational work per time step and O (N2) of memory to store where N is the number of spatial grid points in the discretization. In this paper we develop a preconditioned fast Krylov subspace iterative method for the efficient and faithful solution of finite difference methods (both steady-state and time-dependent) space-fractional diffusion equations with fractional derivative boundary conditions in one space dimension. The method requires O (N) of memory and O (Nlog ⁡ N) of operations per iteration. Due to the application of effective preconditioners, significantly reduced numbers of iterations were achieved that further reduces the computational cost of the fast method. Numerical results are presented to show the utility of the method.

  2. Investigation of the mineralization process of biosystems by IR diffuse reflection spectroscopy methods

    NASA Astrophysics Data System (ADS)

    Zolotarev, V. M.

    2014-04-01

    Particular features of the application of Fourier-transform IR diffuse reflection spectroscopy methods to the in situ investigation of spectra of porous rough objects have been considered. The reciprocal influence of the scattering and absorption of porous objects on the formation of the impurity-band contour in the diffuse reflection spectrum when the impurity center is in the vicinity of the fundamental IR absorption band has been analyzed. Using methods of Fourier-transform IR diffuse reflection spectroscopy, processes of mineralization of fragments of mammoth tusks from a multilayer paleolithic site at Yudinovo (Bryansk oblast, Russia) and fragments of mammoth tusks from Yakutia (Russia) have been investigated. Particular features of mineralization processes (carbonate formation and silicification) on the surface and in the volume of objects at different conditions of their burial (humidity, temperature, soil acidity) have been studied.

  3. Numerical simulation of diffusion MRI signals using an adaptive time-stepping method

    NASA Astrophysics Data System (ADS)

    Li, Jing-Rebecca; Calhoun, Donna; Poupon, Cyril; Le Bihan, Denis

    2014-01-01

    The effect on the MRI signal of water diffusion in biological tissues in the presence of applied magnetic field gradient pulses can be modelled by a multiple compartment Bloch-Torrey partial differential equation. We present a method for the numerical solution of this equation by coupling a standard Cartesian spatial discretization with an adaptive time discretization. The time discretization is done using the explicit Runge-Kutta-Chebyshev method, which is more efficient than the forward Euler time discretization for diffusive-type problems. We use this approach to simulate the diffusion MRI signal from the extra-cylindrical compartment in a tissue model of the brain gray matter consisting of cylindrical and spherical cells and illustrate the effect of cell membrane permeability.

  4. An enriched finite element method to fractional advection-diffusion equation

    NASA Astrophysics Data System (ADS)

    Luan, Shengzhi; Lian, Yanping; Ying, Yuping; Tang, Shaoqiang; Wagner, Gregory J.; Liu, Wing Kam

    2017-03-01

    In this paper, an enriched finite element method with fractional basis [ 1,x^{α }] for spatial fractional partial differential equations is proposed to obtain more stable and accurate numerical solutions. For pure fractional diffusion equation without advection, the enriched Galerkin finite element method formulation is demonstrated to simulate the exact solution successfully without any numerical oscillation, which is advantageous compared to the traditional Galerkin finite element method with integer basis [ 1,x] . For fractional advection-diffusion equation, the oscillatory behavior becomes complex due to the introduction of the advection term which can be characterized by a fractional element Peclet number. For the purpose of addressing the more complex numerical oscillation, an enriched Petrov-Galerkin finite element method is developed by using a dimensionless fractional stabilization parameter, which is formulated through a minimization of the residual of the nodal solution. The effectiveness and accuracy of the enriched finite element method are demonstrated by a series of numerical examples of fractional diffusion equation and fractional advection-diffusion equation, including both one-dimensional and two-dimensional, steady-state and time-dependent cases.

  5. Group iterative methods for the solution of two-dimensional time-fractional diffusion equation

    NASA Astrophysics Data System (ADS)

    Balasim, Alla Tareq; Ali, Norhashidah Hj. Mohd.

    2016-06-01

    Variety of problems in science and engineering may be described by fractional partial differential equations (FPDE) in relation to space and/or time fractional derivatives. The difference between time fractional diffusion equations and standard diffusion equations lies primarily in the time derivative. Over the last few years, iterative schemes derived from the rotated finite difference approximation have been proven to work well in solving standard diffusion equations. However, its application on time fractional diffusion counterpart is still yet to be investigated. In this paper, we will present a preliminary study on the formulation and analysis of new explicit group iterative methods in solving a two-dimensional time fractional diffusion equation. These methods were derived from the standard and rotated Crank-Nicolson difference approximation formula. Several numerical experiments were conducted to show the efficiency of the developed schemes in terms of CPU time and iteration number. At the request of all authors of the paper an updated version of this article was published on 7 July 2016. The original version supplied to AIP Publishing contained an error in Table 1 and References 15 and 16 were incomplete. These errors have been corrected in the updated and republished article.

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

  7. A comparison study of solving diffusion equations with different algorithm methods

    NASA Astrophysics Data System (ADS)

    Huang, Houbing; Wang, Xueyun; Ma, Xingqiao

    2016-12-01

    A comparison study for solving diffusion equations with different algorithm methods is studied to understand the oxygen vacancy defect transport under the electric field. We compare computational efficiency and numerical accuracy with different algorithm methods, including finite difference, finite element (COMSOL), and Fourier-Chebysev spectral methods. All the results of oxygen vacancy distribution under an electric field from different algorithm methods are compared with the analytical solution results. Two kinds of boundary conditions are used in solving diffusion equations and the absolute error of different methods are discussed. The main purpose of these results is to provide guidance for studying the role of point defect transport in the degradation and breakdown of devices.

  8. DEVELOPMENT OF LOW-DIFFUSION FLUX-SPLITTING METHODS FOR DENSE GAS-SOLID FLOWS

    EPA Science Inventory

    The development of a class of low-diffusion upwinding methods for computing dense gas-solid flows is presented in this work. An artificial compressibility/low-Mach preconditioning strategy is developed for a hyperbolic two-phase flow equation system consisting of separate solids ...

  9. A semi-analytical method for simulating matrix diffusion in numerical transport models

    NASA Astrophysics Data System (ADS)

    Falta, Ronald W.; Wang, Wenwen

    2017-02-01

    A semi-analytical approximation for transient matrix diffusion is developed for use in numerical contaminant transport simulators. This method is an adaptation and extension of the heat conduction method of Vinsome and Westerveld (1980) used to simulate heat losses during thermally enhanced oil recovery. The semi-analytical method is used in place of discretization of the low permeability materials, and it represents the concentration profile in the low permeability materials with a fitting function that is adjusted in each element at each time-step. The resulting matrix diffusion fluxes are added to the numerical model as linear concentration-dependent source/sink terms. Since only the high permeability zones need to be discretized, the numerical formulation is extremely efficient compared to traditional approaches that require discretization of both the high and low permeability zones. The semi-analytical method compares favorably with the analytical solution for transient one-dimensional diffusion with first order decay, with a two-layer aquifer/aquitard solution, with the solution for transport in a fracture with matrix diffusion and decay, and with a fully numerical solution for transport in a thin sand zone bounded by clay with variable decay rates.

  10. Liquid-phase thermal diffusion isotope separation apparatus and method having tapered column

    DOEpatents

    Rutherford, W.M.

    1985-12-04

    A thermal diffusion counterflow method and apparatus for separating isotopes in solution in which the solution is confined in a long, narrow, vertical slit which tapers from bottom to top. The variation in the width of the slit permits maintenance of a stable concentration distribution with relatively long columns, thus permitting isotopic separation superior to that obtained in the prior art.

  11. A semi-analytical method for simulating matrix diffusion in numerical transport models.

    PubMed

    Falta, Ronald W; Wang, Wenwen

    2017-02-01

    A semi-analytical approximation for transient matrix diffusion is developed for use in numerical contaminant transport simulators. This method is an adaptation and extension of the heat conduction method of Vinsome and Westerveld (1980) used to simulate heat losses during thermally enhanced oil recovery. The semi-analytical method is used in place of discretization of the low permeability materials, and it represents the concentration profile in the low permeability materials with a fitting function that is adjusted in each element at each time-step. The resulting matrix diffusion fluxes are added to the numerical model as linear concentration-dependent source/sink terms. Since only the high permeability zones need to be discretized, the numerical formulation is extremely efficient compared to traditional approaches that require discretization of both the high and low permeability zones. The semi-analytical method compares favorably with the analytical solution for transient one-dimensional diffusion with first order decay, with a two-layer aquifer/aquitard solution, with the solution for transport in a fracture with matrix diffusion and decay, and with a fully numerical solution for transport in a thin sand zone bounded by clay with variable decay rates.

  12. Liquid-phase thermal diffusion isotope separation apparatus and method having tapered column

    DOEpatents

    Rutherford, William M.

    1988-05-24

    A thermal diffusion counterflow method and apparatus for separating isotopes in solution in which the solution is confined in a long, narrow, vertical slit which tapers from bottom to top. The variation in the width of the slit permits maintenance of a stable concentration distribution with relatively long columns, thus permitting isotopic separation superior to that obtainable in the prior art.

  13. A moving mesh finite difference method for equilibrium radiation diffusion equations

    SciTech Connect

    Yang, Xiaobo; Huang, Weizhang; Qiu, Jianxian

    2015-10-01

    An efficient moving mesh finite difference method is developed for the numerical solution of equilibrium radiation diffusion equations in two dimensions. The method is based on the moving mesh partial differential equation approach and moves the mesh continuously in time using a system of meshing partial differential equations. The mesh adaptation is controlled through a Hessian-based monitor function and the so-called equidistribution and alignment principles. Several challenging issues in the numerical solution are addressed. Particularly, the radiation diffusion coefficient depends on the energy density highly nonlinearly. This nonlinearity is treated using a predictor–corrector and lagged diffusion strategy. Moreover, the nonnegativity of the energy density is maintained using a cutoff method which has been known in literature to retain the accuracy and convergence order of finite difference approximation for parabolic equations. Numerical examples with multi-material, multiple spot concentration situations are presented. Numerical results show that the method works well for radiation diffusion equations and can produce numerical solutions of good accuracy. It is also shown that a two-level mesh movement strategy can significantly improve the efficiency of the computation.

  14. An Analysis of a Finite Element Method for Convection-Diffusion Problems. Part II. A Posteriori Error Estimates and Adaptivity.

    DTIC Science & Technology

    1983-03-01

    AN ANALYSIS OF A FINITE ELEMENT METHOD FOR CONVECTION- DIFFUSION PROBLEMS PART II: A POSTERIORI ERROR ESTIMATES AND ADAPTIVITY by W. G. Szymczak Y 6a...PERIOD COVERED AN ANALYSIS OF A FINITE ELEMENT METHOD FOR final life of the contract CONVECTION- DIFFUSION PROBLEM S. Part II: A POSTERIORI ERROR ...Element Method for Convection- Diffusion Problems. Part II: A Posteriori Error Estimates and Adaptivity W. G. Szvmczak and I. Babu~ka# Laboratory for

  15. Numerical solution of a diffusion problem by exponentially fitted finite difference methods.

    PubMed

    D'Ambrosio, Raffaele; Paternoster, Beatrice

    2014-01-01

    This paper is focused on the accurate and efficient solution of partial differential differential equations modelling a diffusion problem by means of exponentially fitted finite difference numerical methods. After constructing and analysing special purpose finite differences for the approximation of second order partial derivatives, we employed them in the numerical solution of a diffusion equation with mixed boundary conditions. Numerical experiments reveal that a special purpose integration, both in space and in time, is more accurate and efficient than that gained by employing a general purpose solver.

  16. A method to simulate viscous diffusion of vorticity by convective transport of vortices at a non-solenoidal velocity

    SciTech Connect

    Kempka, S.N.; Strickland, J.H.

    1993-08-01

    A numerical method to simulate viscous diffusion of vorticity using vortex blobs (i.e., without a grid) is presented. The method consists of casting the effects of viscous diffusion into an effective ``diffusion velocity`` at which vortex blobs convect. The diffusion velocity was proposed previously by Ogami and Akamatsu, but they did not consider the effects of the divergence of the diffusion velocity. In fact, the diffusion velocity is highly non-solenoidal, which significantly affects the area over which a vortex blob diffuses. A formulation is presented that relates the area expansion to the diffusion velocity divergence. By taking into account the area expansion, more accurate simulations of diffusion are obtained, as demonstrated by a comparison of numerical and analytical diffusion solutions. Results from simulations show that vortex areas expand significantly in regions of large vorticity gradients. As a result of the area expansion, adjacent vortices remain overlapped, thereby maintaining smooth solution fields. The non-solenoidal diffusion velocity method is easily implemented in vortex blob algorithms, thus facilitating the development of vortex methods to simulate flows with finite Reynolds numbers.

  17. Nondestructive Method for Mapping Metal Contact Diffusion in In2O3 Thin-Film Transistors

    PubMed Central

    2016-01-01

    The channel width-to-length ratio is an important transistor parameter for integrated circuit design. Contact diffusion into the channel during fabrication or operation alters the channel width and this important parameter. A novel methodology combining atomic force microscopy and scanning Kelvin probe microscopy (SKPM) with self-consistent modeling is developed for the nondestructive detection of contact diffusion on active devices. Scans of the surface potential are modeled using physically based Technology Computer Aided Design (TCAD) simulations when the transistor terminals are grounded and under biased conditions. The simulations also incorporate the tip geometry to investigate its effect on the measurements due to electrostatic tip–sample interactions. The method is particularly useful for semiconductor– and metal–semiconductor interfaces where the potential contrast resulting from dopant diffusion is below that usually detectable with scanning probe microscopy. PMID:27581104

  18. Simulation of gaseous diffusion in partially saturated porous media under variable gravity with lattice Boltzmann methods

    NASA Technical Reports Server (NTRS)

    Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.; Steinberg, S. L. (Principal Investigator)

    2005-01-01

    Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (D rel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in D rel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.

  19. Simulation of gaseous diffusion in partially saturated porous media under variable gravity with lattice Boltzmann methods

    NASA Astrophysics Data System (ADS)

    Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.

    2005-08-01

    Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (Drel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in Drel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.

  20. The Measurement of Polymer Swelling Processes by an Interferometric Method and Evaluation of Diffusion Coefficients

    PubMed Central

    Mráček, Aleš

    2010-01-01

    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. PMID:20386653

  1. Diffuse interface methods for inverse problems: case study for an elliptic Cauchy problem

    NASA Astrophysics Data System (ADS)

    Burger, Martin; Løseth Elvetun, Ole; Schlottbom, Matthias

    2015-12-01

    Many inverse problems have to deal with complex, evolving and often not exactly known geometries, e.g. as domains of forward problems modeled by partial differential equations. This makes it desirable to use methods which are robust with respect to perturbed or not well resolved domains, and which allow for efficient discretizations not resolving any fine detail of those geometries. For forward problems in partial differential equations methods based on diffuse interface representations have gained strong attention in the last years, but so far they have not been considered systematically for inverse problems. In this work we introduce a diffuse domain method as a tool for the solution of variational inverse problems. As a particular example we study ECG inversion in further detail. ECG inversion is a linear inverse source problem with boundary measurements governed by an anisotropic diffusion equation, which naturally cries for solutions under changing geometries, namely the beating heart. We formulate a regularization strategy using Tikhonov regularization and, using standard source conditions, we prove convergence rates. A special property of our approach is that not only operator perturbations are introduced by the diffuse domain method, but more important we have to deal with topologies which depend on a parameter \\varepsilon in the diffuse domain method, i.e. we have to deal with \\varepsilon -dependent forward operators and \\varepsilon -dependent norms. In particular the appropriate function spaces for the unknown and the data depend on \\varepsilon . This prevents the application of some standard convergence techniques for inverse problems, in particular interpreting the perturbations as data errors in the original problem does not yield suitable results. We consequently develop a novel approach based on saddle-point problems. The numerical solution of the problem is discussed as well and results for several computational experiments are reported. In

  2. METHOD FOR REMOVAL OF LIGHT ISOTOPE PRODUCT FROM LIQUID THERMAL DIFFUSION UNITS

    DOEpatents

    Hoffman, J.D.; Ballou, J.K.

    1957-11-19

    A method and apparatus are described for removing the lighter isotope of a gaseous-liquid product from a number of diffusion columns of a liquid thermal diffusion system in two stages by the use of freeze valves. The subject liquid flows from the diffusion columns into a heated sloping capsule where the liquid is vaporized by the action of steam in a heated jacket surrounding the capsule. When the capsule is filled the gas flows into a collector. Flow between the various stages is controlled by freeze valves which are opened and closed by the passage of gas and cool water respectively through coils surrounding portions of the pipes through which the process liquid is passed. The use of the dual stage remover-collector and the freeze valves is an improvement on the thermal diffusion separation process whereby the fraction containing the lighter isotope many be removed from the tops of the diffusion columns without intercolumn flow, or prior stage flow while the contents of the capsule is removed to the final receiver.

  3. A finite volume method for trace element diffusion and partitioning during crystal growth

    NASA Astrophysics Data System (ADS)

    Hesse, Marc A.

    2012-09-01

    A finite volume method on a uniform grid is presented to compute the polythermal diffusion and partitioning of a trace element during the growth of a porphyroblast crystal in a uniform matrix and in linear, cylindrical and spherical geometry. The motion of the crystal-matrix interface and the thermal evolution are prescribed functions of time. The motion of the interface is discretized and it advances from one cell boundary to next as the prescribed interface position passes the cell center. The appropriate conditions for the flux across the crystal-matrix interface are derived from discrete mass conservation. Numerical results are benchmarked against steady and transient analytic solutions for isothermal diffusion with partitioning and growth. Two applications illustrate the ability of the model to reproduce observed rare-earth element patterns in garnets (Skora et al., 2006) and water concentration profiles around spherulites in obsidian (Watkins et al., 2009). Simulations with diffusion inside the growing crystal show complex concentration evolutions for trace elements with high diffusion coefficients, such as argon or hydrogen, but demonstrate that rare-earth element concentrations in typical metamorphic garnets are not affected by intracrystalline diffusion.

  4. A semi-discrete finite element method for a class of time-fractional diffusion equations.

    PubMed

    Sun, HongGuang; Chen, Wen; Sze, K Y

    2013-05-13

    As fractional diffusion equations can describe the early breakthrough and the heavy-tail decay features observed in anomalous transport of contaminants in groundwater and porous soil, they have been commonly used in the related mathematical descriptions. These models usually involve long-time-range computation, which is a critical obstacle for their application; improvement of computational efficiency is of great significance. In this paper, a semi-discrete method is presented for solving a class of time-fractional diffusion equations that overcome the critical long-time-range computation problem. In the procedure, the spatial domain is discretized by the finite element method, which reduces the fractional diffusion equations to approximate fractional relaxation equations. As analytical solutions exist for the latter equations, the burden arising from long-time-range computation can effectively be minimized. To illustrate its efficiency and simplicity, four examples are presented. In addition, the method is used to solve the time-fractional advection-diffusion equation characterizing the bromide transport process in a fractured granite aquifer. The prediction closely agrees with the experimental data, and the heavy-tail decay of the anomalous transport process is well represented.

  5. A quantitative radioluminographic imaging method for evaluating lateral diffusion rates in skin.

    PubMed

    Rush, Allison K; Miller, Matthew A; Smith, Edward D; Kasting, Gerald B

    2015-10-28

    A method is presented for measuring the lateral diffusion coefficients of exogenously applied compounds on excised skin. The method involves sequential high resolution imaging of the spatial distribution of β-radiation associated with [(14)C]-labeled compounds to monitor the development of the concentration profile on the skin surface. It is exemplified by measurements made on three radiolabeled test compounds--caffeine, testosterone, and zinc pyrithione (ZnPT)--administered as solutions. Lateral diffusivity is expected to be an important determinant of the topical bioavailability of ZnPT, which is characteristically administered as a fine suspension and must reach microorganisms in molecular form to exert biocidal activity. Application of the test compounds at levels below and above their estimated saturation doses in the upper stratum corneum allows one to distinguish between diffusion-limited and dissolution rate-limited kinetics. The effective lateral diffusivities of the two chemically stable reference compounds, caffeine and testosterone, were (1-4) × 10(-9) cm(2)/s and (3-9) × 10(-9) cm(2)/s, respectively. Lateral transport of [(14)C] associated with ZnPT was formulation-dependent, with effective diffusivities of (1-2) × 10(-9) cm(2)/s in water and (3-9) × 10(-9) cm(2)/s in a 1% body wash solution. These differences are thought to be related to molecular speciation and/or the presence of a residual surfactant phase on the skin surface. All values were greater than those estimated for the transverse diffusivities of these compounds in stratum corneum by factors ranging from 250 to over 2000. Facile lateral transport on skin, combined with a low transdermal permeation rate, may thus be seen to be a key factor in the safe and effective use of ZnPT as a topical antimicrobial agent.

  6. Analysis of Preconditioning and Relaxation Operators for the Discontinuous Galerkin Method Applied to Diffusion

    NASA Technical Reports Server (NTRS)

    Atkins, H. L.; Shu, Chi-Wang

    2001-01-01

    The explicit stability constraint of the discontinuous Galerkin method applied to the diffusion operator decreases dramatically as the order of the method is increased. Block Jacobi and block Gauss-Seidel preconditioner operators are examined for their effectiveness at accelerating convergence. A Fourier analysis for methods of order 2 through 6 reveals that both preconditioner operators bound the eigenvalues of the discrete spatial operator. Additionally, in one dimension, the eigenvalues are grouped into two or three regions that are invariant with order of the method. Local relaxation methods are constructed that rapidly damp high frequencies for arbitrarily large time step.

  7. An in situ method for real-time monitoring of soil gas diffusivity

    NASA Astrophysics Data System (ADS)

    Laemmel, Thomas; Maier, Martin; Schack-Kirchner, Helmer; Lang, Friederike

    2016-04-01

    Soil aeration is an important factor for the biogeochemistry of soils. Generally, gas exchange between soil and atmosphere is assumed to be governed by molecular diffusion and by this way fluxes can be calculated using by Fick's Law. The soil gas diffusion coefficient DS represents the proportional factor between the gas flux and the gas concentration gradient in the soil and reflects the ability of the soil to "transport passively" gas through the soil. One common way to determine DS is taking core samples in the field and measuring DS in the lab. Unfortunately this method is destructive and laborious and it can only reflect a small fraction of the whole soil. As a consequence, uncertainty about the resulting effective diffusivity on the profile scale, i.e. the real aeration status remains. We developed a method to measure and monitor DS in situ. The set-up consists of a custom made gas sampling device, the continuous injection of an inert tracer gas and inverse gas transport modelling in the soil. The gas sampling device has seven sampling depths (from 0 to -43 cm of depth) and can be easily installed into vertical holes drilled by an auger, which allows for fast installation of the system. Helium (He) as inert tracer gas was injected continuously at the lower end of the device. The resulting steady state distribution of He was used to deduce the DS depth distribution of the soil. For Finite Element Modeling of the gas-sampling-device/soil system the program COMSOL was used. We tested our new method both in the lab and in a field study and compared the results with a reference lab method using soil cores. DS profiles obtained by our in-situ method were consistent with DS profiles determined based on soil core analyses. Soil gas profiles could be measured with a temporal resolution of 30 minutes. During the field study, there was an important rain event and we could monitor the decrease in soil gas diffusivity in the top soil due to water infiltration. The effect

  8. Preconditioned time-difference methods for advection-diffusion-reaction equations

    SciTech Connect

    Aro, C.; Rodrigue, G.; Wolitzer, D.

    1994-12-31

    Explicit time differencing methods for solving differential equations are advantageous in that they are easy to implement on a computer and are intrinsically very parallel. The disadvantage of explicit methods is the severe restrictions placed on stepsize due to stability. Stability bounds for explicit time differencing methods on advection-diffusion-reaction problems are generally quite severe and implicit methods are used instead. The linear systems arising from these implicit methods are large and sparse so that iterative methods must be used to solve them. In this paper the authors develop a methodology for increasing the stability bounds of standard explicit finite differencing methods by combining explicit methods, implicit methods, and iterative methods in a novel way to generate new time-difference schemes, called preconditioned time-difference methods.

  9. Studies of the accuracy of time integration methods for reaction-diffusion equations

    NASA Astrophysics Data System (ADS)

    Ropp, David L.; Shadid, John N.; Ober, Curtis C.

    2004-03-01

    In this study we present numerical experiments of time integration methods applied to systems of reaction-diffusion equations. Our main interest is in evaluating the relative accuracy and asymptotic order of accuracy of the methods on problems which exhibit an approximate balance between the competing component time scales. Nearly balanced systems can produce a significant coupling of the physical mechanisms and introduce a slow dynamical time scale of interest. These problems provide a challenging test for this evaluation and tend to reveal subtle differences between the various methods. The methods we consider include first- and second-order semi-implicit, fully implicit, and operator-splitting techniques. The test problems include a prototype propagating nonlinear reaction-diffusion wave, a non-equilibrium radiation-diffusion system, a Brusselator chemical dynamics system and a blow-up example. In this evaluation we demonstrate a "split personality" for the operator-splitting methods that we consider. While operator-splitting methods often obtain very good accuracy, they can also manifest a serious degradation in accuracy due to stability problems.

  10. Dating of black gel pen ink using the dissolution-diffusion method.

    PubMed

    Li, Biao

    2014-01-01

    In many criminal and civil cases in China, the most commonly questioned documents are those written with gel pen ink. An important task for forensic document examiners is to identify whether two or more ink entries in one or more documents were written with the same ink type. The identification of the age of gel ink entries made poses an important and difficult problem for forensic document examiners. In this paper, a dissolution-diffusion method was successfully employed to estimate the relative age of gel ink entries by comparing dissolution-diffusion rates. Using extensive tests, the mixed solution of dimethyl formamide (DMF) and anhydrous ethanol proved to be a suitable solvent and was used to dissolve the dye of gel ink strokes made at different times. As preliminary findings of this study, calibration curves were created to indicate the relationship between the average dissolution-diffusion rate of soluble gel ink components and the age of gel ink entries stored under natural aging conditions. It was also determined that brands of gel inks, types of paper and thickness of gel ink strokes had varying impacts on estimating the dates of gel ink strokes. Experimental results showed that dissolution-diffusion method was applicable for determining the relative age of gel ink entries under certain conditions.

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

    SciTech Connect

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

    2014-07-21

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

  12. Preconditioned iterative methods for space-time fractional advection-diffusion equations

    NASA Astrophysics Data System (ADS)

    Zhao, Zhi; Jin, Xiao-Qing; Lin, Matthew M.

    2016-08-01

    In this paper, we propose practical numerical methods for solving a class of initial-boundary value problems of space-time fractional advection-diffusion equations. First, we propose an implicit method based on two-sided Grünwald formulae and discuss its stability and consistency. Then, we develop the preconditioned generalized minimal residual (preconditioned GMRES) method and preconditioned conjugate gradient normal residual (preconditioned CGNR) method with easily constructed preconditioners. Importantly, because resulting systems are Toeplitz-like, fast Fourier transform can be applied to significantly reduce the computational cost. We perform numerical experiments to demonstrate the efficiency of our preconditioners, even in cases with variable coefficients.

  13. Quantitative evaluation of registration methods for atlas-based diffuse optical tomography

    NASA Astrophysics Data System (ADS)

    Wu, Xue; Eggebrecht, Adam T.; Culver, Joseph P.; Zhan, Yuxuan; Basevi, Hector; Dehghani, Hamid

    2013-06-01

    In Diffuse Optical Tomography (DOT), an atlas-based model can be used as an alternative to a subject-specific anatomical model for recovery of brain activity. The main step of the generation of atlas-based subject model is the registration of atlas model to the subject head. The accuracy of the DOT then relies on the accuracy of registration method. In this work, 11 registration methods are quantitatively evaluated. The registration method with EEG 10/20 systems with 19 landmarks and non-iterative point to point algorithm provides approximately 1.4 mm surface error and is considered as the most efficient registration method.

  14. Application of numerical methods for diffusion-based modeling of skin permeation.

    PubMed

    Frasch, H Frederick; Barbero, Ana M

    2013-02-01

    The application of numerical methods for mechanistic, diffusion-based modeling of skin permeation is reviewed. Methods considered here are finite difference, method of lines, finite element, finite volume, random walk, cellular automata, and smoothed particle hydrodynamics. First the methods are briefly explained with rudimentary mathematical underpinnings. Current state of the art numerical models are described, and then a chronological overview of published models is provided. Key findings and insights of reviewed models are highlighted. Model results support a primarily transcellular pathway with anisotropic lipid transport. Future endeavors would benefit from a fundamental analysis of drug/vehicle/skin interactions.

  15. An Advanced Integrated Diffusion/Transport Method for the Design, Analysis and Optimization of the Very-High-Temperature Reactors

    SciTech Connect

    Farzad Rahnema; Dingkang Zhang; Abderrafi Ougouag; Frederick Gleicher

    2011-04-04

    The main objective of this research is to develop an integrated diffusion/transport (IDT) method to substantially improve the accuracy of nodal diffusion methods for the design and analysis of Very High Temperature Reactors (VHTR). Because of the presence of control rods in the reflector regions in the Pebble Bed Reactor (PBR-VHTR), traditional nodal diffusion methods do not accurately model these regions, within which diffusion theory breaks down in the vicinity of high neutron absorption and steep flux gradients. The IDT method uses a local transport solver based on a new incident flux response expansion method in the controlled nodes. Diffusion theory is used in the rest of the core. This approach improves the accuracy of the core solution by generating transport solutions of controlled nodes while maintaining computational efficiency by using diffusion solutions in nodes where such a treatment is sufficient. The transport method is initially developed and coupled to the reformulated 3-D nodal diffusion model in the CYNOD code for PBR core design and fuel cycle analysis. This method is also extended to the prismatic VHTR. The new method accurately captures transport effects in highly heterogeneous regions with steep flux gradients. The calculations of these nodes with transport theory avoid errors associated with spatial homogenization commonly used in diffusion methods in reactor core simulators

  16. Krylov single-step implicit integration factor WENO methods for advection-diffusion-reaction equations

    NASA Astrophysics Data System (ADS)

    Jiang, Tian; Zhang, Yong-Tao

    2016-04-01

    Implicit integration factor (IIF) methods were developed in the literature for solving time-dependent stiff partial differential equations (PDEs). Recently, IIF methods were combined with weighted essentially non-oscillatory (WENO) schemes in Jiang and Zhang (2013) [19] to efficiently solve stiff nonlinear advection-diffusion-reaction equations. The methods can be designed for arbitrary order of accuracy. The stiffness of the system is resolved well and the methods are stable by using time step sizes which are just determined by the non-stiff hyperbolic part of the system. To efficiently calculate large matrix exponentials, Krylov subspace approximation is directly applied to the implicit integration factor (IIF) methods. So far, the IIF methods developed in the literature are multistep methods. In this paper, we develop Krylov single-step IIF-WENO methods for solving stiff advection-diffusion-reaction equations. The methods are designed carefully to avoid generating positive exponentials in the matrix exponentials, which is necessary for the stability of the schemes. We analyze the stability and truncation errors of the single-step IIF schemes. Numerical examples of both scalar equations and systems are shown to demonstrate the accuracy, efficiency and robustness of the new methods.

  17. Evaluation of diffusion and dilution methods to determine the antibacterial activity of plant extracts.

    PubMed

    Klancnik, Anja; Piskernik, Sasa; Jersek, Barbara; Mozina, Sonja Smole

    2010-05-01

    The aim of this study was to evaluate diffusion and dilution methods for determining the antibacterial activity of plant extracts and their mixtures. Several methods for measurement of the minimal inhibitory concentration (MIC) of a plant extract are available, but there is no standard procedure as there is for antibiotics. We tested different plant extracts, their mixtures and phenolic acids on selected gram-positive (Staphylococcus aureus, Bacillus cereus, and Listeria monocytogenes) and gram-negative bacteria (Escherichia coli O157:H7, Salmonella Infantis, Campylobacter jejuni, Campylobacter coli) with the disk diffusion, agar dilution, broth microdilution and macrodilution methods. The disk diffusion method was appropriate only as a preliminary screening test prior to quantitative MIC determination with dilution methods. A comparison of the results for MIC obtained by agar dilution and broth microdilution was possible only for gram-positive bacteria, and indicated the latter as the most accurate way of assessing the antimicrobial effect. The microdilution method with TTC (2,3,5-triphenyl tetrazolium chloride) or INT (2-p-iodophenyl-3-p-nitrophenyl-5-phenyl tetrazolium chloride) to indicate the viability of aerobic bacteria was found to be the best alternative approach, while only ATP determination was appropriate for microaerophilic Campylobacter spp. Using survival curves the kinetics of bacterial inactivation on plant extract exposure was followed for 24h and in this way the MIC values determined by the microdilution method were confirmed as the concentrations of extracts that inhibited bacterial growth. We suggest evaluation of the antibacterial activity of plant extracts using the broth microdilution method as a fast screening method for MIC determination and the macrodilution method at selected MIC values to confirm bacterial inactivation. Campylobacter spp. showed a similar sensitivity to plant extracts as the tested gram-positive bacteria, but S

  18. Prediction of Shale Transport Properties Using the Lattice Boltzmann Method: Permeability and Effective Knudsen Diffusivity

    NASA Astrophysics Data System (ADS)

    Kang, Q.; Chen, L.

    2014-12-01

    Although short-term production of unconventional gas depends on the area of contact created by hydraulic fracturing and connections with pre-existing natural fracture networks, sustainable recovery is limited by transfer of gas from nanoporous matrix into the fractures, because the permeability of hydraulic fractures is orders of magnitude higher than that of the shale matrix. Therefore, a fundamental understanding of hydrocarbon mobility in shale matrix is urgently needed for improving recovery efficiencies. Shale transport properties (diffusivity, permeability, and electronic conductivity), which are critical for understanding the fundamental transport mechanisms, are still poorly understood. There have been some studies using experimental techniques such as scanning electron microscopy (SEM) to visualize the nanoscale structures of shale. Due to the ultra-low porosity and permeability, it is difficult to experimentally investigate the fundamental transport processes inside the shale or accurately measure the transport properties. Advanced pore-scale numerical methods, e.g., the lattice Boltzman method (LBM) may provide an alternative approach. In the present study, three-dimensional nanoscale porous structures of shale are reconstructed based on SEM images of shale samples. Characterization analysis of the nanoscale reconstructed shale is performed, including determination of porosity, pore size distribution, specific surface area, and pore connectivity. The LBM flow model and diffusion model are adopted to simulate fluid flow and Knudsen diffusion in the reconstructed shale, respectively. Tortuosity, intrinsic permeability, and effective Knudsen diffusivity are numerically predicted. The tortuosity is much higher than what is commonly employed in Bruggeman equation. Correction of the intrinsic permeability by taking into consideration the contribution of Knudsen diffusion, which leads to the apparent permeability, is performed. The correction factor under

  19. Non-invasive measurements of tissue hemodynamics with hybrid diffuse optical methods

    NASA Astrophysics Data System (ADS)

    Durduran, Turgut

    Diffuse optical techniques were used to measure hemodynamics of tissues non-invasively. Spectroscopy and tomography of the brain, muscle and implanted tumors were carried out in animal models and humans. Two qualitatively different methods, diffuse optical tomography and diffuse correlation tomography, were hybridized permitting simultaneous measurement of total hemoglobin concentration, blood oxygen saturation and blood flow. This combination of information was processed further to derive estimates of oxygen metabolism (e.g. CMRO 2) in tissue. The diffuse correlation measurements of blood flow were demonstrated in human tissues, for the first time, demonstrating continous, non-invasive imaging of oxygen metabolism in large tissue volumes several centimeters below the tissue surface. The bulk of these investigations focussed on cerebral hemodynamics. Extensive validation of this methodology was carried out in in vivo rat brain models. Three dimensional images of deep tissue hemodynamics in middle cerebral artery occlusion and cortical spreading depression (CSD) were obtained. CSD hemodynamics were found to depend strongly on partial pressure of carbon dioxide. The technique was then adapted for measurement of human brain. All optical spectroscopic measurements of CMRO2 during functional activation were obtained through intact human skull non-invasively. Finally, a high spatio-temporal resolution measurement of cerebral blood flow due to somatosensory cortex activation following electrical forepaw stimulation in rats was carried out with laser speckle flowmetry. New analysis methods were introduced for laser speckle flowmetry. In other organs, deep tissue hemodynamics were measured on human calf muscle during exercise and cuff-ischemia and were shown to have some clinical utility for peripheral vascular disease. In mice tumor models, the measured hemodynamics were shown to be predictive of photodynamic therapy efficacy, again suggesting promise of clinical utility

  20. Krylov implicit integration factor WENO methods for semilinear and fully nonlinear advection-diffusion-reaction equations

    NASA Astrophysics Data System (ADS)

    Jiang, Tian; Zhang, Yong-Tao

    2013-11-01

    Implicit integration factor (IIF) methods are originally a class of efficient “exactly linear part” time discretization methods for solving time-dependent partial differential equations (PDEs) with linear high order terms and stiff lower order nonlinear terms. For complex systems (e.g. advection-diffusion-reaction (ADR) systems), the highest order derivative term can be nonlinear, and nonlinear nonstiff terms and nonlinear stiff terms are often mixed together. High order weighted essentially non-oscillatory (WENO) methods are often used to discretize the hyperbolic part in ADR systems. There are two open problems on IIF methods for solving ADR systems: (1) how to obtain higher than the second order global time discretization accuracy; (2) how to design IIF methods for solving fully nonlinear PDEs, i.e., the highest order terms are nonlinear. In this paper, we solve these two problems by developing new Krylov IIF-WENO methods to deal with both semilinear and fully nonlinear advection-diffusion-reaction equations. The methods can be designed for arbitrary order of accuracy. The stiffness of the system is resolved well and the methods are stable by using time step sizes which are just determined by the nonstiff hyperbolic part of the system. Large time step size computations are obtained. We analyze the stability and truncation errors of the schemes. Numerical examples of both scalar equations and systems in two and three spatial dimensions are shown to demonstrate the accuracy, efficiency and robustness of the methods.

  1. A hybrid method for efficient and accurate simulations of diffusion compartment imaging signals

    NASA Astrophysics Data System (ADS)

    Rensonnet, Gaëtan; Jacobs, Damien; Macq, Benoît; Taquet, Maxime

    2015-12-01

    Diffusion-weighted imaging is sensitive to the movement of water molecules through the tissue microstructure and can therefore be used to gain insight into the tissue cellular architecture. While the diffusion signal arising from simple geometrical microstructure is known analytically, it remains unclear what diffusion signal arises from complex microstructural configurations. Such knowledge is important to design optimal acquisition sequences, to understand the limitations of diffusion-weighted imaging and to validate novel models of the brain microstructure. We present a novel framework for the efficient simulation of high-quality DW-MRI signals based on the hybrid combination of exact analytic expressions in simple geometric compartments such as cylinders and spheres and Monte Carlo simulations in more complex geometries. We validate our approach on synthetic arrangements of parallel cylinders representing the geometry of white matter fascicles, by comparing it to complete, all-out Monte Carlo simulations commonly used in the literature. For typical configurations, equal levels of accuracy are obtained with our hybrid method in less than one fifth of the computational time required for Monte Carlo simulations.

  2. Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method

    DOE PAGES

    Trochet, Mickaël; Béland, Laurent Karim; Joly, Jean -François; ...

    2015-06-16

    We study point-defect diffusion in crystalline silicon using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities based on the activation-relaxation technique (ART nouveau), coupled to the standard Stillinger-Weber potential. We focus more particularly on the evolution of crystalline cells with one to four vacancies and one to four interstitials in order to provide a detailed picture of both the atomistic diffusion mechanisms and overall kinetics. We show formation energies, activation barriers for the ground state of all eight systems, and migration barriers for those systems that diffuse. Additionally, we characterize diffusion pathsmore » and special configurations such as dumbbell complex, di-interstitial (IV-pair+2I) superdiffuser, tetrahedral vacancy complex, and more. In conclusion, this study points to an unsuspected dynamical richness even for this apparently simple system that can only be uncovered by exhaustive and systematic approaches such as the kinetic activation-relaxation technique.« less

  3. Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method

    SciTech Connect

    Trochet, Mickaël; Béland, Laurent Karim; Joly, Jean -François; Brommer, Peter; Mousseau, Normand

    2015-06-16

    We study point-defect diffusion in crystalline silicon using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities based on the activation-relaxation technique (ART nouveau), coupled to the standard Stillinger-Weber potential. We focus more particularly on the evolution of crystalline cells with one to four vacancies and one to four interstitials in order to provide a detailed picture of both the atomistic diffusion mechanisms and overall kinetics. We show formation energies, activation barriers for the ground state of all eight systems, and migration barriers for those systems that diffuse. Additionally, we characterize diffusion paths and special configurations such as dumbbell complex, di-interstitial (IV-pair+2I) superdiffuser, tetrahedral vacancy complex, and more. In conclusion, this study points to an unsuspected dynamical richness even for this apparently simple system that can only be uncovered by exhaustive and systematic approaches such as the kinetic activation-relaxation technique.

  4. A hybrid preprocessing method using geometry based diffusion and elective enhancement filtering for pulmonary nodule detection

    NASA Astrophysics Data System (ADS)

    Dhara, Ashis K.; Mukhopadhyay, Sudipta

    2012-03-01

    The computer aided diagnostic (CAD) system has been developed to assist radiologist for early detection and analysis of lung nodules. For pulmonary nodule detection, image preprocessing is required to remove the anatomical structure of lung parenchyma and to enhance the visibility of pulmonary nodules. In this paper a hybrid preprocessing technique using geometry based diffusion and selective enhancement filtering have been proposed. This technique provides a unified preprocessing framework for solid nodule as well as ground glass opacity (GGO) nodules. Geometry based diffusion is applied to smooth the images by preserving the boundary. In order to improve the sensitivity of pulmonary nodule detection, selective enhancement filter is used to highlight blob like structure. But selective enhancement filter sometimes enhances the structures like blood vessel and airways other than nodule and results in large number of false positive. In first step, geometry based diffusion (GBD) is applied for reduction of false positive and in second step, selective enhancement filtering is used for further reduction of false negative. Geometry based diffusion and selective enhancement filtering has been used as preprocessing step separately but their combined effect was not investigated earlier. This hybrid preprocessing approach is suitable for accurate calculation of voxel based features. The proposed method has been validated on one public database named Lung Image Database Consortium (LIDC) containing 50 nodules (30 solid and 20 GGO nodule) from 30 subjects and one private database containing 40 nodules (25 solid and 15 GGO nodule) from 30 subjects.

  5. Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method

    NASA Astrophysics Data System (ADS)

    Trochet, Mickaël; Béland, Laurent Karim; Joly, Jean-François; Brommer, Peter; Mousseau, Normand

    2015-06-01

    We study point-defect diffusion in crystalline silicon using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities based on the activation-relaxation technique (ART nouveau), coupled to the standard Stillinger-Weber potential. We focus more particularly on the evolution of crystalline cells with one to four vacancies and one to four interstitials in order to provide a detailed picture of both the atomistic diffusion mechanisms and overall kinetics. We show formation energies, activation barriers for the ground state of all eight systems, and migration barriers for those systems that diffuse. Additionally, we characterize diffusion paths and special configurations such as dumbbell complex, di-interstitial (IV-pair+2I) superdiffuser, tetrahedral vacancy complex, and more. This study points to an unsuspected dynamical richness even for this apparently simple system that can only be uncovered by exhaustive and systematic approaches such as the kinetic activation-relaxation technique.

  6. A new method for measuring the oxygen diffusion constant and oxygen consumption rate of arteriolar walls.

    PubMed

    Sasaki, Nobuhiko; Horinouchi, Hirohisa; Ushiyama, Akira; Minamitani, Haruyuki

    2012-01-01

    Oxygen transport is believed to primarily occur via capillaries and depends on the oxygen tension gradient between the vessels and tissues. As blood flows along branching arterioles, the O(2) saturation drops, indicating either consumption or diffusion. The blood flow rate, the O(2) concentration gradient, and Krogh's O(2) diffusion constant (K) of the vessel wall are parameters affecting O(2)delivery. We devised a method for evaluating K of arteriolar wall in vivo using phosphorescence quenching microscopy to measure the partial pressure of oxygen in two areas almost simultaneously. The K value of arteriolar wall (inner diameter, 63.5 ± 11.9 μm; wall thickness, 18.0 ± 1.2 μm) was found to be 6.0 ± 1.2 × 10(-11) (cm(2)/s)(ml O(2)·cm(-3) tissue·mmHg(-1)). The arteriolar wall O(2) consumption rate (M) was 1.5 ± 0.1 (ml O(2)·100 cm(-3) tissue·min(-1)), as calculated using Krogh's diffusion equation. These results suggest that the arteriolar wall consumes a considerable proportion of the O(2) that diffuses through it.

  7. Cu diffusion as an alternative method for nanopatterned CuTCNQ film growth

    NASA Astrophysics Data System (ADS)

    Capitán, M. J.; Álvarez, J.; Navío, C.; Miranda, R.

    2016-05-01

    In this paper we show by means of ‘in situ’ x-ray diffraction studies that CuTCNQ formation from Cu(solid)-TCNQ(solid tetracyanoquinodimethane) goes through Cu diffusion at room temperature. The film quality depends on the TCNQ evaporation rate. At low evaporation rate we get a single phase-I CuTCNQ film very well crystallized and well oriented. The film has a CuTCNQ(0 2 0) orientation. The film is formed by CuTCNQ nanorods of a very homogeneous size. The film homogeneity has also been seen by atomic force microscopy (AFM). The electronic properties of the film have been measured by x-ray photoelectron spectroscopy (XPS) and ultra-violet photoelectron spectroscopy (UPS). Thus, the Cu-diffusion method has arisen as a very simple, clean and efficient method to grow localized CuTCNQ nanorods on Cu, opening up new insights for technological applications.

  8. Does diffusion MRI tell us anything about the white matter? An overview of methods and pitfalls

    PubMed Central

    O’Donnell, Lauren J.; Pasternak, Ofer

    2014-01-01

    One key pitfall in diffusion magnetic resonance imaging (dMRI) clinical neuroimaging research is the challenge of understanding and interpreting the results of a complex analysis pipeline. The sophisticated algorithms employed by the analysis software, combined with the relatively non-specific nature of many diffusion measurements, lead to challenges in interpretation of the results. This paper is aimed at an intended audience of clinical researchers who are learning about dMRI or trying to interpret dMRI results, and who may be wondering “Does dMRI tell us anything about the white matter?” We present a critical review of dMRI methods and measures used in clinical neuroimaging research, focusing on the most commonly used analysis methods and the most commonly reported measures. We describe important pitfalls in every section, and provide extensive references for the reader interested in more detail. PMID:25278106

  9. Development of a GIS method to localize critical source areas of diffuse nitrate pollution.

    PubMed

    Orlikowski, D; Bugey, A; Périllon, C; Julich, S; Guégain, C; Soyeux, E; Matzinger, A

    2011-01-01

    The present study aimed at developing a universal method for the localization of critical source areas (CSAs) of diffuse nitrate (NO3-) pollution in rural catchments with low data availability. Based on existing methods, land use, soil, slope, riparian buffer strips and distance to surface waters were identified as the most relevant indicator parameters for diffuse agricultural NO3- pollution. The five parameters were averaged in a GIS-overlay to localize areas with low, medium and high risk of NO3- pollution. A first application of the GIS approach to the Ic catchment in France, showed that identified CSAs were in good agreement with results from river monitoring and numerical modelling. Additionally, the GIS approach showed low sensitivity to single parameters, which makes it robust to varying data availability. As a result, the tested GIS-approach provides a promising, easy-to-use CSA identification concept, applicable for a wide range of rural catchments.

  10. An adaptive tau-leaping method for stochastic simulations of reaction-diffusion systems

    NASA Astrophysics Data System (ADS)

    Padgett, Jill M. A.; Ilie, Silvana

    2016-03-01

    Stochastic modelling is critical for studying many biochemical processes in a cell, in particular when some reacting species have low population numbers. For many such cellular processes the spatial distribution of the molecular species plays a key role. The evolution of spatially heterogeneous biochemical systems with some species in low amounts is accurately described by the mesoscopic model of the Reaction-Diffusion Master Equation. The Inhomogeneous Stochastic Simulation Algorithm provides an exact strategy to numerically solve this model, but it is computationally very expensive on realistic applications. We propose a novel adaptive time-stepping scheme for the tau-leaping method for approximating the solution of the Reaction-Diffusion Master Equation. This technique combines effective strategies for variable time-stepping with path preservation to reduce the computational cost, while maintaining the desired accuracy. The numerical tests on various examples arising in applications show the improved efficiency achieved by the new adaptive method.

  11. Numerical study of the inverse problem for the diffusion-reaction equation using optimization method

    NASA Astrophysics Data System (ADS)

    Soboleva, O. V.; Brizitskii, R. V.

    2016-04-01

    The model of transfer of substance with mixed boundary condition is considered. The inverse extremum problem of identification of the main coefficient in a nonstationary diffusion-reaction equation is formulated. The numerical algorithm based on the Newton-method of nonlinear optimization and finite difference discretization for solving this extremum problem is developed and realized on computer. The results of numerical experiments are discussed.

  12. Effect of Culture Medium on the Disk Diffusion Method for Determining Antifungal Susceptibilities of Dermatophytes

    PubMed Central

    Fernández-Torres, Belkys; Carrillo-Muñoz, Alfonso; Inza, Isabel; Guarro, Josep

    2006-01-01

    We have evaluated a disk diffusion method to determine the activities of five drugs against 50 strains of dermatophytes and to assess the influence of the culture medium (antibiotic medium 3, high-resolution medium, and RPMI) on the inhibition zone diameters (IZD). There were no differences among the medium/drug combinations, except for itraconazole-RPMI, which showed the narrowest IZD. PMID:16723589

  13. A higher order non-polynomial spline method for fractional sub-diffusion problems

    NASA Astrophysics Data System (ADS)

    Li, Xuhao; Wong, Patricia J. Y.

    2017-01-01

    In this paper we shall develop a numerical scheme for a fractional sub-diffusion problem using parametric quintic spline. The solvability, convergence and stability of the scheme will be established and it is shown that the convergence order is higher than some earlier work done. We also present some numerical examples to illustrate the efficiency of the numerical scheme as well as to compare with other methods.

  14. Scaling method for fast Monte Carlo simulation of diffuse reflectance spectra from multilayered turbid media.

    PubMed

    Liu, Quan; Ramanujam, Nirmala

    2007-04-01

    A scaling Monte Carlo method has been developed to calculate diffuse reflectance from multilayered media with a wide range of optical properties in the ultraviolet-visible wavelength range. This multilayered scaling method employs the photon trajectory information generated from a single baseline Monte Carlo simulation of a homogeneous medium to scale the exit distance and exit weight of photons for a new set of optical properties in the multilayered medium. The scaling method is particularly suited to simulating diffuse reflectance spectra or creating a Monte Carlo database to extract optical properties of layered media, both of which are demonstrated in this paper. Particularly, it was found that the root-mean-square error (RMSE) between scaled diffuse reflectance, for which the anisotropy factor and refractive index in the baseline simulation were, respectively, 0.9 and 1.338, and independently simulated diffuse reflectance was less than or equal to 5% for source-detector separations from 200 to 1500 microm when the anisotropy factor of the top layer in a two-layered epithelial tissue model was varied from 0.8 to 0.99; in contrast, the RMSE was always less than 5% for all separations (from 0 to 1500 microm) when the anisotropy factor of the bottom layer was varied from 0.7 to 0.99. When the refractive index of either layer in the two-layered tissue model was varied from 1.3 to 1.4, the RMSE was less than 10%. The scaling method can reduce computation time by more than 2 orders of magnitude compared with independent Monte Carlo simulations.

  15. A variational meshfree method for solving time-discrete diffusion equations

    NASA Astrophysics Data System (ADS)

    Krottje, Johannes K.

    2006-08-01

    A meshfree method is developed for solving time-discrete diffusion equations that arise in models in brain research. Important criteria for a suitable method are flexibility with respect to domain geometry and the ability to work with very small moving sources requiring easy refinement possibilities. One part of the work concerns a meshfree discretization of the modified Helmholtz equation based on the related minimization problem and a local least-squares function approximation. In a second part, a node choosing algorithm is presented that moves around randomly distributed nodes for optimizing the node distribution and varying the node density as needed. The method is illustrated by two numerical tests.

  16. A finite volume method for two-sided fractional diffusion equations on non-uniform meshes

    NASA Astrophysics Data System (ADS)

    Simmons, Alex; Yang, Qianqian; Moroney, Timothy

    2017-04-01

    We derive a finite volume method for two-sided fractional diffusion equations with Riemann-Liouville derivatives in one spatial dimension. The method applies to non-uniform meshes, with arbitrary nodal spacing. The discretisation utilises the integral definition of the fractional derivatives, and we show that it leads to a diagonally dominant matrix representation, and a provably stable numerical scheme. Being a finite volume method, the numerical scheme is fully conservative, and the ability to locally refine the mesh can produce solutions with more accuracy for the same number of nodes compared to a uniform mesh, as we demonstrate numerically.

  17. Impact of the emulsification-diffusion method on the development of pharmaceutical nanoparticles.

    PubMed

    Quintanar-Guerrero, David; Zambrano-Zaragoza, María de la Luz; Gutierrez-Cortez, Elsa; Mendoza-Munoz, Nestor

    2012-12-01

    Nanotechnology is having a profound impact in many scientific fields and it has become one of the most important and exciting discipline. Like all technological advances, nanotechnology has its own scientific basis with a broad interdisciplinary effect. Perhaps, we are witnessing an exponential growth of nanotechnology, reflection of this is the important increase in the number of patents, scientific papers and specialized "nano" meetings and journals. The impact in the pharmaceutical area is related to the use of colloidal drug delivery systems as carriers for bioactive agents, in particular, the nanoparticle technology. The term nanoparticles designates solid submicronic particles formed of acceptable materials (e.g. polymers, lipids, etc.) containing an active substance. It includes both nanospheres (matricial systems) and nanocapsules (membrane systems). The knowledge of the nanoparticle preparation methods is a key issue for the formulator involved with drug-delivery research and development. In general, the methods based on preformed polymers, in particular biodegradable polymers, are preferred due to their easy implementation and lower potential toxicity. One of the most widely used methods to prepare polymeric nanoparticles is emulsification-diffusion. This method has been discussed in some reviews that compile research works but has a small number of patents. In this review, the emulsification-diffusion method is discussed from a technological point of view in order to show the operating conditions and formulation variables from data extracted of recent patents and experimental works. The main idea is to provide the reader with a general guide for formulators to make decisions about the usefulness of this method to develop specific nanoparticulate systems. The first part of this review provides an overview of the emulsification-diffusion method to prepare polymeric nanoparticles, while the second part evaluates the influence of preparative variables on the

  18. Contribution to an effective design method for stationary reaction-diffusion patterns

    SciTech Connect

    Szalai, István; Horváth, Judit; De Kepper, Patrick

    2015-06-15

    The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences.

  19. Contribution to an effective design method for stationary reaction-diffusion patterns

    NASA Astrophysics Data System (ADS)

    Szalai, István; Horváth, Judit; De Kepper, Patrick

    2015-06-01

    The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences.

  20. An improved lattice Boltzmann method for simulating advective-diffusive processes in fluids

    NASA Astrophysics Data System (ADS)

    Aursjø, Olav; Jettestuen, Espen; Vinningland, Jan Ludvig; Hiorth, Aksel

    2017-03-01

    Lattice Boltzmann methods are widely used to simulate advective-diffusive processes in fluids. Lattice Bhatnagar-Gross-Krook methods presented in the literature mostly just exhibit first order spatial accuracy and introduce errors proportional to the velocity squared. Formulations proposed to alleviate this have only been partly successful and are valid only in certain specific situations. We present and demonstrate here a formulation that produces no such second order errors. This formulation suggests that a subtle, but important, adjustment is all it takes to improve the accuracy of the method. The key to the improved accuracy of this new model is the non-standard definition of the concentration that relates to the distribution function describing the advection-diffusion in lattice Boltzmann. The main advantage of the algorithm comes to view when simulating situations where fluid density variations appear. The present formulation of the advection-diffusion algorithm will, by taking into account these fluid density variations, drastically reduce the errors produced compared to the standard formulations. We also show how a source term is included in this new formulation without it losing its second order spatial accuracy.

  1. Method and apparatus for determining minority carrier diffusion length in semiconductors

    DOEpatents

    Goldstein, Bernard; Dresner, Joseph; Szostak, Daniel J.

    1983-07-12

    Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon which has a significantly small minority carrier diffusion length using the constant-magnitude surface-photovoltage (SPV) method. An unmodulated illumination provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV. A vibrating Kelvin method-type probe electrode couples the SPV to a measurement system. The operating optical wavelength of an adjustable monochromator to compensate for the wavelength dependent sensitivity of a photodetector is selected to measure the illumination intensity (photon flux) on the silicon. Measurements of the relative photon flux for a plurality of wavelengths are plotted against the reciprocal of the optical absorption coefficient of the material. A linear plot of the data points is extrapolated to zero intensity. The negative intercept value on the reciprocal optical coefficient axis of the extrapolated linear plot is the diffusion length of the minority carriers.

  2. Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

    NASA Astrophysics Data System (ADS)

    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.

  3. The Ponseti method in Latin America: initial impact and barriers to its diffusion and implementation.

    PubMed

    Boardman, Allison; Jayawardena, Asitha; Oprescu, Florin; Cook, Thomas; Morcuende, Jose A

    2011-01-01

    The Ponseti method for correcting clubfoot is a safe, effective, and minimally invasive treatment that has recently been implemented in Latin America. This study evaluates the initial impact and unique barriers to the diffusion of the Ponseti method throughout this region. Structured interviews were conducted with 30 physicians practicing the Ponseti method in three socioeconomically diverse countries: Chile, Peru and Guatemala. Since learning the Ponseti method, these physicians have treated approximately 1,740 clubfoot patients, with an estimated 1,705 (98%) patients treated using the Ponseti method, and 35 (2%) patients treated using surgical techniques. The barriers were classified into the following themes: physician education, health care system of the country, culture and beliefs of patients, physical distance and transport, financial barriers for patients, and parental compliance with the method. The results yielded several common barriers throughout Latin America including lack of physician education, physical distance to the treatment centers, and financial barriers for patients. Information from this study can be used to inform, and to implement and evaluate specific strategies to improve the diffusion of the Ponseti method for treating clubfoot throughout Latin America.

  4. A deterministic particle method for one-dimensional reaction-diffusion equations

    NASA Technical Reports Server (NTRS)

    Mascagni, Michael

    1995-01-01

    We derive a deterministic particle method for the solution of nonlinear reaction-diffusion equations in one spatial dimension. This deterministic method is an analog of a Monte Carlo method for the solution of these problems that has been previously investigated by the author. The deterministic method leads to the consideration of a system of ordinary differential equations for the positions of suitably defined particles. We then consider the time explicit and implicit methods for this system of ordinary differential equations and we study a Picard and Newton iteration for the solution of the implicit system. Next we solve numerically this system and study the discretization error both analytically and numerically. Numerical computation shows that this deterministic method is automatically adaptive to large gradients in the solution.

  5. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

    SciTech Connect

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-28

    Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.

  6. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

    DOE PAGES

    Chen, Li; Zhang, Lei; Kang, Qinjun; ...

    2015-01-28

    Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

  7. New method for the simultaneous determination of diffusion and adsorption of dyes in silica hydrogels.

    PubMed

    Perullini, Mercedes; Jobbágy, Matías; Japas, María Laura; Bilmes, Sara A

    2014-07-01

    The fine tuning of porosity in sol gel based devices makes possible the design of novel applications in which the transport of molecules through the oxide gel plays a crucial role. In this work we develop a new method for the simultaneous analysis of diffusion and adsorption of small diffusing probes, as anionic and cationic dyes, through silica mesoporous hydrogels synthesized by sol-gel. The novelty of the work resides in the simplicity of acquisition of the experimental data (by means of a desk scanner) and further mathematical modeling, which is in line with high throughput screening procedures, enabling rapid and simultaneous determination of relevant diffusion and adsorption parameters. Net mass transport and adsorption properties of the silica based hydrogels were contrasted to dye adsorption isotherms and textural characterization of the wet gels by SAXS, as well as that of the corresponding aerogels determined by Field Emission Scanning Electron Microscopy (FESEM) and N2 adsorption. Thus, the validation of the results with well-established characterization methods demonstrates that our approach is robust enough to give reliable physicochemical information on these systems.

  8. Automated data selection method to improve robustness of diffuse optical tomography for breast cancer imaging

    PubMed Central

    Vavadi, Hamed; Zhu, Quing

    2016-01-01

    Imaging-guided near infrared diffuse optical tomography (DOT) has demonstrated a great potential as an adjunct modality for differentiation of malignant and benign breast lesions and for monitoring treatment response of breast cancers. However, diffused light measurements are sensitive to artifacts caused by outliers and errors in measurements due to probe-tissue coupling, patient and probe motions, and tissue heterogeneity. In general, pre-processing of the measurements is needed by experienced users to manually remove these outliers and therefore reduce imaging artifacts. An automated method of outlier removal, data selection, and filtering for diffuse optical tomography is introduced in this manuscript. This method consists of multiple steps to first combine several data sets collected from the same patient at contralateral normal breast and form a single robust reference data set using statistical tests and linear fitting of the measurements. The second step improves the perturbation measurements by filtering out outliers from the lesion site measurements using model based analysis. The results of 20 malignant and benign cases show similar performance between manual data processing and automated processing and improvement in tissue characterization of malignant to benign ratio by about 27%. PMID:27867711

  9. Generalized monotone method and numerical approach for coupled reaction diffusion systems

    NASA Astrophysics Data System (ADS)

    Sowmya, M.; Vatsala, Aghalaya S.

    2017-01-01

    Study of coupled reaction diffusion systems are very useful in various branches of science and engineering. In this paper, we provide a methodology to construct the solution for the coupled reaction diffusion systems, with initial and boundary conditions, where the forcing function is the sum of an increasing and decreasing function. It is known that the generalized monotone method coupled with coupled lower and upper solutions yield monotone sequences which converges uniformly and monotonically to coupled minimal and maximal solutions. In addition, the interval of existence is guaranteed by the lower and upper solutions, which are relatively easy to compute. Using the lower and upper solutions as the initial approximation, we develop a method to compute the sequence of coupled lower and upper solutions on the interval or on the desired interval of existence. Further, if the uniqueness conditions are satisfied, the coupled minimal and maximal solutions converge to the unique solution of the reaction diffusion systems. We will provide some numerical results as an application of our numerical methodology.

  10. Improved diffusion methods for nitrogen and 15nitrogen analysis of Kjeldahl digests.

    PubMed

    Stevens, W B; Mulvaney, R L; Khan, S A; Hoeft, R G

    2000-01-01

    Simple methods are described that permit the use of either H3BO3 indicator solution or acidified filter disks to collect NH3 liberated by treatment of Kjeldahl digests with NaOH. These methods incorporate modifications to improve reliability, analytical capacity, and convenience. A semimicro digest was diluted to 25 mL with deionized water, and a 10 mL aliquot, containing up to 4 mg N (150 microg N for diffusions into acidified disks), was transferred to a shell vial, which was placed inside a 473 mL (1 pint) Mason jar containing 10 mL 10N NaOH. The NH3 liberated by overturning the vial was collected after 12 to 48 h at ambient temperature, or after 4 h at 45 to 50 degrees C on a hotplate, for quantitative and/or isotope-ratio analyses. With either H3BO3 indicator solution or acidified filter disks, recovery of diffused N was quantitative. Isotope-ratio analyses of diffused N from 15N-labeled chemical, plant, and soil samples were within 3% of analyses using steam distillation.

  11. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity

    PubMed Central

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-01

    Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed. PMID:25627247

  12. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity.

    PubMed

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S; Yao, Jun; Tao, Wenquan

    2015-01-28

    Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.

  13. Fixed and pulsed gradient diffusion methods in low-field core analysis.

    PubMed

    Leu, Gabriela; Fordham, Edmund J; Hürlimann, Martin D; Frulla, Phil

    2005-02-01

    We review diffusion-weighted relaxation protocols for two-dimensional diffusion/relaxation time (D, T(2)) distributions and their application to fluid-saturated sedimentary rocks at low fields typical of oil-well logging tools (< or = 2 MHz for 1H). Fixed field gradient (FFG) protocols may be implemented in logging tools and in the laboratory; there, pulsed field gradient (PFG) protocols are also available. In either category, direct or stimulated echoes may be used for the diffusion evolution periods. We compare the results of several variant FFG and PFG protocols obtained on liquids and two contrasting sedimentary rocks. For liquids and rocks of negligible internal gradients (g(int)), results are comparable, as expected, for all the studied protocols. For rocks of strong g(int), protocol-dependent artifacts are seen in the joint (D, T2) distributions, consistent with the effects of the internal fields. For laboratory petrophysics, the PFG methods offer several advantages: (a) significantly improved signal-to-noise ratio and acquisition times for repetitions over many samples; (b) freedom from heteronuclear contamination when fluorinated liquids are used in core holders; and (c) a palette of variants--one comparable with the FFG--for the study of rocks of significant g(int). Given suitable hardware, both PFG and FFG methods can be implemented in the same bench-top apparatus, providing a versatile test bed for application in a petrophysical laboratory.

  14. Direct estimation of diffuse gaseous emissions from coal fires: current methods and future directions

    USGS Publications Warehouse

    Engle, Mark A.; Olea, Ricardo A.; O'Keefe, Jennifer M. K.; Hower, James C.; Geboy, Nicholas J.

    2013-01-01

    Coal fires occur in nature spontaneously, contribute to increases in greenhouse gases, and emit atmospheric toxicants. Increasing interest in quantifying coal fire emissions has resulted in the adaptation and development of specialized approaches and adoption of numerical modeling techniques. Overview of these methods for direct estimation of diffuse gas emissions from coal fires is presented in this paper. Here we take advantage of stochastic Gaussian simulation to interpolate CO2 fluxes measured using a dynamic closed chamber at the Ruth Mullins coal fire in Perry County, Kentucky. This approach allows for preparing a map of diffuse gas emissions, one of the two primary ways that gases emanate from coal fires, and establishing the reliability of the study both locally and for the entire fire. Future research directions include continuous and automated sampling to improve quantification of gaseous coal fire emissions.

  15. Dating of iron gall ink using the dissolution-diffusion method.

    PubMed

    Li, Biao; Xie, Peng

    2015-03-01

    In many criminal and civil cases, some questioned documents are written with iron gall ink. Determining the date when an iron gall ink entry was written can be important to assess the authenticity of a document. A dissolution-diffusion method was successfully employed to draw aging curves of iron gall ink entries stored in controlled conditions over 40 months. Calibration curves were created to indicate the relationship between the average dissolution-diffusion rate of ink components and the age of ink entries stored under natural aging conditions. As preliminary findings of this study, the mixed solution of dimethyl formamide (DMF) and anhydrous ethanol was suitable to dissolve the dye of iron gall ink strokes made at different time. It was also determined that brands of iron gall inks, types of paper, and thickness of iron gall ink strokes had varying impacts on estimating the dates of iron gall ink strokes.

  16. Spatially adaptive stochastic numerical methods for intrinsic fluctuations in reaction-diffusion systems

    SciTech Connect

    Atzberger, Paul J.

    2010-05-01

    Stochastic partial differential equations are introduced for the continuum concentration fields of reaction-diffusion systems. The stochastic partial differential equations account for fluctuations arising from the finite number of molecules which diffusively migrate and react. Spatially adaptive stochastic numerical methods are developed for approximation of the stochastic partial differential equations. The methods allow for adaptive meshes with multiple levels of resolution, Neumann and Dirichlet boundary conditions, and domains having geometries with curved boundaries. A key issue addressed by the methods is the formulation of consistent discretizations for the stochastic driving fields at coarse-refined interfaces of the mesh and at boundaries. Methods are also introduced for the efficient generation of the required stochastic driving fields on such meshes. As a demonstration of the methods, investigations are made of the role of fluctuations in a biological model for microorganism direction sensing based on concentration gradients. Also investigated, a mechanism for spatial pattern formation induced by fluctuations. The discretization approaches introduced for SPDEs have the potential to be widely applicable in the development of numerical methods for the study of spatially extended stochastic systems.

  17. Semi-analytical method for solving nonlinear heat diffusion problems in spherical medium

    NASA Astrophysics Data System (ADS)

    Abd-El-Malek, Mina B.; Helal, Medhat M.

    2006-08-01

    A semi-analytical methodology, based on the finite integral transform technique, is proposed to solve the heat diffusion problem in a spherical medium subject to nonlinear boundary conditions due to radiation exchange at the interface according to the fourth power law. The method proceeds by treating the nonlinearity term in the boundary condition as a source in the differential equation and keeping other conditions unchanged. The results obtained from this semi-analytical solutions are compared with those obtained from a numerical solution developed using an explicit finite difference method, which showed very good agreement.

  18. A transient divided-bar method for simultaneous measurements of thermal conductivity and thermal diffusivity

    NASA Astrophysics Data System (ADS)

    Bording, Thue S.; Nielsen, Søren B.; Balling, Niels

    2016-04-01

    Accurate information on thermal conductivity and thermal diffusivity of materials is of central importance in relation to geoscience and engineering problems involving the transfer of heat. Within the geosciences, this applies to all aspects regarding the determination of terrestrial heat flow and subsurface temperature modelling. Several methods, including the classical divided-bar technique, are available for laboratory measurements of thermal conductivity, and much fewer for thermal diffusivity. We have generalized the divided-bar technique to the transient case, in which thermal conductivity and volumetric heat capacity, and thereby also thermal diffusivity, are measured simultaneously. As the density of samples is easily determined independently, specific heat capacity may also be determined. Finite element formulation provides a flexible forward solution for heat transfer across the bar and thermal properties are estimated by inverse Monte Carlo modelling. This methodology enables a proper quantification of experimental uncertainties on measured thermal properties. The developed methodology was applied to laboratory measurements of various materials, including a standard ceramic material and different rock samples, and measuring results were compared with results applying traditional steady-state divided-bar and an independent line-source method. All measurements show highly consistent results and with excellent reproducibility and high accuracy. For conductivity, uncertainty is typically 1-3 %, and for diffusivity uncertainty may be reduced to about 3-5 %. The main uncertainty originates from the presence of thermal contact resistance associated with the internal interfaces of the bar. They are not resolved during inversion, and it is highly important that they are minimized by careful sample preparation.

  19. A tracer-based inversion method for diagnosing eddy-induced diffusivity and advection

    NASA Astrophysics Data System (ADS)

    Bachman, S. D.; Fox-Kemper, B.; Bryan, F. O.

    2015-02-01

    A diagnosis method is presented which inverts a set of tracer flux statistics into an eddy-induced transport intended to apply for all tracers. The underlying assumption is that a linear flux-gradient relationship describes eddy-induced tracer transport, but a full tensor coefficient is assumed rather than a scalar coefficient which allows for down-gradient and skew transports. Thus, Lagrangian advection and anisotropic diffusion not necessarily aligned with the tracer gradient can be diagnosed. In this method, multiple passive tracers are initialized in an eddy-resolving flow simulation. Their spatially-averaged gradients form a matrix, where the gradient of each tracer is assumed to satisfy an identical flux-gradient relationship. The resulting linear system, which is overdetermined when using more than three tracers, is then solved to obtain an eddy transport tensor R which describes the eddy advection (antisymmetric part of R) and potentially anisotropic diffusion (symmetric part of R) in terms of coarse-grained variables. The mathematical basis for this inversion method is presented here, along with practical guidelines for its implementation. We present recommendations for initialization of the passive tracers, maintaining the required misalignment of the tracer gradients, correcting for nonconservative effects, and quantifying the error in the diagnosed transport tensor. A method is proposed to find unique, tracer-independent, distinct rotational and divergent Lagrangian transport operators, but the results indicate that these operators are not meaningfully relatable to tracer-independent eddy advection or diffusion. With the optimal method of diagnosis, the diagnosed transport tensor is capable of predicting the fluxes of other tracers that are withheld from the diagnosis, including even active tracers such as buoyancy, such that relative errors of 14% or less are found.

  20. Characterizing magnetic resonance signal decay due to Gaussian diffusion: the path integral approach and a convenient computational method

    PubMed Central

    Özarslan, Evren; Westin, Carl-Fredrik; Mareci, Thomas H.

    2016-01-01

    The influence of Gaussian diffusion on the magnetic resonance signal is determined by the apparent diffusion coefficient (ADC) and tensor (ADT) of the diffusing fluid as well as the gradient waveform applied to sensitize the signal to diffusion. Estimations of ADC and ADT from diffusion-weighted acquisitions necessitate computations of, respectively, the b-value and b-matrix associated with the employed pulse sequence. We establish the relationship between these quantities and the gradient waveform by expressing the problem as a path integral and explicitly evaluating it. Further, we show that these important quantities can be conveniently computed for any gradient waveform using a simple algorithm that requires a few lines of code. With this representation, our technique complements the multiple correlation function (MCF) method commonly used to compute the effects of restricted diffusion, and provides a consistent and convenient framework for studies that aim to infer the microstructural features of the specimen. PMID:27182208

  1. Numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory

    NASA Technical Reports Server (NTRS)

    Ramos, J. I.

    1987-01-01

    A review of numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory is presented. The methods reviewed include explicit, implicit, quasi-linearization, time linearization, operator-splitting, random walk and finite-element techniques and methods of lines. Adaptive and nonadaptive procedures are also reviewed. These techniques are applied first to solve two model problems which have exact traveling wave solutions with which the numerical results can be compared. This comparison is performed in terms of both the wave profile and computed wave speed. It is shown that the computed wave speed is not a good indicator of the accuracy of a particular method. A fourth-order time-linearized, Hermitian compact operator technique is found to be the most accurate method for a variety of time and space sizes.

  2. Studies on Aspirin Crystals Generated by a Modified Vapor Diffusion Method.

    PubMed

    Mittal, Amit; Malhotra, Deepak; Jain, Preeti; Kalia, Anupama; Shunmugaperumal, Tamilvanan

    2016-08-01

    The objectives of the current investigation were (1) to study the influence of selected two different non-solvents (diethylether and dichloromethane) on the drug crystal formation of a model drug, aspirin (ASP-I) by the modified vapor diffusion method and (2) to characterize and compare the generated crystals (ASP-II and ASP-III) using different analytical techniques with that of unprocessed ASP-I. When compared to the classical vapor diffusion method which consumes about 15 days to generate drug crystals, the modified method needs only 12 h to get the same. Fourier transform-infrared spectroscopy (FT-IR) reveals that the internal structures of ASP-II and ASP-III crystals were identical when compared with ASP-I. Although the drug crystals showed a close similarity in X-ray diffraction patterns, the difference in the relative intensities of some of the diffraction peaks (especially at 2θ values of around 7.7 and 15.5) could be attributed to the crystal habit or crystal size modification. Similarly, the differential scanning calorimetry (DSC) study speculates that only the crystal habit modifications might occur but without involving any change in internal structure of the generated drug polymorphic form I. This is further substantiated from the scanning electron microscopy (SEM) pictures that indicated the formation of platy shape for the ASP-II crystals and needle shape for the ASP-III crystals. In addition, the observed slow dissolution of ASP crystals should indicate polymorph form I formation. Thus, the modified vapor diffusion method could routinely be used to screen and legally secure all possible forms of other drug entities too.

  3. Order-N electron transport calculation from ballistic to diffusive regimes by time-dependent wave-packet diffusion method -Application to carbon nanotubes-

    NASA Astrophysics Data System (ADS)

    Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

    2010-03-01

    Using a time-dependent wave-packet diffusion method[1], which treats the quantum electron transport problems of huge systems of up to 80 million atoms, combining with molecular dynamics simulations, we study the electron transport of carbon nanotubes from ballistic to diffusive regimes from an atomistic viewpoint in the unified way. We can simulate the effects of electron- phonon couplings on the transport properties of the nanotubes at various temperatures. We confirm that the obtained mean free path and mobility agree well with recent experimental observations and theoretical calculations, and succeed in evaluating the resistance in entire regime between ballistic and diffusive transport limits. We clarify the resistance is remarkably different from that at the two transport limits, when the length of nanotubes is comparable to the mean free path. [1]H.Ishii, N.Kobayashi, and K.Hirose, Appl.Phys.Express 1(2008) 123002.

  4. A comparative study of an in situ adapted diffusion cell and an in vitro Franz diffusion cell method for transdermal absorption of doxylamine.

    PubMed

    Venter, J P; Müller, D G; du Plessis, J; Goosen, C

    2001-05-01

    In order to determine whether a drug shows the potential for percutaneous absorption, both in situ and in vitro studies are used. In vitro studies are good indicators of transdermal drug delivery, but the possibility exists that anatomical changes in excised skin can influence drug delivery. The aim of this study was to compare the in vitro Franz diffusion cell method with an in situ adapted diffusion cell method. A saturated aqueous solution of doxylamine succinate was used as model drug and the receptor phase was an isotonic Sörensen buffered solution. The in vitro permeation studies were conducted using vertical Franz diffusion cells with nude mice skin. For in situ studies, a diffusion cell was implanted under the dorsal skin of a nude mouse, simulating the in vitro method. Both in situ and in vitro experiments were conducted over a period of 12 h during which samples were collected every 90 min. The mean steady-state flux from Franz diffusion cells was 0.164+/-0.045 microg/cm2/h and flux determined by the in situ method was 0.113+/-0.034 microg/cm2/h. A statistical significant difference existed between the permeation results of the in vitro and in situ experimental methods. A subjective, semi-quantitative assessment of histological changes to excised nude mouse skin was done using light microscopy. This showed that excised skin undergoes sub-lethal injury (necrosis) during in vitro experiments, which may lead to increased permeability of the drug. It was noticed that in vitro and in situ permeation results showed very close correlation until approximately 4.5 h after commencement of experiments, after which, the permeation through excised skin increased. It was assumed that cell necrosis occurred to such an extent after approximately 4.5 h, that the barrier function of the stratum corneum decreased and permeation of the drug increased.

  5. A method to analyze the diffuse gamma-ray emission with the Fermi Large Area Telescope

    SciTech Connect

    Ackermann, Markus; Johannesson, Gueolaugur; Digel, Seth; Moskalenko, Igor V.; Reimer, Olaf; Porter, Troy; Strong, Andrew

    2008-12-24

    The Fermi Gamma-Ray Space Telescope with its main instrument the LAT is the most sensitive {gamma}-ray telescope in the energy region between 30 MeV and 100 GeV. One of the prime scientific goals of this mission is the measurement and interpretation of the diffuse Galactic and extragalactic {gamma}-ray emission. While not limited by photon statistics, this analysis presents several challenges: Instrumental response functions, residual background from cosmic rays as well as resolved and unresolved foreground {gamma}-ray sources have to be taken carefully into account in the interpretation of the data. Detailed modeling of the diffuse {gamma}-ray emission is being performed and will form the basis of the investigations. We present the analysis approach to be applied to the Fermi LAT data, namely the modeling of the diffuse emission components and the background contributions, followed by an all-sky maximum-likelihood fitting procedure. We also report on the performance of this method evaluated in tests on simulated Fermi LAT and real EGRET data.

  6. Supersaturation patterns in counter-diffusion crystallisation methods followed by Mach Zehnder interferometry

    NASA Astrophysics Data System (ADS)

    García-Ruiz, J. M.; Novella, M. L.; Otálora, F.

    1999-01-01

    We present experimental observation of the spatio-temporal pattern of supersaturation in counter-diffusion methods. These complex patterns were recorded by dynamical interferometric analysis using a Mach-Zehnder configuration. Tetragonal hen egg white lysozyme crystals were grown inside APCF (advanced protein crystallisation facility) reactors. Salt and protein diffusion profiles were obtained independently by performing duplicated experiments with and without protein in the protein chamber; salt gradients were observed directly while protein concentration profiles are computed from the differences in refractive index between the two experiments. As expected from computer simulations, the time evolution of supersaturation shows a maximum about 45 h after activation (although this value can change as a function of the starting conditions and the geometry of the reactor). Nucleation takes place before this maximum supersaturation is reached. This explains the trend of the growth rate versus time curves for experiments performed within APCF reactors (both on ground and in space) and in capillaries by the gel acupuncture technique. By using very low concentration agarose gel in the protein chamber, sedimentation and buoyancy effects are eliminated so that the effects of gravity on fluid dynamics and hence on the spatio-temporal evolution of supersaturation can be assessed. These results confirm experimentally the predicted behaviour of counter-diffusion systems and support their use in growing large high-quality protein single crystals.

  7. Spatial cross modulation method using a random diffuser and phase-only spatial light modulator for constructing arbitrary complex fields.

    PubMed

    Shibukawa, Atsushi; Okamoto, Atsushi; Takabayashi, Masanori; Tomita, Akihisa

    2014-02-24

    We propose a spatial cross modulation method using a random diffuser and a phase-only spatial light modulator (SLM), by which arbitrary complex-amplitude fields can be generated with higher spatial resolution and diffraction efficiency than off-axis and double-phase computer-generated holograms. Our method encodes the original complex object as a phase-only diffusion image by scattering the complex object using a random diffuser. In addition, all incoming light to the SLM is consumed for a single diffraction order, making a diffraction efficiency of more than 90% possible. This method can be applied for holographic data storage, three-dimensional displays, and other such applications.

  8. Nuclemeter: A Reaction-Diffusion Based Method for Quantifying Nucleic Acids Undergoing Enzymatic Amplification

    PubMed Central

    Liu, Changchun; Sadik, Mohamed M.; Mauk, Michael G.; Edelstein, Paul H.; Bushman, Frederic D.; Gross, Robert; Bau, Haim H.

    2014-01-01

    Real-time amplification and quantification of specific nucleic acid sequences plays a major role in medical and biotechnological applications. In the case of infectious diseases, such as HIV, quantification of the pathogen-load in patient specimens is critical to assess disease progression and effectiveness of drug therapy. Typically, nucleic acid quantification requires expensive instruments, such as real-time PCR machines, which are not appropriate for on-site use and for low-resource settings. This paper describes a simple, low-cost, reaction-diffusion based method for end-point quantification of target nucleic acids undergoing enzymatic amplification. The number of target molecules is inferred from the position of the reaction-diffusion front, analogous to reading temperature in a mercury thermometer. The method was tested for HIV viral load monitoring and performed on par with conventional benchtop methods. The proposed method is suitable for nucleic acid quantification at point of care, compatible with multiplexing and high-throughput processing, and can function instrument-free. PMID:25477046

  9. A fast collocation method for a variable-coefficient nonlocal diffusion model

    NASA Astrophysics Data System (ADS)

    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.

  10. Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation

    NASA Astrophysics Data System (ADS)

    Jamelot, Erell; Ciarlet, Patrick

    2013-05-01

    Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart-Thomas-Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code. APOLLO3 is a registered trademark in France.

  11. A diffuse-interface method for two-phase flows with soluble surfactants

    PubMed Central

    Teigen, Knut Erik; Song, Peng; Lowengrub, John; Voigt, Axel

    2010-01-01

    A method is presented to solve two-phase problems involving soluble surfactants. The incompressible Navier–Stokes equations are solved along with equations for the bulk and interfacial surfactant concentrations. A non-linear equation of state is used to relate the surface tension to the interfacial surfactant concentration. The method is based on the use of a diffuse interface, which allows a simple implementation using standard finite difference or finite element techniques. Here, finite difference methods on a block-structured adaptive grid are used, and the resulting equations are solved using a non-linear multigrid method. Results are presented for a drop in shear flow in both 2D and 3D, and the effect of solubility is discussed. PMID:21218125

  12. A method for the estimate of the wall diffusion for non-axisymmetric fields using rotating external fields

    NASA Astrophysics Data System (ADS)

    Frassinetti, L.; Olofsson, K. E. J.; Fridström, R.; Setiadi, A. C.; Brunsell, P. R.; Volpe, F. A.; Drake, J.

    2013-08-01

    A new method for the estimate of the wall diffusion time of non-axisymmetric fields is developed. The method based on rotating external fields and on the measurement of the wall frequency response is developed and tested in EXTRAP T2R. The method allows the experimental estimate of the wall diffusion time for each Fourier harmonic and the estimate of the wall diffusion toroidal asymmetries. The method intrinsically considers the effects of three-dimensional structures and of the shell gaps. Far from the gaps, experimental results are in good agreement with the diffusion time estimated with a simple cylindrical model that assumes a homogeneous wall. The method is also applied with non-standard configurations of the coil array, in order to mimic tokamak-relevant settings with a partial wall coverage and active coils of large toroidal extent. The comparison with the full coverage results shows good agreement if the effects of the relevant sidebands are considered.

  13. An adaptive streamline diffusion finite element method for hyperbolic systems in gas dynamics

    NASA Astrophysics Data System (ADS)

    Zhou, Guohui

    1992-09-01

    The paintwise error analysis of the streamline diffusion method for two dimensional stationary problem with constant coefficients is extended to the time dependent problem. The purpose of the study is to justify a local mesh refinement strategy. The one dimensional Euler equations coming from the shock tube and Riemann's problem in gas dynamics are used. The gas is assumed to be at rest on both sides of the membrane, with pressure and density different on each side. The case where the problem is scalar and linear is discussed. Linear systems of hyperbolic type in one space variable and nonlinear scalar problems are studied.

  14. Sinc-Chebyshev Collocation Method for a Class of Fractional Diffusion-Wave Equations

    PubMed Central

    Mao, Zhi; Xiao, Aiguo; Yu, Zuguo; Shi, Long

    2014-01-01

    This paper is devoted to investigating the numerical solution for a class of fractional diffusion-wave equations with a variable coefficient where the fractional derivatives are described in the Caputo sense. The approach is based on the collocation technique where the shifted Chebyshev polynomials in time and the sinc functions in space are utilized, respectively. The problem is reduced to the solution of a system of linear algebraic equations. Through the numerical example, the procedure is tested and the efficiency of the proposed method is confirmed. PMID:24977177

  15. Diffusion length and grain boundary recombination activity determination by means of induced current methods

    NASA Astrophysics Data System (ADS)

    Shabelnikova, Yana; Yakimov, Eugene

    2016-11-01

    The application of induced current methods for a quantitative description of multicrystalline silicon solar cell properties is demonstrated. For the minority carriers' diffusion length (L) and grain boundary recombination velocity (Vs) determination three types of measurements were used. They included the measurement of EBIC signal dependence on electron beam energy and of EBIC and XBIC grain boundary contrast profiles. The L and Vs values obtained by means of minimization the residual function between measured and model induced current curves are presented. The inaccuracy of obtained parameters is discussed for each of three types of measurements.

  16. Improved Quasi-Static Method: IQS Method Implementation for CFEM Diffusion in Rattlesnake

    SciTech Connect

    Prince, Zachary M.; Ragusa, Jean C.; Wang, Yaqi

    2016-02-29

    The improved quasi-static (IQS) method is a transient spatial kinetics method that involves factorizing flux into space- and time-dependent components. These components include the flux’s power and shape. Power is time-dependent, while the shape is both space- and time-dependent. However, the impetus of the method is the assumption that the shape is only weakly dependent on time; therefore, the shape may not require computation at every time step, invoking the quasi-static nature. This paper describes the implementation and testing of IQS as an alternative kinetics solver within Rattlesnake to provide improved time performance with minimal reduction in accuracy.

  17. Modification of flow and compressibility of corn starch using quasi-emulsion solvent diffusion method

    PubMed Central

    Akhgari, Abbas; Sadeghi, Hasti; Dabbagh, Mohammad Ali

    2014-01-01

    Objective(s): The aim of this study was to improve flowability and compressibility characteristics of starch to use as a suitable excipient in direct compression tabletting. Quasi-emulsion solvent diffusion was used as a crystal modification method. Materials and Methods: Corn starch was dissolved in hydrochloric acid at 80°C and then ethanol as a non-solvent was added with lowering temperature until the formation of a precipitate of modified starch. Flow parameters, particle size and thermal behavior of the treated powders were compared with the native starch. Finally, the 1:1 mixture of naproxen and each excipient was tabletted, and hardness and friability of different tablets were evaluated. Results: Larger and well shaped agglomerates were formed which showed different thermal behavior. Treated starch exhibited suitable flow properties and tablets made by the treated powder had relatively high hardness. Conclusion: It was found that recrystallization of corn starch by quasi emulsion solvent diffusion method could improve its flowability and compressibility characteristics. PMID:25422746

  18. Synthesis of metal-organic framework films by pore diffusion method

    NASA Astrophysics Data System (ADS)

    Murayama, Naohiro; Nishimura, Yuki; Kajiro, Hiroshi; Kishida, Satoru; Kinoshita, Kentaro; Tottori Univ Team; Nippon Steel; Sumitomo Metal Co. Collaboration; Tottori Integrated Frontier Resaerch Center (Tifrec) Collaboration; Tottori University Electronic Display Resaerch Center (Tedrec) Collaboration

    Metal-organic frameworks (MOFs) presents high controllability in designing the nano-scale pore, and this enable molecular storages, catalysts, gas sensors, gas separation membranes, and electronic devices for next-generation. Therefore, a simple method for film synthesis of MOFs compared with conventional methods [1] is strongly required. In this paper, we provide pore diffusion method, in which a substrate containing constituent metals of MOF is inserted in solution that includes only linker molecules of MOF. As a result, 2D growth of MOF was effectively enhanced, and the formation of flat and dense MOF films was attained. The growth time, t, dependence of film thickness, d, can be expressed by the relation of d = Aln(t + 1) + B, where A and B are constants. It means that ionized coppers diffuse through the pores of MOFs and the synthesis reaction proceeds at the MOF/solvent interface. We demonstrated the fabrication of a HKUST-1/Cu-TPA hetero structure by synthesizing a Cu-TPA film continuously after the growth of a HKUST-1 film on the CuOx substrate.

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

    PubMed

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

    2015-10-20

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

  20. The concentration and pH dependent diffusion of 137Cs in compacted bentonite by using capillary method

    NASA Astrophysics Data System (ADS)

    Wang, Xiangke; Tan, Xiaoli; Chen, Changlun; Chen, Lei

    2005-10-01

    The 'in-diffusion' method was used to study the diffusion behavior of radionuclide 137Cs in compacted bentonite using a capillary. The results (distribution coefficient, Kd, apparent and effective diffusion coefficients, Da and De) derived from the capillary method are in good agreement with the literature data, and fit the Fick's second law very well. The experiments were carried out at 3.3 × 10-3 and 3.3 × 10-5mol/l cesium, pH 3-12, ionic strength 0.1 M NaClO4, and at room temperature. The results suggest that the diffusion of cesium in compacted bentonite is dependent on solution concentrations and pH values. In agreement with the literatures, the Kd values derived from the capillary experiments are in most cases lower than those derived from batch experiments: the Kd values are about one-half to one-third the values of those from batch experiments. The interlaminary space plays a very important role to the sorption, diffusion and transport of Cs+ in compacted bentonite. The effective diffusion coefficient is higher than that of other nuclides in compacted bentonite, and the diffusion of cesium in compacted bentonite may be dominated by the surface diffusion.

  1. An ADI extrapolated Crank-Nicolson orthogonal spline collocation method for nonlinear reaction-diffusion systems

    NASA Astrophysics Data System (ADS)

    Fernandes, Ryan I.; Fairweather, Graeme

    2012-08-01

    An alternating direction implicit (ADI) orthogonal spline collocation (OSC) method is described for the approximate solution of a class of nonlinear reaction-diffusion systems. Its efficacy is demonstrated on the solution of well-known examples of such systems, specifically the Brusselator, Gray-Scott, Gierer-Meinhardt and Schnakenberg models, and comparisons are made with other numerical techniques considered in the literature. The new ADI method is based on an extrapolated Crank-Nicolson OSC method and is algebraically linear. It is efficient, requiring at each time level only O(N) operations where N is the number of unknowns. Moreover, it is shown to produce approximations which are of optimal global accuracy in various norms, and to possess superconvergence properties.

  2. Torsional diffusion Monte Carlo: A method for quantum simulations of proteins

    NASA Astrophysics Data System (ADS)

    Clary, David C.

    2001-06-01

    The quantum diffusion Monte Carlo (DMC) method is extended to the treatment of coupled torsional motions in proteins. A general algorithm and computer program has been developed by interfacing this torsional-DMC method with all-atom force-fields for proteins. The method gives the zero-point energy and atomic coordinates averaged over the coupled torsional motions in the quantum ground state of the protein. Application of the new algorithm is made to the proteins gelsolin (356 atoms and 142 torsions) and gp41-HIV (1101 atoms and 452 torsions). The results indicate that quantum-dynamical effects are important for the energies and geometries of typical proteins such as these.

  3. Selection of charge methods for lithium ion batteries by considering diffusion induced stress and charge time

    NASA Astrophysics Data System (ADS)

    Lu, Bo; Song, Yicheng; Zhang, Junqian

    2016-07-01

    This article demonstrates the design of charging strategies for lithium ion batteries with considering the balance between diffusion induced stress and total charge time for two- and three-stage charge methods. For the two-stage galvanostatic-potentiostatic charge method the low mechanical stress can be achieved without increasing total charge time by switching the galvanostatic to the potentiostatic at the time moment when the lithium concentration at the surface of particles reaches the limit cbarsurf = 0 . A three-stage method, which consists of an initial galvanostatic stage of high current, a galvanostatic stage of low current and a potentiostatic ending stage, is suggested. Employing the initial galvanostatic stage of high current is helpful not only in accelerating the charge process, but also in controlling the mechanical stress once the electrical current and time duration of the initial galvanostatic stage are properly designed.

  4. Diffuse optical tomography reconstruction method using ultrasound images as prior for regularization matrix

    NASA Astrophysics Data System (ADS)

    Althobaiti, Murad; Vavadi, Hamed; Zhu, Quing

    2017-02-01

    Ultrasound-guided diffuse optical tomography (DOT) is a promising imaging technique that maps hemoglobin concentrations of breast lesions to assist ultrasound (US) for cancer diagnosis and treatment monitoring. The accurate recovery of breast lesion optical properties requires an effective image reconstruction method. We introduce a reconstruction approach in which US images are encoded as prior information for regularization of the inversion matrix. The framework of this approach is based on image reconstruction package "NIRFAST." We compare this approach to the US-guided dual-zone mesh reconstruction method, which is based on Born approximation and conjugate gradient optimization developed in our laboratory. Results were evaluated using phantoms and clinical data. This method improves classification of malignant and benign lesions by increasing malignant to benign lesion absorption contrast. The results also show improvements in reconstructed lesion shapes and the spatial distribution of absorption maps.

  5. A high-order discontinuous Galerkin method for unsteady advection-diffusion problems

    NASA Astrophysics Data System (ADS)

    Borker, Raunak; Farhat, Charbel; Tezaur, Radek

    2017-03-01

    A high-order discontinuous Galerkin method with Lagrange multipliers is presented for the solution of unsteady advection-diffusion problems in the high Péclet number regime. It operates directly on the second-order form of the governing equation and does not require any stabilization. Its spatial basis functions are chosen among the free-space solutions of the homogeneous form of the partial differential equation obtained after time-discretization. It also features Lagrange multipliers for enforcing a weak continuity of the approximated solution across the element interface boundaries. This leads to a system of differential-algebraic equations which are time-integrated by an implicit family of schemes. The numerical stability of these schemes and the well-posedness of the overall discretization method are supported by a theoretical analysis. The performance of this method is demonstrated for various high Péclet number constant-coefficient model flow problems.

  6. A method for modeling oxygen diffusion in an agent-based model with application to host-pathogen infection.

    PubMed

    Sershen, Cheryl L; Plimpton, Steven J; May, Elebeoba E

    2014-01-01

    This paper describes a method for incorporating a diffusion field modeling oxygen usage and dispersion in a multi-scale model of Mycobacterium tuberculosis (Mtb) infection mediated granuloma formation. We implemented this method over a floating-point field to model oxygen dynamics in host tissue during chronic phase response and Mtb persistence. The method avoids the requirement of satisfying the Courant-Friedrichs-Lewy (CFL) condition, which is necessary in implementing the explicit version of the finite-difference method, but imposes an impractical bound on the time step. Instead, diffusion is modeled by a matrix-based, steady state approximate solution to the diffusion equation. Presented in figure 1 is the evolution of the diffusion profiles of a containment granuloma over time.

  7. A method for modeling oxygen diffusion in an agent-based model with application to host-pathogen infection

    DOE PAGES

    Plimpton, Steven J.; Sershen, Cheryl L.; May, Elebeoba E.

    2015-01-01

    This paper describes a method for incorporating a diffusion field modeling oxygen usage and dispersion in a multi-scale model of Mycobacterium tuberculosis (Mtb) infection mediated granuloma formation. We implemented this method over a floating-point field to model oxygen dynamics in host tissue during chronic phase response and Mtb persistence. The method avoids the requirement of satisfying the Courant-Friedrichs-Lewy (CFL) condition, which is necessary in implementing the explicit version of the finite-difference method, but imposes an impractical bound on the time step. Instead, diffusion is modeled by a matrix-based, steady state approximate solution to the diffusion equation. Moreover, presented in figuremore » 1 is the evolution of the diffusion profiles of a containment granuloma over time.« less

  8. A method for modeling oxygen diffusion in an agent-based model with application to host-pathogen infection

    SciTech Connect

    Plimpton, Steven J.; Sershen, Cheryl L.; May, Elebeoba E.

    2015-01-01

    This paper describes a method for incorporating a diffusion field modeling oxygen usage and dispersion in a multi-scale model of Mycobacterium tuberculosis (Mtb) infection mediated granuloma formation. We implemented this method over a floating-point field to model oxygen dynamics in host tissue during chronic phase response and Mtb persistence. The method avoids the requirement of satisfying the Courant-Friedrichs-Lewy (CFL) condition, which is necessary in implementing the explicit version of the finite-difference method, but imposes an impractical bound on the time step. Instead, diffusion is modeled by a matrix-based, steady state approximate solution to the diffusion equation. Moreover, presented in figure 1 is the evolution of the diffusion profiles of a containment granuloma over time.

  9. Interpretive accuracy of the disk diffusion method for testing newer orally administered cephalosporins against Morganella morganii.

    PubMed Central

    Biedenbach, D J; Jones, R N; Erwin, M E

    1993-01-01

    Eight newer orally administered cephems (cefdinir, cefetamet, cefixime, cefpodoxime, cefprozil, ceftibuten, cefuroxime, and loracarbef) were tested against 100 clinical strains of Morganella morganii to determine the extent of serious interpretive very major (false-susceptible) errors when current criteria for the disk diffusion test are applied. Agar dilution MICs and disk diffusion tests were performed as recommended by the National Committee for Clinical Laboratory Standards (Villanova, Pa.) (NCCLS), and the methods were compared by regression analysis using the method of least squares and by error rate bounding. The following results are listed in the order of increasing error rates: cefdinir, loracarbef, and cefprozil, < or = 1% very major error; ceftibuten, 8% minor errors; cefuroxime, 21% minor errors; cefixime, cefpodoxime, and cefetamet, very major errors of 15, 24, and 36%, respectively. M. morganii produces unacceptable rates of test error with cefuroxime, cefixime, cefpodoxime, and cefetamet. The latter two cephalosporins currently have NCCLS table footnote warnings covering the problem observed with this organism. The inclusion of cefuroxime and cefixime in the NCCLS table footnote is strongly recommended. PMID:8253998

  10. A Simple and Efficient Diffuse Interface Method for Compressible Two-Phase Flows

    SciTech Connect

    Ray A. Berry; Richard Saurel; Fabien Petitpas

    2009-05-01

    In nuclear reactor safety and optimization there are key issues that rely on in-depth understanding of basic two-phase flow phenomena with heat and mass transfer. For many reasons, to be discussed, there is growing interest in the application of two-phase flow models to provide diffuse, but nevertheless resolved, simulation of interfaces between two immiscible compressible fluids – diffuse interface method (DIM). Because of its ability to dynamically create interfaces and to solve interfaces separating pure media and mixtures for DNS-like (Direct Numerical Simulation) simulations of interfacial flows, we examine the construction of a simple, robust, fast, and accurate numerical formulation for the 5-equation Kapila et al. [1] reduced two-phase model. Though apparently simple, the Kapila et al. model contains a volume fraction differential transport equation containing a nonlinear, non-conservative term which poses serious computational challenges. To circumvent the difficulties encountered with the single velocity and single pressure Kapila et al. [1] multiphase flow model, a 6-equation relaxation hyperbolic model is built to solve interface problems with compressible fluids. In this approach, pressure non-equilibrium is first restored, followed by a relaxation to an asymptotic solution which is convergent to the solutions of the Kapila et al. reduced model. The apparent complexity introduced with this extended hyperbolic model actually leads to considerable simplifications regarding numerical resolution, and the various ingredients used by this method are general enough to consider future extensions to problems involving complex physics.

  11. Thermal diffusivity measurement using thermographic method and performance evaluation by impedance spectroscopy for thermoelectric module

    NASA Astrophysics Data System (ADS)

    Otsuka, Mioko; Terakado, Hiroki; Homma, Ryoei; Hasegawa, Yasuhiro; Zahidul Islam, Md.; Bastian, Georg; Stuck, Alexander

    2016-12-01

    The thermal diffusivity of two bulk thermoelectric elements and a thermoelectric module was measured by an infrared camera using a thermographic method without any contact in air at room temperature. The estimated values for the elements (3.45 × 10-6 m2/s for a BiSb sample and 1.60 × 10-6 m2/s for a BiTe sample) were slightly larger than those measured in vacuum. The difference was explained as the effect of heat convection on the surface of the samples by solving the one-dimensional heat conduction equation numerically. The thermal diffusivity of thermoelectric elements in a thermoelectric module was also estimated using the thermographic method, and values of (1.1-1.7) × 10-6 m2/s in air were obtained, depending on the element. On the basis of the measurement results, the performance of the module was estimated using impedance spectroscopy, which can estimate not only the dimensionless figure of merit but also the thermal loss and response. The thermal response and thermal loss in air were similar to those in vacuum; however, the dimensionless figure of merit was 0.82 in vacuum and 0.70 in air.

  12. Method and apparatus for determining minority carrier diffusion length in semiconductors

    DOEpatents

    Moore, Arnold R.

    1984-02-21

    Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon, which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV for each wavelength. A probe electrode immersed in an electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 volts couples the SPV to a measurement system. The redox couple solution functions to create a liquid Schottky barrier at the surface of the material. The Schottky barrier is contacted by merely placing the probe in the solution. The redox solution is placed over and in contact with the material to be tested and light is passed through the solution to generate the SPV. To compensate for colored redox solutions a portion of the redox solution not over the material is also illuminated for determining the color compensated light intensity. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.

  13. Method and apparatus for determining minority carrier diffusion length in semiconductors

    DOEpatents

    Moore, Arnold R.

    1984-01-01

    Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV for each wavelength. A drop of a transparent electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 volts couples the SPV to a measurement system. The drop of redox couple solution functions to create a liquid Schottky barrier at the surface of the material. Illumination light is passed through a transparent rod supported over the surface and through the drop of transparent electrolyte. The drop is held in the gap between the rod and the surface. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.

  14. Blood species identification using Near-Infrared diffuse transmitted spectra and PLS-DA method

    NASA Astrophysics Data System (ADS)

    Zhang, Linna; Zhang, Shengzhao; Sun, Meixiu; Wang, Zhennan; Li, Hongxiao; Li, Yingxin; Li, Gang; Lin, Ling

    2016-05-01

    Blood species identification is of great significance for blood supervision and wildlife investigations. The current methods used to identify the blood species are destructive. Near-Infrared spectroscopy method is known for its non-invasive properties. In this research, we combined Near-Infrared diffuse transmitted spectra and Partial Least Square Discrimination Analysis (PLS-DA) to identify three blood species, including macaque, human and mouse. Blind test and external test were used to assess the PLS-DA model. The model performed 100% accuracy in its identification between three blood species. This approach does not require a specific knowledge of biochemical features for each individual class but relies on a spectroscopic statistical differentiation of the whole components. This is the first time to demonstrate Near-Infrared diffuse transmitted spectra have the ability to identify the species of origin of blood samples. The results also support a good potential of absorption and scattering spectroscopy for species identification in practical applications for real-time detection.

  15. Application of a Particle Method to the Advection-Diffusion-Reaction Equation

    NASA Astrophysics Data System (ADS)

    Paster, A.; Bolster, D.; Benson, D. A.

    2012-12-01

    A reaction between two chemical species can only happen if molecules collide and react. Thus, the mixing of a system can become a limiting factor in the onset of reaction. Solving for reaction rate in a well-mixed system is typically a straightforward task. However, when incomplete mixing kicks in, obtaining a solution becomes more challenging. Since reaction can only happen in regions where both reactants co-exist, the incomplete mixing may slow down the reaction rate, when compared to a well-mixed system. The effect of incomplete mixing upon reaction is a highly important aspect of various processes in natural and engineered systems, ranging from mineral precipitation in geological formations to groundwater remediation in aquifers. We study a relatively simple system with a bi-molecular irreversible kinetic reaction A+B → Ø where the underlying transport of reactants is governed by an advection-diffusion equation, and the initial concentrations are given in terms of an average and a perturbation. Such a system does not have an analytical solution to date, even for the zero advection case. We model the system by a Monte Carlo particle tracking method, where particles represent some reactant mass. In this method, diffusion is modeled by a random walk of the particles, and reaction is modeled by annihilation of particles. The probability of the annihilation is proportional to the reaction rate constant and the probability density associated with particle co-location. We study the numerical method in depth, characterizing typical numerical errors and time step restrictions. In particular, we show that the numerical method converges to the advection-diffusion-reaction equation at the limit Δt →0. We also rigorously derive the relationship between the initial number of particles in the system and the initial concentrations perturbations represented by that number. We then use the particle simulations of zero-advection system to demonstrate the well

  16. Closing the reduced position-space Fokker-Planck equation for shear-induced diffusion using the Physalis method

    NASA Astrophysics Data System (ADS)

    Sierakowski, Adam J.; Lukassen, Laura J.

    2016-11-01

    In the shear flow of non-Brownian particles, we describe the long-time diffusive processes stochastically using a Fokker-Planck equation. Previous work has indicated that a Fokker-Planck equation coupling the probability densities of position and velocity spaces may be appropriate for describing this phenomenon. The stochastic description, integrated over velocity space to obtain a reduced position-space Fokker-Planck equation, contains unknown space diffusion coefficients. In this work, we use the Physalis method for simulating disperse particle flows to verify the colored-noise velocity space model (an Ornstein-Uhlenbeck process) by comparing the simulated long-time diffusion rate with the diffusion rate proposed by the theory. We then use the simulated data to calculate the unknown space diffusion coefficients that appear in the reduced position-space Fokker-Planck equation and summarize the results. This study was partially supported by US NSF Grant CBET1335965.

  17. A method to study interface diffusion of arsenic into a Nb-Ti microalloyed low carbon steel

    NASA Astrophysics Data System (ADS)

    Zhu, Yuan-zhi; Xu, Jian-ping

    2012-09-01

    A novel diffusion couple method was used to investigate the interface diffusion of arsenic into a Nb-Ti microalloyed low carbon steel and its effects on phase transformation at the interface. It is discovered that the content of arsenic has great effect on grain growth and phase transformation at high temperature. When the arsenic content is no more than 1wt%, there is no obvious grain growth and no obvious ferrite transitional region formed at the diffusion interface. However, when the arsenic content is no less than 5wt%, the grain grows very rapidly. In addition, the arsenic-enriched ferrite transitional layer forms at the diffusion interface in the hot-rolling process, which results from a slower diffusion rate of arsenic atoms than that of carbon in ferrite.

  18. Electrochemical methods for the determination of the diffusion coefficient of ionophores and ionophore-ion complexes in plasticized PVC membranes.

    PubMed

    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.

  19. Biodegradable and magnetic core-shell composite particle prepared by emulsion solvent diffusion method

    NASA Astrophysics Data System (ADS)

    Oka, Chiemi; Ushimaru, Kazunori; Horiishi, Nanao; Tsuge, Takeharu; Kitamoto, Yoshitaka

    2016-02-01

    The present paper describes optimization of preparation conditions of a core-shell composite particle, and its heat generation by alternating magnetic fields. The composite particles are prepared with a modified emulsion solvent diffusion method, which is combined with Pickering emulsion stabilized by magnetic nanoparticles. In this method, the magnetic nanoparticles act as an emulsifier, and its amount and size are crucial to morphology of the composite particles. The magnetic nanoparticles of 8-9 nm would be strongly adsorbed at a liquid-liquid interface rather than the larger nanoparticles. At the optimized concentration of the magnetic nanoparticle’s suspension for the preparation, small and uniform composite particles are obtained since the amount of the nanoparticles is enough to prevent coalescence of droplets during the formation of the composites. The heat generation by alternating magnetic fields emerged certainly. This result suggests the composite particles have a property as a heat-generating carrier for hyperthermia treatment.

  20. Numerical Study of Two-Dimensional Reaction-Diffusion Brusselator System by Differential Quadrature Method

    NASA Astrophysics Data System (ADS)

    Mittal, R. C.; Jiwari, Ram

    2011-01-01

    In this paper, a rapid, convergent and accurate differential quadrature method (DQM) is employed for numerical study of a two-dimensional reaction-diffusion Brusselator system. In the Brusselator system the reaction terms arise from the mathematical modeling of chemical systems such as in enzymatic reactions, and in plasma and laser physics in multiple coupling between modes. By employing DQM, accurate results can be obtained using fewer grid points in spatial domain for a large value of T = 50. We also found that Chebyshev-Gauss-Lobatto grid points give excellent results in comparison to other grid points such as uniform grid points. Three examples are solved to illustrate the accuracy and efficiency of the DQM. Convergence and stability of the method is also examined.

  1. Numerical method using cubic B-spline for a strongly coupled reaction-diffusion system.

    PubMed

    Abbas, Muhammad; Majid, Ahmad Abd; Md Ismail, Ahmad Izani; Rashid, Abdur

    2014-01-01

    In this paper, a numerical method for the solution of a strongly coupled reaction-diffusion system, with suitable initial and Neumann boundary conditions, by using cubic B-spline collocation scheme on a uniform grid is presented. The scheme is based on the usual finite difference scheme to discretize the time derivative while cubic B-spline is used as an interpolation function in the space dimension. The scheme is shown to be unconditionally stable using the von Neumann method. The accuracy of the proposed scheme is demonstrated by applying it on a test problem. The performance of this scheme is shown by computing L∞ and L2 error norms for different time levels. The numerical results are found to be in good agreement with known exact solutions.

  2. Lattice Boltzmann methods for some 2-D nonlinear diffusion equations:Computational results

    SciTech Connect

    Elton, B.H.; Rodrigue, G.H. . Dept. of Applied Science Lawrence Livermore National Lab., CA ); Levermore, C.D. . Dept. of Mathematics)

    1990-01-01

    In this paper we examine two lattice Boltzmann methods (that are a derivative of lattice gas methods) for computing solutions to two two-dimensional nonlinear diffusion equations of the form {partial derivative}/{partial derivative}t u = v ({partial derivative}/{partial derivative}x D(u){partial derivative}/{partial derivative}x u + {partial derivative}/{partial derivative}y D(u){partial derivative}/{partial derivative}y u), where u = u({rvec x},t), {rvec x} {element of} R{sup 2}, v is a constant, and D(u) is a nonlinear term that arises from a Chapman-Enskog asymptotic expansion. In particular, we provide computational evidence supporting recent results showing that the methods are second order convergent (in the L{sub 1}-norm), conservative, conditionally monotone finite difference methods. Solutions computed via the lattice Boltzmann methods are compared with those computed by other explicit, second order, conservative, monotone finite difference methods. Results are reported for both the L{sub 1}- and L{sub {infinity}}-norms.

  3. Convergence of methods for coupling of microscopic and mesoscopic reaction-diffusion simulations

    NASA Astrophysics Data System (ADS)

    Flegg, Mark B.; Hellander, Stefan; Erban, Radek

    2015-05-01

    In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction-diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment-placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a "ghost cell" in which molecules can disappear and jump into the compartment-based simulation. Presented is a comparison of sources of error. The convergent properties of this error are studied as the time step Δt (for updating the molecular-based part of the model) approaches zero. It is found that the error behaviour depends on another fundamental computational parameter h, the compartment size in the mesoscopic part of the model. Two important limiting cases, which appear in applications, are considered: Δt → 0 and h is fixed; Δt → 0 and h → 0 such that √{ Δt } / h is fixed. The error for previously developed approaches (the TRM and CPM) converges to zero only in the limiting case (ii), but not in case (i). It is shown that the error of the GCM converges in the limiting case (i). Thus the GCM is superior to previous coupling techniques if the mesoscopic description is much coarser than the microscopic part of the model.

  4. Operational methods for minimising soil compaction and diffuse pollution risk from wheelings in winter cereals

    NASA Astrophysics Data System (ADS)

    Jackson, Bob; Silgram, Martyn; Quinton, John

    2010-05-01

    Recent UK government-funded research has shown that compacted, unvegetated tramlines wheelings can represent an important source and transport pathway, which can account for 80% of surface runoff, sediment and phosphorus losses to edge-of-field from cereals on moderate slopes. For example, recent research found 5.5-15.8% of rainfall lost as runoff, and losses of 0.8-2.9 kg TP/ha and 0.3-4.8 T/ha sediment from tramline wheelings. When compaction was released by shallow cultivation, runoff was reduced to 0.2-1.7% of rainfall with losses of 0.0-0.2 kg TP/ha and 0.003-0.3 T/ha sediment respectively i.e. close to reference losses from control areas without tramlines. Recent independent assessments using novel tracer techniques have also shown that tramline wheelings can represent important sediment sources at river catchment scale. In response to these latest findings, a new project is now underway investigating the most cost-effective and practical ways of operationalising methods for managing tramline wheelings in autumn-sown cereal systems to reduce the risk of soil compaction from the autumn spray operation and the associated risk of surface runoff and diffuse pollution loss of sediment, phosphorus and nitrogen to edge of field. Research is focusing on the over-winter period when soils are close to field capacity and the physical protection of the soil surface granted by growing crop is limited. This paper outlines this new multi-disciplinary project and associated methodologies, which include hillslope-scale event-based evaluations of the effectiveness of novel mitigation methods on surface runoff and diffuse pollution losses to edge of field, assessments of the economic and practical viability of mitigation methods, and modelling the impact on water quality of implementation of the most promising techniques at both farm and catchment scale. The study involves a large consortium with 20 partners, including many industrial organisations representing tractor, crop

  5. Testing the U-Th/4He dating method on carbonates I. Helium diffusion

    NASA Astrophysics Data System (ADS)

    Pinti, D. L.; Ghaleb, B. G.; Sano, Y.; Blanchette, S.; Mathouchanh, E.; Takahata, N.

    2012-12-01

    Corals and other carbonates, such as speleothems, are important climatic-change proxies which need to be precisely dated for paleoclimatic reconstructions. Yet, U-Th disequilibrium method is applicable up to ca. 500 ka old carbonates. Calcite is difficult to date precisely by U-Pb method because of the low U amounts often found and difficulties in correcting for the common lead. Radiogenic 4He produced by decay of 238U and 235U incorporated into carbonates is a potential chronometer of Quaternary, and possibly Tertiary, corals and speleothems. However, several limitations exist for this method, related to the few data on the He diffusion [1] and on the alpha recoil effect in carbonate minerals. We decided to measure 4He by step heating in carbonate samples dated previously by U-Th disequilibrium: a coral (Scleractinia) from Cape Verde dated at 125 ka; a stalagmite from Patagonia dated at 128 ka; and two hydrothermal travertines from the Ziz Valley in Morocco with ages ≥ 500 ka. A one cm3 of each sample was cut by saw, crushed, washed and sieved to 80-100μm and 100-125μm fractions. Crushed samples (0.5 to 1 gram) were loaded in a vacuum crucible and 4He extracted by step heating. Previous step heating experiments on a sub-Arctic flowstone suggested that 4He is mainly released between 400 and 600°C [2]. However, the first coral sample heated at 100°C steps, showed a release pattern profile with 4He mainly released between 200 and 400°C. Measured 4He amount of 2.05 x 10-8 (±0.03% 1σ) ccSTP/g and U content of 2.7 ppm yield a U-4He age of 62.5 ka, lower than that obtained by U-Th disequilibrium. Data were not precise enough to calculate diffusion parameters using the Arrhenius diagram. The second step-heating pyrolysis of the coral using 50°C-steps indicated that all 4He is released between 250 and 350°C. The measured 4He amount was 2.27 x 10-8 (±0.04% 1σ) ccSTP/g, yielding an age of 83 ka, again lower compared to that obtained by U-Th disequilibrium. The

  6. Measurement of the thermal diffusivity of liquids by the forced Rayleigh scattering method: Theory and experiment

    NASA Astrophysics Data System (ADS)

    Nagasaka, Y.; Hatakeyama, T.; Okuda, M.; Nagashima, A.

    1988-07-01

    This article is devoted to the theory and experiment of the forced Rayleigh scattering method for measurement of thermal diffusivity of liquids which can be employed in the form of an instrument operated optically in a contact-free manner. The theoretical considerations included are: (1) effect of cell wall, (2) effect of dye, (3) effect of Gaussian beam intensity distribution, (4) effect of heating duration time, and (5) effect of coupled dye and wall for a heavily absorbing sample. The errors caused by inadequate setting of optical conditions are also analyzed: (1) effects of grating thickness and (2) effects of initial temperature amplitude. Experimental verifications of the theory have been carried out through the measurements on toluene and water as standard reference substances. As a result of these experiments and theory, the criteria for optimum measuring conditions became available. To demonstrate the applicability of the present theory and the apparatus, the thermal diffusivities of toluene and methanol have been measured near room temperature under atmospheric pressure. The accuracy of the present measurement is estimated to be ±3%.

  7. Lattice Boltzmann method for convection-diffusion equations with general interfacial conditions.

    PubMed

    Hu, Zexi; Huang, Juntao; Yong, Wen-An

    2016-04-01

    In this work, we propose an interfacial scheme accompanying the lattice Boltzmann method for convection-diffusion equations with general interfacial conditions, including conjugate conditions with or without jumps in heat and mass transfer, continuity of macroscopic variables and normal fluxes in ion diffusion in porous media with different porosity, and the Kapitza resistance in heat transfer. The construction of this scheme is based on our boundary schemes [Huang and Yong, J. Comput. Phys. 300, 70 (2015)JCTPAH0021-999110.1016/j.jcp.2015.07.045] for Robin boundary conditions on straight or curved boundaries. It gives second-order accuracy for straight interfaces and first-order accuracy for curved ones. In addition, the new scheme inherits the advantage of the boundary schemes in which only the current lattice nodes are involved. Such an interfacial scheme is highly desirable for problems with complex geometries or in porous media. The interfacial scheme is numerically validated with several examples. The results show the utility of the constructed scheme and very well support our theoretical predications.

  8. Lattice Boltzmann method for convection-diffusion equations with general interfacial conditions

    NASA Astrophysics Data System (ADS)

    Hu, Zexi; Huang, Juntao; Yong, Wen-An

    2016-04-01

    In this work, we propose an interfacial scheme accompanying the lattice Boltzmann method for convection-diffusion equations with general interfacial conditions, including conjugate conditions with or without jumps in heat and mass transfer, continuity of macroscopic variables and normal fluxes in ion diffusion in porous media with different porosity, and the Kapitza resistance in heat transfer. The construction of this scheme is based on our boundary schemes [Huang and Yong, J. Comput. Phys. 300, 70 (2015), 10.1016/j.jcp.2015.07.045] for Robin boundary conditions on straight or curved boundaries. It gives second-order accuracy for straight interfaces and first-order accuracy for curved ones. In addition, the new scheme inherits the advantage of the boundary schemes in which only the current lattice nodes are involved. Such an interfacial scheme is highly desirable for problems with complex geometries or in porous media. The interfacial scheme is numerically validated with several examples. The results show the utility of the constructed scheme and very well support our theoretical predications.

  9. A method for monitoring of oxygen saturation changes in brain tissue using diffuse reflectance spectroscopy.

    PubMed

    Rejmstad, Peter; Johansson, Johannes D; Haj-Hosseini, Neda; Wårdell, Karin

    2017-03-01

    Continuous measurement of local brain oxygen saturation (SO2 ) can be used to monitor the status of brain trauma patients in the neurocritical care unit. Currently, micro-oxygen-electrodes are considered as the "gold standard" in measuring cerebral oxygen pressure (pO2 ), which is closely related to SO2 through the oxygen dissociation curve (ODC) of hemoglobin, but with the drawback of slow in response time. The present study suggests estimation of SO2 in brain tissue using diffuse reflectance spectroscopy (DRS) for finding an analytical relation between measured spectra and the SO2 for different blood concentrations. The P3 diffusion approximation is used to generate a set of spectra simulating brain tissue for various levels of blood concentrations in order to estimate SO2 . The algorithm is evaluated on optical phantoms mimicking white brain matter (blood volume of 0.5-2%) where pO2 and temperature is controlled and on clinical data collected during brain surgery. The suggested method is capable of estimating the blood fraction and oxygen saturation changes from the spectroscopic signal and the hemoglobin absorption profile.

  10. A Monte Carlo based nodal diffusion model for criticality analysis, and, Application of high-order cross section homogenization method to two-group nodal diffusion

    NASA Astrophysics Data System (ADS)

    Ilas, Germina

    In the first part, an accurate and fast computational method is presented as an alternative to the Monte Carlo or deterministic transport theory codes currently used to determine the subcriticality of spent fuel storage lattices. The method is capable of analyzing storage configurations with simple or complex lattice cell geometry. It is developed based on two-group nodal diffusion theory, with the nodal cross sections and discontinuity factors determined from continuous-energy Monte Carlo simulations of each unique node (spent fuel assembly type). Three different approaches are developed to estimate the node-averaged diffusion coefficient. The applicability and the accuracy of the nodal method are assessed in two-dimensional geometry through several benchmark configurations typical at Savannah River Site. It is shown that the multiplication constant of the analyzed configurations is within 1% of the MCNP results. In the second part, the high-order cross section homogenization method, recently developed by McKinley and Rahnema, is implemented in the context of two-group nodal diffusion theory. The method corrects the generalized equivalence theory homogenization parameters for the effect of the core environment. The reconstructed fine-mesh (fuel pin) flux and power distributions are a natural byproduct of this method. The method was not tested for multigroup problems, where it was assumed that the multigroup flux expansion in terms of the perturbation parameter is a convergent series. Here the applicability of the method to two-group problems is studied, and it is shown that the perturbation expansion series converges for the multigroup case. A two-group nodal diffusion code with a bilinear intra-nodal flux shape is developed for the implementation of the high-order homogenization method in the context of the generalized equivalence theory. The method is tested by using as a benchmark a core configuration typical of a BWR in slab geometry, which has large

  11. On the diffuse interface method using a dual-resolution Cartesian grid

    NASA Astrophysics Data System (ADS)

    Ding, Hang; Yuan, Cheng-jun

    2014-09-01

    We investigate the applicability and performance of diffuse interface methods on a dual-resolution grid in solving two-phase flows. In the diffuse interface methods, the interface thickness represents a cut-off length scale in resolving the interfacial dynamics, and it was found that an apparent loss of mass occurs when the interface thickness is comparable to the length scale of flows [24]. From the accuracy and mass conservation point of view, it is desirable to have a thin interface in simulations. We propose to use a dual-resolution Cartesian grid, on which a finer resolution is applied to the volume fraction C than that for the velocity and pressure fields. Because the computation of C field is rather inexpensive compared to that required by velocity and pressure fields, dual-resolution grids can significantly increase the resolution of the interface with only a slight increase of computational cost, as compared to the single-resolution grid. The solution couplings between the fine grid for C and the coarse grid (for velocity and pressure) are delicately designed, to make sure that the interpolated velocity is divergence-free at a discrete level and that the mass and surface tension force are conserved. A variety of numerical tests have been performed to validate the method and check its performance. The dual-resolution grid appears to save nearly 70% of the computational time in two-dimensional simulations and 80% in three-dimensional simulations, and produces nearly the same results as the single-resolution grid. Quantitative comparisons are made with previous studies, including Rayleigh Taylor instability, steadily rising bubble, and partial coalescence of a drop into a pool, and good agreement has been achieved. Finally, results are presented for the deformation and breakup of three-dimensional drops in simple shear flows.

  12. Development of EUCAST disk diffusion method for susceptibility testing of the Bacteroides fragilis group isolates.

    PubMed

    Nagy, Elisabeth; Justesen, Ulrik Stenz; Eitel, Zsuzsa; Urbán, Edit

    2015-02-01

    With the emergence of antibiotic resistance among Bacteroides fragilis group isolates the need of susceptibility testing in routine laboratories is increasing. The aims of the present study were to evaluate the disk diffusion method for susceptibility testing in case of different clinical isolates of Bacteroides spp by comparing zone diameter results with MICs obtained earlier during an Europe-wide antibiotic susceptibility surveillance, and to propose zone diameter breakpoints, which correlate for the EUCAST MIC breakpoints. We tested 381 clinical isolates of the B. fragilis group to amoxicillin/clavulanic acid, cefoxitin, clindamycin, imipenem, metronidazole, moxifloxacin, piperacillin/tazobactam, tigecycline by agar dilution method previously. The inhibition zones of the same antibiotics including meropenem disc were determined by the disc diffusion on Brucella blood agar supplemented with haemin and vitamin K1. Plates were incubated at 37 °C in an anaerobic atmosphere for 24 h. The zone diameters were read at 100% inhibition. In case of discrepant results MICs were determined by gradient test and compared with the inhibition zones on the same plate. We found a good agreement between the inhibition zone diameters and the MICs for imipenem, metronidazole, moxifloxacin and tigecyclin. The inhibition zone diameters of meropenem also separated clearly the isolates, which can be considered wild-type isolates. In case of amoxicillin/clavulanic acid and piperacillin/tazobactam intermediate and susceptible isolates according to the MIC determination, overlap during the zone diameter determination. Isolates with an inhibition zone <23 mm for amoxicillin/clavulanic acid and <25 mm for piperacillin/tazobactam should be retested by a MIC determination method. The 10 μg clindamycin disc clearly separated the resistant and the susceptible population of B. fragilis group strains. In the case of cefoxitin only resistant population could be separated with an inhibition

  13. Identifying human microRNA-disease associations by a new diffusion-based method.

    PubMed

    Liao, Bo; Ding, Sumei; Chen, Haowen; Li, Zejun; Cai, Lijun

    2015-08-01

    Identifying the microRNA-disease relationship is vital for investigating the pathogenesis of various diseases. However, experimental verification of disease-related microRNAs remains considerable challenge to many researchers, particularly for the fact that numerous new microRNAs are discovered every year. As such, development of computational methods for disease-related microRNA prediction has recently gained eminent attention. In this paper, first, we construct a miRNA functional network and a disease similarity network by integrating different information sources. Then, we further introduce a new diffusion-based method (NDBM) to explore global network similarity for miRNA-disease association inference. Even though known miRNA-disease associations in the database are rare, NDBM still achieves an area under the ROC curve (AUC) of 85.62% in the leave-one-out cross-validation in improving the prediction accuracy of previous methods significantly. Moreover, our method is applicable to diseases with no known related miRNAs as well as new miRNAs with unknown target diseases. Some associations who strongly predicted by our method are confirmed by public databases. These superior performances suggest that NDBM could be an effective and important tool for biomedical research.

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

    NASA Astrophysics Data System (ADS)

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

    2005-02-01

    The propagation of downwelling irradiance at wavelength λ from surface to a depth (z) in the ocean is governed by the diffuse attenuation coefficient, ?(λ). There are two standard methods for the derivation of ?(λ) in remote sensing, which both are based on empirical relationships involving the blue-to-green ratio of ocean color. Recently, a semianalytical method to derive ?(λ) from reflectance has also been developed. In this study, using ?(490) and ?(443) as examples, we compare the ?(λ) values derived from the three methods using data collected in three different regions that cover oceanic and coastal waters, with ?(490) ranging from ˜0.04 to 4.0 m-1. The derived values are compared with the data calculated from in situ measurements of the vertical profiles of downwelling irradiance. The comparisons show that the two standard methods produced satisfactory estimates of ?(λ) in oceanic waters where attenuation is relatively low but resulted in significant errors in coastal waters. The newly developed semianalytical method appears to have no such limitation as it performed well for both oceanic and coastal waters. For all data in this study the average of absolute percentage difference between the in situ measured and the semianalytically derived ? is ˜14% for λ = 490 nm and ˜11% for λ = 443 nm.

  15. Order- N electron transport calculations from ballistic to diffusive regimes by a time-dependent wave-packet diffusion method: Application to transport properties of carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

    2010-08-01

    We present an order- N [O(N)] calculation method for the quantum electron transport of huge systems up to 80 million atoms. Based on the linear-response Kubo-Greenwood formula, we calculate the conductance through time-dependent diffusion coefficients using the time-dependent wave-packet diffusion approach, which treats the electron wave-packet motion with an O(N) and very high-speed calculation. Combining with molecular-dynamics simulations, we can study the temperature dependence of electron transport properties of materials from atomistic viewpoints from ballistic to diffusive regimes. We apply the present calculation method to transport of the carbon nanotubes (CNTs) with various lengths at various temperatures. In metallic CNTs, the mean-free paths are in good agreements with recent experiments, which reach about 500 nm at room temperature and increase up to several micrometers at low temperature. We find that the resistance increases almost linearly with temperature and takes larger values than expected in the quasiballistic regime. In semiconducting CNTs, the mobilities are affected strongly by the contacts with metallic electrodes through Schottky barriers. The mobilities are maximally 30000cm2/Vs and cut-off frequencies of 300 GHz at room temperature. These calculated results provide useful information to the design of CNT field-effect-transistor devices.

  16. An Adaptive Method of Lines with Error Control for Parabolic Equations of the Reaction-Diffusion Type.

    DTIC Science & Technology

    1984-06-01

    space discretization error . 1. I 3 1. INTRODUCTION Reaction- diffusion processes occur in many branches of biology and physical chemistry. Examples...to model reaction- diffusion phenomena. The primary goal of this adaptive method is to keep a particular norm of the space discretization error less...AD-A142 253 AN ADAPTIVE MET6 OFD LNES WITH ERROR CONTROL FOR 1 INST FOR PHYSICAL SCIENCE AND TECH. I BABUSKAAAO C7 EA OH S UMR AN UNVC EEP R

  17. Griffith diffusers

    NASA Technical Reports Server (NTRS)

    Yang, T.-T.; Nelson, C. D.

    1979-01-01

    Contoured wall diffusers are designed by using an inverse method. The prescribed wall velocity distribution(s) was taken from the high lift airfoil designed by A. A. Griffith in 1938; therefore, such diffusers are named Griffith diffusers. First the formulation of the inverse problem and the method of solution are outlined. Then the typical contour of a two-dimensional diffuser and velocity distributions across the flow channel at various stations are presented. For a Griffith diffuser to operate as it is designed, boundary layer suction is necessary. Discussion of the percentage of through-flow required to be removed for the purpose of boundary layer control is given. Finally, reference is made to the latest version of a computer program for a two-dimensional diffuser requiring only area ratio, nondimensional length and suction percentage as inputs.

  18. Scalable implicit methods for reaction-diffusion equations in two and three space dimensions

    SciTech Connect

    Veronese, S.V.; Othmer, H.G.

    1996-12-31

    This paper describes the implementation of a solver for systems of semi-linear parabolic partial differential equations in two and three space dimensions. The solver is based on a parallel implementation of a non-linear Alternating Direction Implicit (ADI) scheme which uses a Cartesian grid in space and an implicit time-stepping algorithm. Various reordering strategies for the linearized equations are used to reduce the stride and improve the overall effectiveness of the parallel implementation. We have successfully used this solver for large-scale reaction-diffusion problems in computational biology and medicine in which the desired solution is a traveling wave that may contain rapid transitions. A number of examples that illustrate the efficiency and accuracy of the method are given here; the theoretical analysis will be presented.

  19. Lattice Boltzmann Method for Diffusion-Reaction-Transport Processes in Heterogeneous Porous Media

    NASA Astrophysics Data System (ADS)

    Xu, You-Sheng; Zhong, Yi-Jun; Huang, Guo-Xiang

    2004-07-01

    Based on the lattice Boltzmann method and general theory of fluids flowing in porous media, a numerical model is presented for the diffusion-reaction-transport (DRT) processes in porous media. As a test, we simulate a DRT process in a two-dimensional horizontal heterogeneous porous medium. The influence of gravitation in this case can be neglected, and the DRT process can be described by a strongly heterogeneous diagnostic test strip or a thin confined piece of soil with stochastically distributing property in horizontal directions. The results obtained for the relations between reduced fluid saturation S, concentration c1, and concentration c2 are shown by using the visualization computing technique. The computational efficiency and stability of the model are satisfactory.

  20. A systematic investigation of reflectance diffuse optical tomography using nonlinear reconstruction methods and continuous wave measurements

    PubMed Central

    Yuan, Zhen; Zhang, Jiang; Wang, Xiaodong; Li, Changqing

    2014-01-01

    We conducted a systematic investigation of the reflectance diffuse optical tomography using continuous wave (CW) measurements and nonlinear reconstruction algorithms. We illustrated and suggested how to fine-tune the nonlinear reconstruction methods in order to optimize target localization with depth-adaptive regularizations, reduce boundary noises in the reconstructed images using a logarithm based objective function, improve reconstruction quantification using transport models, and resolve crosstalk problems between absorption and scattering contrasts with the CW reflectance measurements. The upgraded nonlinear reconstruction algorithms were evaluated with a series of numerical and experimental tests, which show the potentials of the proposed approaches for imaging both absorption and scattering contrasts in the deep targets with enhanced image quality. PMID:25401014

  1. Second-order curved boundary treatments of the lattice Boltzmann method for convection-diffusion equations

    NASA Astrophysics Data System (ADS)

    Huang, Juntao; Hu, Zexi; Yong, Wen-An

    2016-04-01

    In this paper, we present a kind of second-order curved boundary treatments for the lattice Boltzmann method solving two-dimensional convection-diffusion equations with general nonlinear Robin boundary conditions. The key idea is to derive approximate boundary values or normal derivatives on computational boundaries, with second-order accuracy, by using the prescribed boundary condition. Once the approximate information is known, the second-order bounce-back schemes can be perfectly adopted. Our boundary treatments are validated with a number of numerical examples. The results show the utility of our boundary treatments and very well support our theoretical predications on the second-order accuracy thereof. The idea is quite universal. It can be directly generalized to 3-dimensional problems, multiple-relaxation-time models, and the Navier-Stokes equations.

  2. Tentative inhibition zone criteria (Bauer-Kirby agar disk diffusion method) for rifampin against staphylococci.

    PubMed

    Traub, W H; Spohr, M; Bauer, D

    1987-01-01

    Two of 359 (0.6%) clinical isolates of Staphylococcus aureus and 12 of 218 (5.5%) clinical isolates of coagulase-negative staphylococci were resistant or of intermediate susceptibility against rifampin as based on minimal inhibitory concentration (MIC) breakpoints obtained with the agar dilution method: MIC greater than or equal to 2 micrograms/ml = resistant; MIC 0.25-1 microgram/ml = intermediate susceptible; MIC less than 0.125 microgram/ml = susceptible. The following inhibition zone criteria with 2 micrograms rifampin disks were proposed for staphylococcal isolates utilizing the Bauer-Kirby agar disk diffusion test: diameter of inhibition zones less than or equal to 13 mm = resistant; diameter 14-21 mm = intermediate susceptible; diameter greater than or equal to 22 mm = susceptible.

  3. Robust thalamic nuclei segmentation method based on local diffusion magnetic resonance properties.

    PubMed

    Battistella, Giovanni; Najdenovska, Elena; Maeder, Philippe; Ghazaleh, Naghmeh; Daducci, Alessandro; Thiran, Jean-Philippe; Jacquemont, Sébastien; Tuleasca, Constantin; Levivier, Marc; Bach Cuadra, Meritxell; Fornari, Eleonora

    2016-11-25

    The thalamus is an essential relay station in the cortical-subcortical connections. It is characterized by a complex anatomical architecture composed of numerous small nuclei, which mediate the involvement of the thalamus in a wide range of neurological functions. We present a novel framework for segmenting the thalamic nuclei, which explores the orientation distribution functions (ODFs) from diffusion magnetic resonance images at 3 T. The differentiation of the complex intra-thalamic microstructure is improved by using the spherical harmonic (SH) representation of the ODFs, which provides full angular characterization of the diffusion process in each voxel. The clustering was performed using the k-means algorithm initialized in a data-driven manner. The method was tested on 35 healthy volunteers and our results show a robust, reproducible and accurate segmentation of the thalamus in seven nuclei groups. Six of them closely matched the anatomy and were labeled as anterior, ventral anterior, medio-dorsal, ventral latero-ventral, ventral latero-dorsal and pulvinar, while the seventh cluster included the centro-lateral and the latero-posterior nuclei. Results were evaluated both qualitatively, by comparing the segmented nuclei to the histological atlas of Morel, and quantitatively, by measuring the clusters' extent and the clusters' spatial distribution across subjects and hemispheres. We also showed the robustness of our approach across different sequences and scanners, as well as intra-subject reproducibility of the segmented clusters using additional two scan-rescan datasets. We also observed an overlap between the path of the main long-connection tracts passing through the thalamus and the spatial distribution of the nuclei identified with our clustering algorithm. Our approach, based on SH representations of the ODFs, outperforms the one based on angular differences between the principle diffusion directions, which is considered so far as state

  4. NDRC: A Disease-Causing Genes Prioritized Method Based on Network Diffusion and Rank Concordance.

    PubMed

    Fang, Minghong; Hu, Xiaohua; Wang, Yan; Zhao, Junmin; Shen, Xianjun; He, Tingting

    2015-07-01

    Disease-causing genes prioritization is very important to understand disease mechanisms and biomedical applications, such as design of drugs. Previous studies have shown that promising candidate genes are mostly ranked according to their relatedness to known disease genes or closely related disease genes. Therefore, a dangling gene (isolated gene) with no edges in the network can not be effectively prioritized. These approaches tend to prioritize those genes that are highly connected in the PPI network while perform poorly when they are applied to loosely connected disease genes. To address these problems, we propose a new disease-causing genes prioritization method that based on network diffusion and rank concordance (NDRC). The method is evaluated by leave-one-out cross validation on 1931 diseases in which at least one gene is known to be involved, and it is able to rank the true causal gene first in 849 of all 2542 cases. The experimental results suggest that NDRC significantly outperforms other existing methods such as RWR, VAVIEN, DADA and PRINCE on identifying loosely connected disease genes and successfully put dangling genes as potential candidate disease genes. Furthermore, we apply NDRC method to study three representative diseases, Meckel syndrome 1, Protein C deficiency and Peroxisome biogenesis disorder 1A (Zellweger). Our study has also found that certain complex disease-causing genes can be divided into several modules that are closely associated with different disease phenotype.

  5. A Time-Adaptive Integrator Based on Radau Methods for Advection Diffusion Reaction PDEs

    NASA Astrophysics Data System (ADS)

    Gonzalez-Pinto, S.; Perez-Rodriguez, S.

    2009-09-01

    The numerical integration of time-dependent PDEs, especially of Advection Diffusion Reaction type, for two and three spatial variables (in short, 2D and 3D problems) in the MoL framework is considered. The spatial discretization is made by using Finite Differences and the time integration is carried out by means of the L-stable, third order formula known as the two stage Radau IIA method. The main point for the solution of the large dimensional ODEs is not to solve the stage values of the Radau method until convergence (because the convergence is very slow on the stiff components), but only giving a very few iterations and take as advancing solution the latter stage value computed. The iterations are carried out by using the Approximate Matrix Factorization (AMF) coupled to a Newton-type iteration (SNI) as indicated in [5], which turns out in an acceptably cheap iteration, like Alternating Directions Methods (ADI) of Peaceman and Rachford (1955). Some stability results for the whole process (AMF)-(SNI) and a local error estimate for an adaptive time-integration are also given. Numerical results on two standard PDEs are presented and some conclusions about our method and other well-known solvers are drawn.

  6. Diffusion energy profiles in silica mesoporous molecular sieves modelled with the fragment molecular orbital method

    NASA Astrophysics Data System (ADS)

    Roskop, Luke; Fedorov, Dmitri G.; Gordon, Mark S.

    2013-07-01

    The fragment molecular orbital (FMO) method is used to model truncated portions of mesoporous silica nanoparticle (MSN) pores. The application of the FMO/RHF (restricted Hartree-Fock) method to MCM-41 type MSNs is discussed and an error analysis is given. The FMO/RHF method is shown to reliably approximate the RHF energy (error ∼0.2 kcal/mol), dipole moment (error ∼0.2 debye) and energy gradient (root mean square [RMS] error ∼0.2 × 10-3 a.u./bohr). Several FMO fragmentation schemes are employed to provide guidance for future applications to MSN models. An MSN pore model is functionalised with (phenyl)propyl substituents and the diffusion barrier for benzene passing through the pore is computed by the FMO/RHF-D method with the Grimme dispersion correction (RHF-D). For the reaction coordinates examined here, the maximum FMO/RHF-D interaction energies range from -0.3 to -5.8 kcal/mol.

  7. Fast optimization method based on the diffuser dot density for uniformity of the backlight module.

    PubMed

    Huang, Bing-Le; Guo, Tai-Liang

    2016-02-20

    A fast optimization method based on the diffuser dot density (DDD) for uniformity of the backlight module (BLM) is proposed in the paper. First, the relationship between the efficiency of the light emerging and the DDD is analyzed, and then a simulation model that is employed to acquire a serial of simulating data is constructed. Second, a mathematic method to profit the relationship is adopted, and a polynomial relationship is derived. Finally, an algorithm to adjust the DDD and optimize the uniformity of the BLM based on the DDD is constructed. The simulation results prove that only by three times optimization, the uniformity of the BLM can reach 85.6%, and the experimental result indicates that the algorithm proposed in the paper can improve the uniformity rapidly. The final experimental result is that the uniformity of the third optimization reaches 77.4%, which satisfies the target 75% in the phase of designing the BLM. Compared to the conventional optimization method, the method can speed up the procedure and lower the expense of developing the BLM in fabricating the liquid-crystal display.

  8. An anatomically driven anisotropic diffusion filtering method for 3D SPECT reconstruction

    NASA Astrophysics Data System (ADS)

    Kazantsev, Daniil; Arridge, Simon R.; Pedemonte, Stefano; Bousse, Alexandre; Erlandsson, Kjell; Hutton, Brian F.; Ourselin, Sébastien

    2012-06-01

    In this study, we aim to reconstruct single-photon emission computed tomography images using anatomical information from magnetic resonance imaging as a priori knowledge about the activity distribution. The trade-off between anatomical and emission data is one of the main concerns for such studies. In this work, we propose an anatomically driven anisotropic diffusion filter (ADADF) as a penalized maximum likelihood expectation maximization optimization framework. The ADADF method has improved edge-preserving denoising characteristics compared to other smoothing penalty terms based on quadratic and non-quadratic functions. The proposed method has an important ability to retain information which is absent in the anatomy. To make our approach more stable to the noise-edge classification problem, robust statistics have been employed. Comparison of the ADADF method is performed with a successful anatomically driven technique, namely, the Bowsher prior (BP). Quantitative assessment using simulated and clinical neuroreceptor volumetric data show the advantage of the ADADF over the BP. For the modelled data, the overall image resolution, the contrast, the signal-to-noise ratio and the ability to preserve important features in the data are all improved by using the proposed method. For clinical data, the contrast in the region of interest is significantly improved using the ADADF compared to the BP, while successfully eliminating noise.

  9. Evaluation of depth profiling using laser resonant desorption as a method to measure diffusion coefficients in ice.

    PubMed

    Dominé, F; Xueref, I

    2001-09-01

    Diffusion of gases in ice is involved in cloud, snow, and ice core chemistry, but few data exist on the relevant diffusion coefficients. A novel method to measure diffusion coefficients in ice has recently been proposed by Livingston et al. (Anal. Chem., 2000, 72, 5590-5599). It is based on depth profiling of doped ice crystals epitaxially grown on Ru(001) by laser resonant desorption (LRD). Using this method, Livingston et al. obtained a value of the diffusion coefficient of the HCl hydrate in ice at 190 K of about 5 x 10(-11) cm2/s. We argue here that this value is many orders of magnitude higher than what could be expected from literature values, which are not reported in sufficient detail by Livingston et al. We investigate the possibilities that their high value could be due to (1) diffusion in defects in the ice, which would be present in very high concentrations because of the ice growth method; and (2) the fact that diffusion of high concentrations of HCl in ice at 190 K forms an amorphous HCl:H2O solid mixture, where HCl diffusion is fast. We present new infrared spectroscopic data on solid HCl:H2O mixtures that confirm that such mixtures can indeed be formed in an amorphous state at 190 K. Our proposed interpretation is that by depositing large amounts of HCl on epitaxially grown ice, Livingston et al. created a superficial amorphous binary mixture and that fast diffusion of HCl in the ice, possibly accelerated by a high defect density, produced an amorphous HCl:H2O mixture. We conclude that the processes studied by Livingston et al. are different from those involved in the atmospheric and cryospheric sciences, and that their data, obtained by depth profiling using LRD, probably cannot be applied to those fields.

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

    USGS Publications Warehouse

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

    2015-01-01

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

  11. Evaluation and comparison of diffusion MR methods for measuring apparent transcytolemmal water exchange rate constant

    NASA Astrophysics Data System (ADS)

    Tian, Xin; Li, Hua; Jiang, Xiaoyu; Xie, Jingping; Gore, John C.; Xu, Junzhong

    2017-02-01

    Two diffusion-based approaches, CG (constant gradient) and FEXI (filtered exchange imaging) methods, have been previously proposed for measuring transcytolemmal water exchange rate constant kin, but their accuracy and feasibility have not been comprehensively evaluated and compared. In this work, both computer simulations and cell experiments in vitro were performed to evaluate these two methods. Simulations were done with different cell diameters (5, 10, 20 μm), a broad range of kin values (0.02-30 s-1) and different SNR's, and simulated kin's were directly compared with the ground truth values. Human leukemia K562 cells were cultured and treated with saponin to selectively change cell transmembrane permeability. The agreement between measured kin's of both methods was also evaluated. The results suggest that, without noise, the CG method provides reasonably accurate estimation of kin especially when it is smaller than 10 s-1, which is in the typical physiological range of many biological tissues. However, although the FEXI method overestimates kin even with corrections for the effects of extracellular water fraction, it provides reasonable estimates with practical SNR's and more importantly, the fitted apparent exchange rate AXR showed approximately linear dependence on the ground truth kin. In conclusion, either CG or FEXI method provides a sensitive means to characterize the variations in transcytolemmal water exchange rate constant kin, although the accuracy and specificity is usually compromised. The non-imaging CG method provides more accurate estimation of kin, but limited to large volume-of-interest. Although the accuracy of FEXI is compromised with extracellular volume fraction, it is capable of spatially mapping kin in practice.

  12. Evaluation and comparison of diffusion MR methods for measuring apparent transcytolemmal water exchange rate constant.

    PubMed

    Tian, Xin; Li, Hua; Jiang, Xiaoyu; Xie, Jingping; Gore, John C; Xu, Junzhong

    2017-02-01

    Two diffusion-based approaches, CG (constant gradient) and FEXI (filtered exchange imaging) methods, have been previously proposed for measuring transcytolemmal water exchange rate constant kin, but their accuracy and feasibility have not been comprehensively evaluated and compared. In this work, both computer simulations and cell experiments in vitro were performed to evaluate these two methods. Simulations were done with different cell diameters (5, 10, 20μm), a broad range of kin values (0.02-30s(-1)) and different SNR's, and simulated kin's were directly compared with the ground truth values. Human leukemia K562 cells were cultured and treated with saponin to selectively change cell transmembrane permeability. The agreement between measured kin's of both methods was also evaluated. The results suggest that, without noise, the CG method provides reasonably accurate estimation of kin especially when it is smaller than 10s(-1), which is in the typical physiological range of many biological tissues. However, although the FEXI method overestimates kin even with corrections for the effects of extracellular water fraction, it provides reasonable estimates with practical SNR's and more importantly, the fitted apparent exchange rate AXR showed approximately linear dependence on the ground truth kin. In conclusion, either CG or FEXI method provides a sensitive means to characterize the variations in transcytolemmal water exchange rate constant kin, although the accuracy and specificity is usually compromised. The non-imaging CG method provides more accurate estimation of kin, but limited to large volume-of-interest. Although the accuracy of FEXI is compromised with extracellular volume fraction, it is capable of spatially mapping kin in practice.

  13. Development of a method to study positron diffusion in metals by the observation of positronium negative ions

    NASA Astrophysics Data System (ADS)

    Suzuki, Takuji; Terabe, Hiroki; Iida, Shimpei; Yamashita, Takashi; Nagashima, Yasuyuki

    2014-09-01

    We have developed a new method to study positron diffusion in metals. In this method, we observe positronium negative ions emitted from the sample surfaces after coating with alkali-metals to evaluate the yields of the positrons which return to the surfaces. γ-rays from the ions accelerated using an electric field are clearly distinguished from those emitted from pair-annihilation of positrons in the bulk or on the surface and self-annihilation of emitted positronium atoms. Reliable studies on positron diffusion in metals have been enabled by this method.

  14. In situ TEM study of stability of TaRhx diffusion barriers using a novel sample preparation method.

    PubMed

    Dalili, Neda; Li, Peng; Kupsta, Martin; Liu, Qi; Ivey, Douglas G

    2014-03-01

    The atomic diffusion mechanisms associated with metallurgical failure of TaRhx diffusion barriers for Cu metallizations were studied by in situ transmission electron microscopy (TEM). The issues related to in situ heating of focused ion beam (FIB) prepared cross-sectional TEM samples that contain Cu thin films are discussed. The Cu layer in Si/(13 nm)TaRhx/Cu stacks showed grain growth and formation of voids at temperatures exceeding 550°C. For Si/(43 nm)TaRhx/Cu stacks, grain growth of Cu was delayed to higher temperatures, i.e., 700°C, and void formation was not observed. Extensive surface diffusion of Cu, however, preceded bulk diffusion. Therefore, a 10 nm film of electron beam evaporated C was deposited on both sides of the TEM lamellae to limit surface diffusion. This processing technique allowed for direct observation of atomic diffusion and reaction mechanisms across the TaRhx interface. Failure occurred by nucleation of orthorhombic RhSi particles at the Si/TaRhx interface. Subsequently, the barrier at areas adjacent to RhSi particles was depleted in Rh. This created lower density areas in the barrier, which facilitated diffusion of Cu to the Si substrate to form Cu3Si. The morphology of an in situ annealed lamella was compared with an ex situ bulk annealed sample, which showed similar reaction morphology. The sample preparation method developed in this study successfully prevented surface diffusion/delamination of the Cu layer and can be employed to understand the metallurgical failure of other potential diffusion barriers.

  15. Method qualification and application of diffusion interaction parameter and virial coefficient.

    PubMed

    Shi, Shuai; Uchida, Makiko; Cheung, Jason; Antochshuk, Valentyn; Shameem, Mohammed

    2013-11-01

    This research focused on evaluation and application of two methods in studying weak protein-protein interactions, i.e. diffusion interaction parameter (KD) and second virial coefficient (B22), both of which are first-order coefficients of protein interactions. Although the plate-based KD method successfully distinguished KD values with relatively large difference in a pH ranging study, it failed to make a consistent statistical decision to determine close interactions as shown by the comprehensive ANOVA analysis. We also validated the DLS-based B22 method by using a model protein lysozyme. The dramatic change of solution appearance for lysozyme as a function of NaCl concentration highlighted the importance of B22 in understanding protein interactions. Moreover, B22 measurement for a MAb fragment suggested a more repulsive protein interaction in histidine buffer than in citrate buffer. The coefficient of variation was <10% when B22 was on an order of magnitude of 10(-4) L mmol/g(2) in contrast to >30% when it approached 10(-5) L mmol/g(2). In this research, we also made an attempt to study protein-protein interactions in concentrated MAb fragment solutions (e.g. >50 mg/mL). Our data suggested that such interactions could be empirically modeled by high-order virial expansions.

  16. Cell-centered nonlinear finite-volume methods for the heterogeneous anisotropic diffusion problem

    NASA Astrophysics Data System (ADS)

    Terekhov, Kirill M.; Mallison, Bradley T.; Tchelepi, Hamdi A.

    2017-02-01

    We present two new cell-centered nonlinear finite-volume methods for the heterogeneous, anisotropic diffusion problem. The schemes split the interfacial flux into harmonic and transversal components. Specifically, linear combinations of the transversal vector and the co-normal are used that lead to significant improvements in terms of the mesh-locking effects. The harmonic component of the flux is represented using a conventional monotone two-point flux approximation; the component along the parameterized direction is treated nonlinearly to satisfy either positivity of the solution as in [29], or the discrete maximum principle as in [9]. In order to make the method purely cell-centered, we derive a homogenization function that allows for seamless interpolation in the presence of heterogeneity following a strategy similar to [46]. The performance of the new schemes is compared with existing multi-point flux approximation methods [3,5]. The robustness of the scheme with respect to the mesh-locking problem is demonstrated using several challenging test cases.

  17. A reaction-diffusion model of the Darien Gap Sterile Insect Release Method

    NASA Astrophysics Data System (ADS)

    Alford, John G.

    2015-05-01

    The Sterile Insect Release Method (SIRM) is used as a biological control for invasive insect species. SIRM involves introducing large quantities of sterilized male insects into a wild population of invading insects. A fertile/sterile mating produces offspring that are not viable and the wild insect population will eventually be eradicated. A U.S. government program maintains a permanent sterile fly barrier zone in the Darien Gap between Panama and Columbia to control the screwworm fly (Cochliomyia Hominivorax), an insect that feeds off of living tissue in mammals and has devastating effects on livestock. This barrier zone is maintained by regular releases of massive quantities of sterilized male screwworm flies from aircraft. We analyze a reaction-diffusion model of the Darien Gap barrier zone. Simulations of the model equations yield two types of spatially inhomogeneous steady-state solutions representing a sterile fly barrier that does not prevent invasion and a barrier that does prevent invasion. We investigate steady-state solutions using both phase plane methods and monotone iteration methods and describe how barrier width and the sterile fly release rate affects steady-state behavior.

  18. Inverse Monte Carlo method in a multilayered tissue model for diffuse reflectance spectroscopy.

    PubMed

    Fredriksson, Ingemar; Larsson, Marcus; Strömberg, Tomas

    2012-04-01

    Model based data analysis of diffuse reflectance spectroscopy data enables the estimation of optical and structural tissue parameters. The aim of this study was to present an inverse Monte Carlo method based on spectra from two source-detector distances (0.4 and 1.2 mm), using a multilayered tissue model. The tissue model variables include geometrical properties, light scattering properties, tissue chromophores such as melanin and hemoglobin, oxygen saturation and average vessel diameter. The method utilizes a small set of presimulated Monte Carlo data for combinations of different levels of epidermal thickness and tissue scattering. The path length distributions in the different layers are stored and the effect of the other parameters is added in the post-processing. The accuracy of the method was evaluated using Monte Carlo simulations of tissue-like models containing discrete blood vessels, evaluating blood tissue fraction and oxygenation. It was also compared to a homogeneous model. The multilayer model performed better than the homogeneous model and all tissue parameters significantly improved spectral fitting. Recorded in vivo spectra were fitted well at both distances, which we previously found was not possible with a homogeneous model. No absolute intensity calibration is needed and the algorithm is fast enough for real-time processing.

  19. Multiscale diffusion method for simulations of long-time defect evolution with application to dislocation climb

    NASA Astrophysics Data System (ADS)

    Baker, K. L.; Curtin, W. A.

    2016-07-01

    In many problems of interest to materials scientists and engineers, the evolution of crystalline extended defects (dislocations, cracks, grain boundaries, interfaces, voids, precipitates) is controlled by the flow of point defects (interstitial/substitutional atoms and/or vacancies) through the crystal into the extended defect. Precise modeling of this behavior requires fully atomistic methods in and around the extended defect, but the flow of point defects entering the defect region can be treated by coarse-grained methods. Here, a multiscale algorithm is presented to provide this coupling. Specifically, direct accelerated molecular dynamics (AMD) of extended defect evolution is coupled to a diffusing point defect concentration field that captures the long spatial and temporal scales of point defect motion in the presence of the internal stress fields generated by the evolving defect. The algorithm is applied to study vacancy absorption into an edge dislocation in aluminum where vacancy accumulation in the core leads to nucleation of a double-jog that then operates as a sink for additional vacancies; this corresponds to the initial stages of dislocation climb modeled with explicit atomistic resolution. The method is general and so can be applied to many other problems associated with nucleation, growth, and reaction due to accumulation of point defects in crystalline materials.

  20. Diffuse reflectance near infrared-chemometric methods development and validation of amoxicillin capsule formulations

    PubMed Central

    Khan, Ahmed Nawaz; Khar, Roop Krishen; Ajayakumar, P. V.

    2016-01-01

    Objective: The aim of present study was to establish near infrared-chemometric methods that could be effectively used for quality profiling through identification and quantification of amoxicillin (AMOX) in formulated capsule which were similar to commercial products. In order to evaluate a large number of market products easily and quickly, these methods were modeled. Materials and Methods: Thermo Scientific Antaris II near infrared analyzer with TQ Analyst Chemometric Software were used for the development and validation of the identification and quantification models. Several AMOX formulations were composed with four excipients microcrystalline cellulose, magnesium stearate, croscarmellose sodium and colloidal silicon dioxide. Development includes quadratic mixture formulation design, near infrared spectrum acquisition, spectral pretreatment and outlier detection. According to prescribed guidelines by International Conference on Harmonization (ICH) and European Medicine Agency (EMA) developed methods were validated in terms of specificity, accuracy, precision, linearity, and robustness. Results: On diffuse reflectance mode, an identification model based on discriminant analysis was successfully processed with 76 formulations; and same samples were also used for quantitative analysis using partial least square algorithm with four latent variables and 0.9937 correlation of coefficient followed by 2.17% root mean square error of calibration (RMSEC), 2.38% root mean square error of prediction (RMSEP), 2.43% root mean square error of cross-validation (RMSECV). Conclusion: Proposed model established a good relationship between the spectral information and AMOX identity as well as content. Resulted values show the performance of the proposed models which offers alternate choice for AMOX capsule evaluation, relative to that of well-established high-performance liquid chromatography method. Ultimately three commercial products were successfully evaluated using developed

  1. A Novel, Nondestructive, Dried Blood Spot-Based Hematocrit Prediction Method Using Noncontact Diffuse Reflectance Spectroscopy.

    PubMed

    Capiau, Sara; Wilk, Leah S; Aalders, Maurice C G; Stove, Christophe P

    2016-06-21

    Dried blood spot (DBS) sampling is recognized as a valuable alternative sampling strategy both in research and in clinical routine. Although many advantages are associated with DBS sampling, its more widespread use is hampered by several issues, of which the hematocrit effect on DBS-based quantitation remains undoubtedly the most widely discussed one. Previously, we developed a method to derive the approximate hematocrit from a nonvolumetrically applied DBS based on its potassium content. Although this method yielded good results and was straightforward to perform, it was also destructive and required sample preparation. Therefore, we now developed a nondestructive method which allows to predict the hematocrit of a DBS based on its hemoglobin content, measured via noncontact diffuse reflectance spectroscopy. The developed method was thoroughly validated. A linear calibration curve was established after log/log transformation. The bias, intraday and interday imprecision of quality controls at three hematocrit levels and at the lower and upper limit of quantitation (0.20 and 0.67, respectively) were less than 11%. In addition, the influence of storage and the volume spotted was evaluated, as well as DBS homogeneity. Application of the method to venous DBSs prepared from whole blood patient samples (n = 233) revealed a good correlation between the actual and the predicted hematocrit. Limits of agreement obtained after Bland and Altman analysis were -0.076 and +0.018. Incurred sample reanalysis demonstrated good method reproducibility. In conclusion, mere scanning of a DBS suffices to derive its approximate hematocrit, one of the most important variables in DBS analysis.

  2. Formulation of improved basis sets for the study of polymer dynamics through diffusion theory methods.

    PubMed

    Gaspari, Roberto; Rapallo, Arnaldo

    2008-06-28

    In this work a new method is proposed for the choice of basis functions in diffusion theory (DT) calculations. This method, named hybrid basis approach (HBA), combines the two previously adopted long time sorting procedure (LTSP) and maximum correlation approximation (MCA) techniques; the first emphasizing contributions from the long time dynamics, the latter being based on the local correlations along the chain. In order to fulfill this task, the HBA procedure employs a first order basis set corresponding to a high order MCA one and generates upper order approximations according to LTSP. A test of the method is made first on a melt of cis-1,4-polyisoprene decamers where HBA and LTSP are compared in terms of efficiency. Both convergence properties and numerical stability are improved by the use of the HBA basis set whose performance is evaluated on local dynamics, by computing the correlation times of selected bond vectors along the chain, and on global ones, through the eigenvalues of the diffusion operator L. Further use of the DT with a HBA basis set has been made on a 71-mer of syndiotactic trans-1,2-polypentadiene in toluene solution, whose dynamical properties have been computed with a high order calculation and compared to the "numerical experiment" provided by the molecular dynamics (MD) simulation in explicit solvent. The necessary equilibrium averages have been obtained by a vacuum trajectory of the chain where solvent effects on conformational properties have been reproduced with a proper screening of the nonbonded interactions, corresponding to a definite value of the mean radius of gyration of the polymer in vacuum. Results show a very good agreement between DT calculations and the MD numerical experiment. This suggests a further use of DT methods with the necessary input quantities obtained by the only knowledge of some experimental values, i.e., the mean radius of gyration of the chain and the viscosity of the solution, and by a suitable vacuum

  3. Holographic method for investigating the diffusion of dye molecules in the polymer host

    NASA Astrophysics Data System (ADS)

    Wang, C. H.; Xia, J. L.

    1990-02-01

    Laser induced holographic grating relaxation studies of thymoquinone dissolved in amorphous poly(α-methyl styrene) have been carried out. The Onsager theory of mutual diffusion for binary and tertiary systems are utilized to analyze the shape of the diffraction intensity curve. Different line shapes that are associated with the relaxation of the diffraction intensity are interpreted in terms of the diffusion processes. Diffusion coefficients are obtained as a function of thymoquinone concentration from 0.3 to 20 wt. % at various temperatures. It is shown that at very low concentrations (less than 0.5%), the self-diffusion coefficients of the dye molecule and its photoproduct are obtained. Above 0.5% concentrations the diffusion coefficient rapidly increases with increasing dye concentration. The temperature dependence of the self-diffusion coefficient follows the Williams-Landel-Ferry equation, whereas the mutual diffusion coefficient at higher dye concentrations follows the Arrhenius equation. The self-diffusion coefficient rapidly decreases as the sample temperature is traversed across the glass transition temperature (Tg). However at finite dye concentrations there is no detectable effect owing to the onset of Tg on the mutual diffusion coefficient. The difference is attributed to the plasticizing effect of the dye molecules.

  4. Cerebral Effects of Targeted Temperature Management Methods Assessed by Diffusion-Weighted Magnetic Resonance Imaging.

    PubMed

    Grejs, Anders Morten; Gjedsted, Jakob; Pedersen, Michael; Birke-Sørensen, Hanne; Rauff-Mortensen, Andreas; Andersen, Kristian Kjær; Kirkegaard, Hans

    2016-12-01

    The aim of this randomized porcine study was to compare surface targeted temperature management (TTM) to endovascular TTM evaluated by cerebral diffusion-weighted magnetic resonance imaging (MRI): apparent diffusion coefficient (ADC), and by intracerebral/intramuscular microdialysis. It is well known that alteration in the temperature affects ADC, but the relationship between cerebral ADC values and the cooling method per se has not been established. Eighteen anesthetized 60-kg female swine were hemodynamically and intracerebrally monitored and subsequently subjected to a baseline MRI. The animals were then randomized into three groups: (1) surface cooling (n = 6) at 33.5°C using EMCOOLSpad(®), (2) endovascular cooling (n = 6) at 33.5°C using an Icy(®) cooling catheter with the CoolGard 3000(®), or (3) control (n = 6) at 38.5°C using a Bair Hugger™. The swine were treated with TTM for 6 hours followed by a second MRI examination, including ADC. Blood and microdialysate were sampled regularly throughout the experiment, and glucose, lactate, pyruvate, glycerol, and the lactate/pyruvate ratio did not differ among groups, neither intracerebrally nor intramuscularly. Surface cooling yielded a significantly lower median ADC than endovascular cooling: 714 (634; 804) × 10(-6) mm(2)/s versus 866 (828; 927) × 10(-6) mm(2)/s, (p < 0.05). The surface cooling ADC was lowered to a range usually attributed to cytotoxic edema and these low values could not be explained solely by the temperature effect per se. To what extent the ADC is fully reversible at rewarming is unknown and the clinical implications should be further investigated in clinical studies.

  5. Retrieval of diffusing surface by two-frame interferometric method with blind phase shift of a reference wave

    NASA Astrophysics Data System (ADS)

    Muravsky, Leonid I.; Kmet', Arkady B.; Voronyak, Taras I.

    2011-08-01

    Two-frame interferometric method with blind phase shift of a reference wave for smooth surfaces retrieval is considered. The ability of this method to reconstruct a macrorelief of diffusing surfaces with a given roughness is studied. Computer simulations have testified the ability of reliable low-noise reconstruction of the diffusing surface macrorelief with standard deviation of the roughness heights up to λ/10 by using the developed interferogram processing algorithm. The simulations have shown that the proposed correlation approach, which is used to determine the reference wave blind phase shift, is more suitable for a diffusing surface than for a smooth one and the increase of surface roughness leads to a quadruple decrease of this error in comparison with that for the smooth surface. Experimental verification of the interferometric method performance to retrieve real diffusing surface macroreliefs with given roughness has been done by using the experimental setup based on a Twyman-Green interferometer and roughness comparison specimen. The obtained experimental results virtually have coincided with the computer simulation results that prove the performance of the considered method to retrieve not only smooth, but also diffusing surfaces.

  6. Determining pre- and syn-eruptive timescales by diffusion methods: case studies from the Oruanui super-eruption

    NASA Astrophysics Data System (ADS)

    Morgan, D. J.; Allan, A. S.; Charlier, B. L.; Wilson, C. J.

    2012-12-01

    Diffusion methods permit investigation of timescales of short-lived processes occurring in magmatic systems before, and in some cases during, eruption. We here present three case studies from the 25.4 ka Oruanui super-eruption looking at diffusion in a variety of minerals that reflects a spectrum of timescales. At one end of the spectrum, the diffusion of Li is exceedingly rapid. Diffusion distances of >100 microns in quartz and plagioclase can be attained in minutes at magmatic conditions. Strong diffusion appears to be induced in the very latest stages of magmatic ascent across most quartz and plagioclase crystals and is interpreted to be due to changes in the melt structure and fluid-melt equilibrium during decompression. With corrections for adiabatic expansion and post-eruptive cooling, the magma ascent rate from depths corresponding to the critical pressure is constrained to be up to 21 m/s. Determining timescales here requires corrections of raw data for local anorthite contents, although Li diffusion itself appears to be largely independent of composition. Fe-Ti oxides can retain significant zonation of Fe and Ti abundance for only a matter of days at magmatic conditions, making them ideal for thermometry to establish pre-eruptive conditions. However, observation of zonation in magnetite grains can be used to infer timescales of processes occurring over days before eruption. Magnetites from the phase 7 Oruanui eruption deposits show zoning, reflecting events which occurred in the hours before quenching of the host pumice. In combination with field and textural evidence, we interpret these events to result from syn-eruptive infiltration of hot mafic magma into Oruanui rhyolite. Diffusion in this scenario is straightforward to model in one dimension but requires consideration of ambient fO2. Structural ions in silicate minerals typically diffuse much more slowly, and so yield information on long-lived and persistent processes. Fe-Mg interdiffusion in

  7. Diffuse Attenuation Coefficient of Downwelling Irradiance: An Evaluation of Remote Sensing Methods

    NASA Technical Reports Server (NTRS)

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

    2005-01-01

    The propagation of downwelling irradiance at wavelength lambda from surface to a depth (z) in the ocean is governed by the diffuse attenuation coefficient, K(sup -)(sub d)(lambda). There are two standard methods for the derivation of K(sup -)(sub d)(lambda) in remote sensing, which both are based on empirical relationships involving the blue-to-green ratio of ocean color. Recently, a semianalytical method to derive K(sup -)(sub d)(lambda) from reflectance has also been developed. In this study, using K(sup -)(sub d)(490) and K(sup -)(sub d)(443) as examples, we compare the K(sup -)(sub d)(lambda) values derived from the three methods using data collected in three different regions that cover oceanic and coastal waters, with K(sup -)(sub d)(490) ranging from approximately 0.04 to 4.0 per meter. The derived values are compared with the data calculated from in situ measurements of the vertical profiles of downwelling irradiance. The comparisons show that the two standard methods produced satisfactory estimates of K(sup -)(sub d)(lambda) in oceanic waters where attenuation is relatively low but resulted in significant errors in coastal waters. The newly developed semianalytical method appears to have no such limitation as it performed well for both oceanic and coastal waters. For all data in this study the average of absolute percentage difference between the in situ measured and the semianalytically derived K(sup -)(sub d) is approximately 14% for lambda = 490 nm and approximately 11% for lambda = 443 nm.

  8. Convergence analysis of two-node CMFD method for two-group neutron diffusion eigenvalue problem

    SciTech Connect

    Jeong, Yongjin; Park, Jinsu; Lee, Hyun Chul; Lee, Deokjung

    2015-12-01

    In this paper, the nonlinear coarse-mesh finite difference method with two-node local problem (CMFD2N) is proven to be unconditionally stable for neutron diffusion eigenvalue problems. The explicit current correction factor (CCF) is derived based on the two-node analytic nodal method (ANM2N), and a Fourier stability analysis is applied to the linearized algorithm. It is shown that the analytic convergence rate obtained by the Fourier analysis compares very well with the numerically measured convergence rate. It is also shown that the theoretical convergence rate is only governed by the converged second harmonic buckling and the mesh size. It is also noted that the convergence rate of the CCF of the CMFD2N algorithm is dependent on the mesh size, but not on the total problem size. This is contrary to expectation for eigenvalue problem. The novel points of this paper are the analytical derivation of the convergence rate of the CMFD2N algorithm for eigenvalue problem, and the convergence analysis based on the analytic derivations.

  9. Agglomeration of Celecoxib by Quasi Emulsion Solvent Diffusion Method: Effect of Stabilizer

    PubMed Central

    Maghsoodi, Maryam; Nokhodchi, Ali

    2016-01-01

    Purpose: The quasi-emulsion solvent diffusion (QESD) has evolved into an effective technique to manufacture agglomerates of API crystals. Although, the proposed technique showed benefits, such as cost effectiveness, that is considerably sensitive to the choice of a stabilizer, which agonizes from a absence of systemic understanding in this field. In the present study, the combination of different solvents and stabilizers were compared to investigate any connections between the solvents and stabilizers. Methods: Agglomerates of celecoxib were prepared by QESD method using four different stabilizers (Tween 80, HPMC, PVP and SLS) and three different solvents (methyl acetate, ethyl acetate and isopropyl acetate). The solid state of obtained particles was investigated by differential scanning calorimetry (DSC) and Fourier transform infrared (FT-IR) spectroscopy. The agglomerated were also evaluated in term of production yield, distribution of particles and dissolution behavior. Results: The results showed that the effectiveness of stabilizer in terms of particle size and particle size distribution is specific to each solvent candidate. A stabilizer with a lower HLB value is preferred which actually increased its effectiveness with the solvent candidates with higher lipophilicity. HPMC appeared to be the most versatile stabilizer because it showed a better stabilizing effect compared to other stabilizers in all solvents used. Conclusion: This study demonstrated that the efficiency of stabilizers in forming the celecoxib agglomerates by QESD was influenced by the HLB of the stabilizer and lipophilicity of the solvents. PMID:28101468

  10. DSA Image Blood Vessel Skeleton Extraction Based on Anti-concentration Diffusion and Level Set Method

    NASA Astrophysics Data System (ADS)

    Xu, Jing; Wu, Jian; Feng, Daming; Cui, Zhiming

    Serious types of vascular diseases such as carotid stenosis, aneurysm and vascular malformation may lead to brain stroke, which are the third leading cause of death and the number one cause of disability. In the clinical practice of diagnosis and treatment of cerebral vascular diseases, how to do effective detection and description of the vascular structure of two-dimensional angiography sequence image that is blood vessel skeleton extraction has been a difficult study for a long time. This paper mainly discussed two-dimensional image of blood vessel skeleton extraction based on the level set method, first do the preprocessing to the DSA image, namely uses anti-concentration diffusion model for the effective enhancement and uses improved Otsu local threshold segmentation technology based on regional division for the image binarization, then vascular skeleton extraction based on GMM (Group marching method) with fast sweeping theory was actualized. Experiments show that our approach not only improved the time complexity, but also make a good extraction results.

  11. Agglomeration of Celecoxib by Quasi Emulsion Solvent Diffusion Method: Effect of Stabilizer.

    PubMed

    Maghsoodi, Maryam; Nokhodchi, Ali

    2016-12-01

    Purpose: The quasi-emulsion solvent diffusion (QESD) has evolved into an effective technique to manufacture agglomerates of API crystals. Although, the proposed technique showed benefits, such as cost effectiveness, that is considerably sensitive to the choice of a stabilizer, which agonizes from a absence of systemic understanding in this field. In the present study, the combination of different solvents and stabilizers were compared to investigate any connections between the solvents and stabilizers. Methods: Agglomerates of celecoxib were prepared by QESD method using four different stabilizers (Tween 80, HPMC, PVP and SLS) and three different solvents (methyl acetate, ethyl acetate and isopropyl acetate). The solid state of obtained particles was investigated by differential scanning calorimetry (DSC) and Fourier transform infrared (FT-IR) spectroscopy. The agglomerated were also evaluated in term of production yield, distribution of particles and dissolution behavior. Results: The results showed that the effectiveness of stabilizer in terms of particle size and particle size distribution is specific to each solvent candidate. A stabilizer with a lower HLB value is preferred which actually increased its effectiveness with the solvent candidates with higher lipophilicity. HPMC appeared to be the most versatile stabilizer because it showed a better stabilizing effect compared to other stabilizers in all solvents used. Conclusion: This study demonstrated that the efficiency of stabilizers in forming the celecoxib agglomerates by QESD was influenced by the HLB of the stabilizer and lipophilicity of the solvents.

  12. An improved profiling method for the measurement of hyperspectral diffuse attenuation coefficents in shallow turbid waters

    NASA Astrophysics Data System (ADS)

    Ma, Li; Tao, Bangyi; Shi, Liangliang; Zhu, Qiankun

    2016-10-01

    The measurement of hyperspectral diffuse attenuation coefficients (Kd(λ)) in shallow turbid waters cannot be successfully achieved by the original Satlantic profiling system, because of less data available in the near-surface waters due to the rapid decrease of light intensity. In this paper, an improved profiling system and processing method are proposed. Firstly, a convenient buoyancy device is designed and mounted on the Satlantic Profiler II to allow the profiler to loiter close to the sea surface, thereby significantly improving the vertical sampling resolution to 1cm/s in near-surface waters, particularly in the depth between 0 and 1 meter. In addition, customized processing software CProSoft is developed to subjectively select the depths for various wavelengths that meet their different requirement for regression analysis. Comparison with original system results shows that our novel method can significantly improve the accuracy of Kd(λ) measurements especially in the short blue and red spectral range, and can even effectively derive near-surface Kd values in the extremely turbid waters with attenuation coefficients greater than 30 m-1, which dramatically enlarge the Kd(λ) measuring range

  13. Micro-analysis by near-infrared diffuse reflectance spectroscopy with chemometric methods.

    PubMed

    Liu, Yan; Ning, Yu; Cai, Wensheng; Shao, Xueguang

    2013-11-07

    Great attention has been paid to near-infrared diffuse reflectance spectroscopy (NIRDRS) due to its practicability in analyzing real complex samples. However, the application of the technique in micro-analysis is badly restricted by its low sensitivity or high detection limit. In this study, the possibility of achieving the sensitive detection of micro-components using NIRDRS with the help of chemometric methods is studied with two experimental datasets. The results show that a very high sensitivity can be obtained when the noise and the variant background are minimized. Quantitative determination of low concentrations of pesticides and trace Cr(3+) in solutions is achieved by using preconcentration and chemometric approaches to minimize the noise and background. The absolute prediction error of the method can be as low as 7.6 μg for the pesticide and 28.6 μg for Cr(3+). These quantities are equivalent to 76 ng mL(-1) and 286 ng mL(-1) if 100 mL of solution are used for the analysis.

  14. Evaluation of Field Map and Nonlinear Registration Methods for Correction of Susceptibility Artifacts in Diffusion MRI

    PubMed Central

    Wang, Sijia; Peterson, Daniel J.; Gatenby, J. C.; Li, Wenbin; Grabowski, Thomas J.; Madhyastha, Tara M.

    2017-01-01

    Correction of echo planar imaging (EPI)-induced distortions (called “unwarping”) improves anatomical fidelity for diffusion magnetic resonance imaging (MRI) and functional imaging investigations. Commonly used unwarping methods require the acquisition of supplementary images during the scanning session. Alternatively, distortions can be corrected by nonlinear registration to a non-EPI acquired structural image. In this study, we compared reliability using two methods of unwarping: (1) nonlinear registration to a structural image using symmetric normalization (SyN) implemented in Advanced Normalization Tools (ANTs); and (2) unwarping using an acquired field map. We performed this comparison in two different test-retest data sets acquired at differing sites (N = 39 and N = 32). In both data sets, nonlinear registration provided higher test-retest reliability of the output fractional anisotropy (FA) maps than field map-based unwarping, even when accounting for the effect of interpolation on the smoothness of the images. In general, field map-based unwarping was preferable if and only if the field maps were acquired optimally. PMID:28270762

  15. Bifurcation analysis of brown tide by reaction-diffusion equation using finite element method

    SciTech Connect

    Kawahara, Mutsuto; Ding, Yan

    1997-03-01

    In this paper, we analyze the bifurcation of a biodynamics system in a two-dimensional domain by virtue of reaction-diffusion equations. The discretization method in space is the finite element method. The computational algorithm for an eigenspectrum is described in detail. On the basis of an analysis of eigenspectra according to Helmholtz`s equation, the discrete spectra in regards to the physical variables are numerically obtained in two-dimensional space. In order to investigate this mathematical model in regards to its practical use, we analyzed the stability of two cases, i.e., hydranth regeneration in the marine hydroid Tubularia and a brown tide in a harbor in Japan. By evaluating the stability according to the linearized stability definition, the critical parameters for outbreaks of brown tide can be theoretically determined. In addition, results for the linear combination of eigenspectrum coincide with the distribution of the observed brown tide. Its periodic characteristic was also verified. 10 refs., 8 figs., 5 tabs.

  16. Open lung biopsy: a safe, reliable and accurate method for diagnosis in diffuse lung disease.

    PubMed

    Shah, S S; Tsang, V; Goldstraw, P

    1992-01-01

    The ideal method for obtaining lung tissue for diagnosis should provide high diagnostic yield with low morbidity and mortality. We reviewed all 432 patients (mean age 55 years) who underwent an open lung biopsy at this hospital over a 10-year period. Twenty-four patients (5.5%) were immunocompromised. One hundred and twenty-five patients were on steroid therapy at the time of operation. Open lung biopsy provided a firm diagnosis in 410 cases overall (94.9%) and in 20 out of 24 patients in the immunocompromised group (83.3%). The commonest diagnosis was cryptogenic fibrosing alveolitis (173 patients). Twenty-two patients (5.1%) suffered complications following the procedure: wound infection 11 patients, pneumothorax 9 patients and haemothorax 1 patient. Thirteen patients (3.0%) died following open lung biopsy, but in only 1 patient was the death attributable to the procedure itself. We conclude that open lung biopsy is an accurate and safe method for establishing a diagnosis in diffuse lung disease with a high yield and minimal risk.

  17. A Simple Educational Method for the Measurement of Liquid Binary Diffusivities

    ERIC Educational Resources Information Center

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

    2014-01-01

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

  18. Analyzing the special PFG signal attenuation behavior of intermolecular MQC via the effective phase shift diffusion equation method.

    PubMed

    Lin, Guoxing

    2015-10-28

    Inter-molecular multiple quantum coherence (iMQC) has important applications in NMR and MRI. However, the current theoretical methods still have some difficulties in analyzing the behavior of iMQC signal attenuation of pulsed field gradient diffusion experiments. In this paper, the iMQC diffusion experiments were analyzed by an effective phase shift diffusion equation (EPSDE) method, which is based on the idea that the accumulating phase shift (APS) can be viewed as the result of a diffusion process in virtual phase space (VPS) with effective diffusion coefficient K(2)(t) D (rad(2)/s) where K(t)=∫0 (t)γg(t')dt' is a wavenumber and D is the physical diffusion coefficient of the spin carrier in the real space. The term K(t(tot)) z1 needs to be added to the APS when K(t(tot)) is not zero. Most of the time, K(t(tot)) equals zero. However, in iMQC experiments, the condition K(t(tot)) equaling zero or being non-zero for each spin depends on the gradient pulse setting. The signal attenuations of these two types of iMQC, zero or non-zero K(t(tot)), were analyzed in detail for free and restricted diffusions, which shows that there are significant differences between these two types of iMQC. Particularly, if an apparent diffusion coefficient D(app) is used to analyze the signal attenuation, it equals nD for zero K(t(tot)) which agrees with current theoretical and experimental reports, while for non-zero K(t(tot)), it equals (2n - 1) D which agrees with experimental results from the literature; there are no similar theoretical results reported for comparison. The result that D(app) equals (2n - 1) D is important because the higher value of D(app) means that non-zero K(t(tot)) iMQC can potentially provide more contrast and measure slower diffusion rates than zero K(t(tot)) iMQC. The EPSDE method provides a new way to analyze iMQC diffusion experiments.

  19. Diffusion of innovation: enhancing the dissemination of the Ponseti method in Latin America through virtual forums.

    PubMed

    Jayawardena, Asitha; Boardman, Allison; Cook, Thomas; Oprescu, Florin; Morcuende, Jose A

    2011-01-01

    This ethnographic study evaluated the use of low-bandwidth web-conferencing to enhance diffusion of a specific best practice, the Ponseti method to treat clubfoot, in three economically diverse countries in Latin America. A "Ponseti Virtual Forum" (PVF) was organized in Guatemala, Peru and Chile to examine the influences of economic level and telecommunication infrastructure on the effectiveness of tins approach. Across the three countries, a total of 14 different sites participated in the PVFs. Thirty-three Ponseti-trained practitioners were interviewed before and after each PVF, which included interactions with a Spanish-speaking Ponseti method expert. Semi-structured interviews, observations, and IP address data were triangulated and analyzed. The results demonstrated that 100% of the practitioners rated the sessions as very useful and that they would use this approach again. The largest obstacles to using PVFs were financial (7 out of 9 practitioners) in Guatemala; a lack of equipment and network access (6 out of 11) in Peru; and the organization and implementation of the conferences themselves (7 out of 9) in Chile. This study illustrates the usefulness of Ponseti Virtual Forums in Latin America. Health officials in Peru are currently developing a large-scale information session for traumatologists about the Ponseti method, while practitioners in Guatemala and Chile are organizing monthly scholarly meetings for physicians in remote areas. This initial feedback suggests that low-bandwidth web-conferencing can be an important vehicle for the dissemination of best practices, such as the Ponseti method, in developing countries.

  20. Measurement of time series variation of thermal diffusivity of magnetic fluid under magnetic field by forced Rayleigh scattering method

    NASA Astrophysics Data System (ADS)

    Motozawa, Masaaki; Muraoka, Takashi; Motosuke, Masahiro; Fukuta, Mitsuhiro

    2017-04-01

    It can be expected that the thermal diffusivity of a magnetic fluid varies from time to time after applying a magnetic field because of the growth of the inner structure of a magnetic fluid such as chain-like clusters. In this study, time series variation of the thermal diffusivity of a magnetic fluid caused by applying a magnetic field was investigated experimentally. For the measurement of time series variation of thermal diffusivity, we attempted to apply the forced Rayleigh scattering method (FRSM), which has high temporal and high spatial resolution. We set up an optical system for the FRSM and measured the thermal diffusivity. A magnetic field was applied to a magnetic fluid in parallel and perpendicular to the heat flux direction, and the magnetic field intensity was 70 mT. The FRSM was successfully applied to measurement of the time series variation of the magnetic fluid from applying a magnetic field. The results show that a characteristic configuration in the time series variation of the thermal diffusivity of magnetic fluid was obtained in the case of applying a magnetic field parallel to the heat flux direction. In contrast, in the case of applying a magnetic field perpendicular to the heat flux, the thermal diffusivity of the magnetic fluid hardly changed during measurement.

  1. An asymptotic-preserving stochastic Galerkin method for the radiative heat transfer equations with random inputs and diffusive scalings

    NASA Astrophysics Data System (ADS)

    Jin, Shi; Lu, Hanqing

    2017-04-01

    In this paper, we develop an Asymptotic-Preserving (AP) stochastic Galerkin scheme for the radiative heat transfer equations with random inputs and diffusive scalings. In this problem the random inputs arise due to uncertainties in cross section, initial data or boundary data. We use the generalized polynomial chaos based stochastic Galerkin (gPC-SG) method, which is combined with the micro-macro decomposition based deterministic AP framework in order to handle efficiently the diffusive regime. For linearized problem we prove the regularity of the solution in the random space and consequently the spectral accuracy of the gPC-SG method. We also prove the uniform (in the mean free path) linear stability for the space-time discretizations. Several numerical tests are presented to show the efficiency and accuracy of proposed scheme, especially in the diffusive regime.

  2. Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method.

    PubMed

    Zhou, Xiaojun; Wang, Fan

    2017-04-30

    Hydrogen-transfer reactions are an important class of reactions in many chemical and biological processes. Barrier heights of H-transfer reactions are underestimated significantly by popular exchange-correlation functional with density functional theory (DFT), while coupled-cluster (CC) method is quite expensive and can be applied only to rather small systems. Quantum Monte-Carlo method can usually provide reliable results for large systems. Performance of fixed-node diffusion quantum Monte-Carlo method (FN-DMC) on barrier heights of the 19 H-transfer reactions in the HTBH38/08 database is investigated in this study with the trial wavefunctions of the single-Slater-Jastrow form and orbitals from DFT using local density approximation. Our results show that barrier heights of these reactions can be calculated rather accurately using FN-DMC and the mean absolute error is 1.0 kcal/mol in all-electron calculations. Introduction of pseudopotentials (PP) in FN-DMC calculations improves efficiency pronouncedly. According to our results, error of the employed PPs is smaller than that of the present CCSD(T) and FN-DMC calculations. FN-DMC using PPs can thus be applied to investigate H-transfer reactions involving larger molecules reliably. In addition, bond dissociation energies of the involved molecules using FN-DMC are in excellent agreement with reference values and they are even better than results of the employed CCSD(T) calculations using the aug-cc-pVQZ basis set. © 2017 Wiley Periodicals, Inc.

  3. Method to extract diffusion length from solar cell parameters—Application to polycrystalline silicon

    NASA Astrophysics Data System (ADS)

    Taretto, K.; Rau, U.; Werner, J. H.

    2003-05-01

    A closed form, analytical expression for the interdependence of the effective diffusion length Leff and the open-circuit voltage of solar cells is derived for the parallel connection of recombination in the space-charge region and in the neutral base region. This expression allows for the calculation of Leff from the open-circuit voltage, the short-circuit current, and the base doping of the solar cell as the only quantities that need to be determined experimentally. Values of Leff calculated with our method match with an accuracy of 35% values that are determined experimentally by quantum-efficiency measurements of silicon solar cells. The agreement holds in a range 0.3 μm method. We further analyze photovoltaic output parameters from literature data of polycrystalline silicon solar cells covering grain sizes from 10-2 to 104 μm. We calculate Leff for these solar cells with our method and interpret the results in terms of grain-boundary recombination velocity SGB. We find that the data points split into two distinct groups, one with 105 cm/s

  4. METHOD OF AND APPARATUS FOR WITHDRAWING LIGHT ISOTOPIC PRODUCT FROM A LIQUID THERMAL DIFFUSION PLANT

    DOEpatents

    Dole, M.

    1959-09-22

    An improved process and apparatus are described for removing enriched product from the columns of a thermal diffusion plant for separation of isotopes. In the removal cycle, light product at the top cf the diffusion columns is circulated through the column tops and a shipping cylinder connected thereto unttl the concertation of enriched product in the cylinder reaches the desired point. During the removal, circulation through the bottoms is blocked bv freezing. in the diffusion cycle, the bottom portion is unfrozen, fresh feed is distributed to the bottoms of the columns, ard heavy product is withdrawn from the bottoms, while the tops of the columns are blocked by freezing.

  5. Secular resonant dressed orbital diffusion - I. Method and WKB limit for tepid discs

    NASA Astrophysics Data System (ADS)

    Fouvry, Jean-Baptiste; Pichon, Christophe; Prunet, Simon

    2015-05-01

    The equation describing the secular diffusion of a self-gravitating collisionless system induced by an exterior perturbation is derived while assuming that the time-scale corresponding to secular evolution is much larger than that corresponding to the natural frequencies of the system. Its two-dimensional formulation for a tepid galactic disc is also derived using the epicyclic approximation. Its Wentzel-Kramers-Brillouin (WKB) limit is found while assuming that only tightly wound transient spirals are sustained by the disc. It yields a simple quadrature for the diffusion coefficients which provides a straightforward understanding of the loci of maximal diffusion within the disc.

  6. Method of coating the interior surface of hollow objects with a diffusion coating

    DOEpatents

    Knowles, Shawn D.; Senor, David J.; Forbes, Steven V.; Johnson, Roger N.; Hollenberg, Glenn W.

    2005-03-15

    A method for forming a diffusion coating on the interior of surface of a hollow object wherein a filament, extending through a hollow object and adjacent to the interior surface of the object, is provided, with a coating material, in a vacuum. An electrical current is then applied to the filament to resistively heat the filament to a temperature sufficient to transfer the coating material from the filament to the interior surface of the object. The filament is electrically isolated from the object while the filament is being resistively heated. Preferably, the filament is provided as a tungsten filament or molybdenum filament. Preferably, the coating materials are selected from the group consisting of Ag, Al, As, Au, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Dy, Er, Eu, Fe, Ga, Ge, Hg, In, K, Li, Mg, Mn, Na, Ni P, Pb, Pd, Pr, S, Sb, Sc, Se, Si, Sn, Sr, Te, Tl, Y, Yb, Zn, and combinations thereof. The invention additionally allows for the formation of nitrides, hydrides, or carbides of all the possible coating materials, where such compounds exist, by providing a partial pressure of nitrogen, hydrogen, hydrocarbons, or combination thereof, within the vacuum.

  7. Charge transport calculations of organic semiconductors by the time-dependent wave-packet diffusion method

    NASA Astrophysics Data System (ADS)

    Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

    2012-02-01

    Organic materials form crystals by relatively weak Van der Waals attraction between molecules, and thus differ fundamentally from covalently bonded semiconductors. Carriers in the organic semiconductors induce the drastic lattice deformation, which is called as polaron state. The polaron effect on the transport is a serious problem. Exactly what conduction mechanism applies to organic semiconductors has not been established. Therefore, we have investigated the transport properties using the Time-Dependent Wave-Packet Diffusion (TD-WPD) method [1]. To consider the polaron effect on the transport, in the methodology, we combine the wave-packet dynamics based on the quantum mechanics theory with the molecular dynamics. As the results, we can describe the electron motion modified by (electron-phonon mediated) time-dependent structural change. We investigate the transport property from an atomistic viewpoint and evaluate the mobility of organic semiconductors. We clarify the temperature dependence of mobility from the thermal activated behavior to the power law behavior. I will talk about these results in my presentation. [1] H. Ishii, N. Kobayashi, K. Hirose, Phys. Rev. B, 82 085435 (2010).

  8. Analytical solution of advection-diffusion equation in heterogeneous infinite medium using Green's function method

    NASA Astrophysics Data System (ADS)

    Sanskrityayn, Abhishek; Kumar, Naveen

    2016-12-01

    Some analytical solutions of one-dimensional advection-diffusion equation (ADE) with variable dispersion coefficient and velocity are obtained using Green's function method (GFM). The variability attributes to the heterogeneity of hydro-geological media like river bed or aquifer in more general ways than that in the previous works. Dispersion coefficient is considered temporally dependent, while velocity is considered spatially and temporally dependent. The spatial dependence is considered to be linear and temporal dependence is considered to be of linear, exponential and asymptotic. The spatio-temporal dependence of velocity is considered in three ways. Results of previous works are also derived validating the results of the present work. To use GFM, a moving coordinate transformation is developed through which this ADE is reduced into a form, whose analytical solution is already known. Analytical solutions are obtained for the pollutant's mass dispersion from an instantaneous point source as well as from a continuous point source in a heterogeneous medium. The effect of such dependence on the mass transport is explained through the illustrations of the analytical solutions.

  9. Lattice Microbes: high-performance stochastic simulation method for the reaction-diffusion master equation

    PubMed Central

    Roberts, Elijah; Stone, John E.; Luthey-Schulten, Zaida

    2013-01-01

    Spatial stochastic simulation is a valuable technique for studying reactions in biological systems. With the availability of high-performance computing, the method is poised to allow integration of data from structural, single-molecule, and biochemical studies into coherent computational models of cells. Here we introduce the Lattice Microbes software package for simulating such cell models on high-performance computing systems. The software performs either well-stirred or spatially resolved stochastic simulations with approximated cytoplasmic crowding in a fast and efficient manner. Our new algorithm efficiently samples the reaction-diffusion master equation using NVIDIA GPUs and is shown to be two orders of magnitude faster than exact sampling for large systems while maintaining an accuracy of ∼0.1%. Display of cell models and animation of reaction trajectories involving millions of molecules is facilitated using a plug-in to the popular VMD visualization platform. The Lattice Microbes software is open source and available for download at http://www.scs.illinois.edu/schulten/lm. PMID:23007888

  10. Lookup-table method for imaging optical properties with structured illumination beyond the diffusion theory regime

    PubMed Central

    Erickson, Tim A.; Mazhar, Amaan; Cuccia, David; Durkin, Anthony J.; Tunnell, James W.

    2010-01-01

    Sinusoidally structured illumination is used in concert with a phantom-based lookup-table (LUT) to map wide-field optical properties in turbid media with reduced albedos as low as 0.44. A key advantage of the lookup-table approach is the ability to measure the absorption (μa) and reduced scattering coefficients (μs′) over a much broader range of values than permitted by current diffusion theory methods. Through calibration with a single reflectance standard, the LUT can extract μs′ from 0.8 to 2.4 mm−1 with an average root-mean-square (rms) error of 7% and extract μa from 0 to 1.0 mm−1 with an average rms error of 6%. The LUT is based solely on measurements of two parameters, reflectance R and modulation M at an illumination period of 10 mm. A single set of three phase-shifted images is sufficient to measure both M and R, which are then used to generate maps of absorption and scattering by referencing the LUT. We establish empirically that each pair (M,R) maps uniquely to only one pair of (μs′,μa) and report that the phase function (i.e., size) of the scatterers can influence the accuracy of optical property extraction. PMID:20615015

  11. International Diffusion of Open Path FTIR Technology and Air Monitoring Methods: Taiwan (Republic of China).

    PubMed

    Giese-Bogdan, Stefan It; Levine, Steven P

    1996-08-01

    International cooperation and diffusion of environmental technologies is a central goal of the U.S. EPA Environmental Technology Initiative, and is of great interest to many countries. One objective is to exchange knowledge and skills concerning new monitoring technologies. In this case, the technology was open path Fourier Transform Infrared Spectrometry (op-FTIR). Taiwan is a high-technology, newly industrialized country. Because of air pollution problems, it is interested in obtaining skills, knowledge, and instrumentation for monitoring air pollutants. In April 1994, the Industrial Technology Research Institute, Center for Industrial Safety and Health Technology (ITRI/CISH) in Hsinchu, Taiwan, requested intensive training in op-FTIR. Training was held between September 30,1994 and October 29,1994. During the stay, the instructor provided intensive training on op-FTIR theory as well as an introduction to available instrumentation and software. The training concluded with a field demonstration of the instrumentation in a manufacturing facility. This report gives an overview of the training methods, structure, and materials in the op-FTIR training course. It will also address various problems encountered while teaching this course. In addition, the potential use for this technology in industry as well as by the Taiwanese government will be explained.

  12. Recovery of H2SO4 from waste acid solution by a diffusion dialysis method.

    PubMed

    Jeong, Jinki; Kim, Min-Seuk; Kim, Byung-Su; Kim, Soo-Kyung; Kim, Won-Baek; Lee, Jae-Chun

    2005-09-30

    A diffusion dialysis method using anion exchange membrane was used to recover H2SO4 from waste sulfuric acid solution produced at the diamond manufacturing process. Effects of flow rate, operation temperature, and metal ion concentration on the recovery of H2SO4 were investigated. The recovery of H2SO4 increased with the concentration of H2SO4 and operation temperature. It also increased with the flow rate ratio of water/H2SO4 solution up to 1, above which no further increase was observed. The flow rate did not affect the rejection of Fe and Ni ions. About 80% of H2SO4 could be recovered from waste sulfuric acid which contained 4.5M free-H2SO4 at the flow rate of 0.26x10(-3) m3/hm3. The concentration of recovered H2SO4 was 4.3M and the total impurity was 2000 ppm. Preliminary economic evaluation has revealed that the dialysis system is highly attractive one that has payback period of only few months.

  13. Comparison of dialysis membrane diffusion samplers and two purging methods in bedrock wells

    USGS Publications Warehouse

    Imbrigiotta, T.E.; Ehlke, T.A.; Lacombe, P.J.; Dale, J.M.; ,

    2002-01-01

    Collection of ground-water samples from bedrock wells using low-flow purging techniques is problematic because of the random spacing, variable hydraulic conductivity, and variable contamination of contributing fractures in each well's open interval. To test alternatives to this purging method, a field comparison of three ground-water-sampling techniques was conducted on wells in fractured bedrock at a site contaminated primarily with volatile organic compounds. Constituent concentrations in samples collected with a diffusion sampler constructed from dialysis membrane material were compared to those in samples collected from the same wells with a standard low-flow purging technique and a hybrid (high-flow/low-flow) purging technique. Concentrations of trichloroethene, cis-1,2-dichloroethene, vinyl chloride, calcium, chloride, and alkalinity agreed well among samples collected with all three techniques in 9 of the 10 wells tested. Iron concentrations varied more than those of the other parameters, but their pattern of variation was not consistent. Overall, the results of nonparametric analysis of variance testing on the nine wells sampled twice showed no statistically significant difference at the 95-percent confidence level among the concentrations of volatile organic compounds or inorganic constituents recovered by use of any of the three sampling techniques.

  14. Integration of experimental and computational methods for identifying geometric, thermal and diffusive properties of biomaterials

    NASA Astrophysics Data System (ADS)

    Weres, Jerzy; Kujawa, Sebastian; Olek, Wiesław; Czajkowski, Łukasz

    2016-04-01

    Knowledge of physical properties of biomaterials is important in understanding and designing agri-food and wood processing industries. In the study presented in this paper computational methods were developed and combined with experiments to enhance identification of agri-food and forest product properties, and to predict heat and water transport in such products. They were based on the finite element model of heat and water transport and supplemented with experimental data. Algorithms were proposed for image processing, geometry meshing, and inverse/direct finite element modelling. The resulting software system was composed of integrated subsystems for 3D geometry data acquisition and mesh generation, for 3D geometry modelling and visualization, and for inverse/direct problem computations for the heat and water transport processes. Auxiliary packages were developed to assess performance, accuracy and unification of data access. The software was validated by identifying selected properties and using the estimated values to predict the examined processes, and then comparing predictions to experimental data. The geometry, thermal conductivity, specific heat, coefficient of water diffusion, equilibrium water content and convective heat and water transfer coefficients in the boundary layer were analysed. The estimated values, used as an input for simulation of the examined processes, enabled reduction in the uncertainty associated with predictions.

  15. Continuous measurement of nitrous acid (HONO) in indoor environment using a diffusion scrubber and chemiluminescence method

    NASA Astrophysics Data System (ADS)

    Park, S.; Hong, J.; Lee, J.; Cho, S.

    2006-12-01

    Recent study has demonstrated that the use of combustion appliances in indoor environments, e.g., gas stoves and heaters, results in significant concentrations of NO2 and nitrous acid (HONO). Indoor HONO is formed by both direct emissions from combustion processes and the heterogeneous reaction of NO2 with water vapor on surfaces present indoors. In this study in-situ instrument was constructed for measuring HONO concentration in both indoor and outdoor environments, utilizing diffusion scrubber and peroxynitrite-induced luminol chemiluminescent methods. We measured the HONO concentration under the conditions existing in living room of an apartment, along with NO, NO2, temperature, and relative humidity, to investigate the sources, chemical transformation, and lifetimes of nitrogen oxides and HONO. Some experiments investigated the emissions and transformations of nitrogen species from operation of unvented or vented gas appliance. Measurement data of NO, NO2, and HONO will be reported, and formation pathway of the HONO under the experimental conditions will also be discussed. In addition to measurement of indoor HONO, comparison of HONO measurements by luminol chemiluminescence and annular denuder integrated samples was made in outdoor environment. HONO in ambient air was sampled with annular denuders (Teflon-coated PM2.5 cyclone inlet followed by two Na2CO3-coated denuders coupled in series) operated at 16.7 L/min. Acknowledgement This study was supported by grant No. (# R01-2005-000-10775-0) from the Basic Research Program of the Korea Science and Engineering Foundation (KOSEF).

  16. A grey diffusion acceleration method for time-dependent radiative transfer calculations

    SciTech Connect

    Nowak, P.F.

    1991-07-01

    The equations of thermal radiative transfer describe the emission, absorption and transport of photons in a material. As photons travel through the material they are absorbed and re-emitted in a Planckian distribution characterized by the material temperature. As a result of these processes, the material can change resulting in a change in the Planckian emission spectrum. When the coupling between the material and radiation is strong, as occurs when the material opacity or the time step is large, standard iterative techniques converge very slowly. As a result, nested iterative algorithms have been applied to the problem. One algorithm, is to use multifrequency DSA to accelerate the convergence of the multifrequency transport iteration and a grey transport acceleration (GTA) followed by a single group DSA. Here we summarize a new method which uses a grey diffusion equation (GDA) to directly solve the multifrequency transport (S{sub N}) problem. Results of Fourier analysis for both the continuous and discretized equations are discussed and the computational efficiency of GDA is compared with the DSA and GTA nested algorithms. 5 refs., 1 fig., 1 tab.

  17. Accelerated stochastic and hybrid methods for spatial simulations of reaction diffusion systems

    NASA Astrophysics Data System (ADS)

    Rossinelli, Diego; Bayati, Basil; Koumoutsakos, Petros

    2008-01-01

    Spatial distributions characterize the evolution of reaction-diffusion models of several physical, chemical, and biological systems. We present two novel algorithms for the efficient simulation of these models: Spatial τ-Leaping ( Sτ-Leaping), employing a unified acceleration of the stochastic simulation of reaction and diffusion, and Hybrid τ-Leaping ( Hτ-Leaping), combining a deterministic diffusion approximation with a τ-Leaping acceleration of the stochastic reactions. The algorithms are validated by solving Fisher's equation and used to explore the role of the number of particles in pattern formation. The results indicate that the present algorithms have a nearly constant time complexity with respect to the number of events (reaction and diffusion), unlike the exact stochastic simulation algorithm which scales linearly.

  18. DEVELOPMENT OF SPLIT-OPERATOR, PETROV-GALERKIN METHODS TO SIMULATE TRANSPORT AND DIFFUSION PROBLEMS

    EPA Science Inventory

    The rate at which contaminants in groundwater undergo sorption and desorption is routinely described using diffusion models. Such approaches, when incorporated into transport models, lead to large systems of coupled equations, often nonlinear. This has restricted applications of ...

  19. Investigation to develop a method to apply diffusion barrier to high strength fibers

    NASA Technical Reports Server (NTRS)

    Veltri, R. D.; Paradis, R. D.; Douglas, F. C.

    1975-01-01

    A radio frequency powered ion plating process was used to apply the diffusion barriers of aluminum oxide, yttrium oxide, hafnium oxide and titanium carbide to a substrate tungsten fiber. Each of the coatings was examined as to its effect on both room temperature strength and tensile strength of the base tungsten fiber. The coated fibers were then overcoated with a nickel alloy to become single cell diffusion couples. These diffusion couples were exposed to 1093 C for 24 hours, cycled between room temperature and 1093 C, and given a thermal anneal for 100 hours at 1200 C. Tensile testing and metallographic examinations determined that the hafnium oxide coating produced the best high temperature diffusion barrier for tungsten of the four coatings.

  20. Development of ultra fast liquid chromatographic method for simultaneous determination of nitrendipine and carvone in skin diffusate samples.

    PubMed

    Gannu, Ramesh; Yamsani, Vamshi Vishnu; Yamsani, Shravan Kumar; Palem, Chinna Reddy; Voruganti, Swathi; Yamsani, Madhusudan Rao

    2009-12-05

    A simple and sensitive reverse phase ultra fast liquid chromatographic (UFLC) method for simultaneous determination of nitrendipine and carvone in skin diffusate samples and microemulsions was developed and validated. The separation was achieved using a gradient mobile phase, on an Onyx column. The eluents were monitored by photodiode array detection. The linearity ranges of proposed method were 0.125-50 microg mL(-1) and 0.125-30 microg mL(-1) for nitrendipine and carvone respectively. The intra-day and inter-day coefficient of variation and percent error values of the assay method were less than 10%. The method was found to be precise, accurate, and specific during the study. The method was successfully applied for simultaneous estimation of nitrendipine and carvone in ex vivo skin diffusate samples and microemulsions.

  1. Simultaneous Determination of Thermal Conductivity and Thermal Diffusivity of Food and Agricultural Materials Using a Transient Plane-Source Method

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Thermal conductivity and thermal diffusivity are two important physical properties essential for designing any food engineering processes. Recently a new transient plane-source method was developed to measure a variety of materials, but its application in foods has not been documented. Therefore, ...

  2. The True Color of Yogi: An Accurate Method for Removing Diffuse Illumination from Multispectral Images of Mars

    NASA Technical Reports Server (NTRS)

    Stoker, Carol R.; Rages, Kathy

    2002-01-01

    We correct spectra of Yogi to remove diffuse illumination and show that the part of Yogi facing the wind is less red than other faces of the rock. Our method eliminates ambiguity in interpreting spectra obtained under Mars illumination conditions. Additional information is contained in the original extended abstract.

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

    EPA Science Inventory

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

  4. Effect of the 5E Model on Prospective Teachers' Conceptual Understanding of Diffusion and Osmosis: A Mixed Method Approach

    ERIC Educational Resources Information Center

    Artun, Huseyin; Costu, Bayram

    2013-01-01

    The aim of this study was to explore a group of prospective primary teachers' conceptual understanding of diffusion and osmosis as they implemented a 5E constructivist model and related materials in a science methods course. Fifty prospective primary teachers' ideas were elicited using a pre- and post-test and delayed post-test survey consisting…

  5. Applications of NMR diffusion methods with emphasis on ion pairing in inorganic chemistry: a mini-review.

    PubMed

    Pregosin, Paul S

    2017-05-01

    This mini-review provides a brief overview of the use of NMR diffusion methods in connection with estimating molecular weights in solution, recognizing hydrogen bonding and encapsulation processes and, primarily, identifying and estimating the varying degrees of ion pairing. Copyright © 2016 John Wiley & Sons, Ltd.

  6. An improved design method and experimental performance of two dimensional curved wall diffusers

    NASA Technical Reports Server (NTRS)

    Yang, T.; Hudson, W. G.; El-Nashar, A. M.

    1972-01-01

    A computer design program was developed to incorporate the suction slots in solving the potential flow equations with prescribed boundary conditions. Using the contour generated from this program two Griffith diffusers were tested having area ratios AR = 3 and 4. The inlet Reynolds number ranged from 600,000 to 7 million. It was found that the slot suction required for metastable operation depends on the sidewall suction applied. Values of slot suction of 8% of the inlet flow rate was required for AR = 4 with metastable condition, provided that enough sidewall suction was applied. For AR = 3, the values of slot suction was about 25% lower than those required for AR = 4. For nearly all unseparated test runs, the effectiveness was 100% and the exit flow was uniform. In addition to the Griffith diffusers, dump and cusp diffusers of comparable area ratios were built and tested. The results obtained from these diffusers were compared with those of the Griffith diffusers. Flow separation occurred in all test runs with the dump and cusp diffusers.

  7. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods.

    PubMed

    Ganesh, P; Kim, Jeongnim; Park, Changwon; Yoon, Mina; Reboredo, Fernando A; Kent, Paul R C

    2014-12-09

    Highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based on point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. The results demonstrate that the lithium-carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.

  8. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

    SciTech Connect

    Ganesh, P.; Kim, Jeongnim; Park, Changwon; Yoon, Mina; Reboredo, Fernando A.; Kent, Paul R. C.

    2014-11-03

    In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based on point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.

  9. Investigations on the efficiency of cardiac-gated methods for the acquisition of diffusion-weighted images

    NASA Astrophysics Data System (ADS)

    Nunes, Rita G.; Jezzard, Peter; Clare, Stuart

    2005-11-01

    Diffusion-weighted images are inherently very sensitive to motion. Pulsatile motion of the brain can give rise to artifactual signal attenuation leading to over-estimation of the apparent diffusion coefficients, even with snapshot echo planar imaging. Such miscalculations can result in erroneous estimates of the principal diffusion directions. Cardiac gating can be performed to confine acquisition to the quiet portion of the cycle. Although effective, this approach leads to significantly longer acquisition times. On the other hand, it has been demonstrated that pulsatile motion is not significant in regions above the corpus callosum. To reduce acquisition times and improve the efficiency of whole brain cardiac-gated acquisitions, the upper slices of the brain can be imaged during systole, reserving diastole for those slices most affected by pulsatile motion. The merits and disadvantages of this optimized approach are investigated here, in comparison to a more standard gating method and to the non-gated approach.

  10. Spatially constrained incoherent motion method improves diffusion-weighted MRI signal decay analysis in the liver and spleen

    PubMed Central

    Taimouri, Vahid; Afacan, Onur; Perez-Rossello, Jeannette M.; Callahan, Michael J.; Mulkern, Robert V.; Warfield, Simon K.; Freiman, Moti

    2015-01-01

    Purpose: To evaluate the effect of the spatially constrained incoherent motion (SCIM) method on improving the precision and robustness of fast and slow diffusion parameter estimates from diffusion-weighted MRI in liver and spleen in comparison to the independent voxel-wise intravoxel incoherent motion (IVIM) model. Methods: We collected diffusion-weighted MRI (DW-MRI) data of 29 subjects (5 healthy subjects and 24 patients with Crohn’s disease in the ileum). We evaluated parameters estimates’ robustness against different combinations of b-values (i.e., 4 b-values and 7 b-values) by comparing the variance of the estimates obtained with the SCIM and the independent voxel-wise IVIM model. We also evaluated the improvement in the precision of parameter estimates by comparing the coefficient of variation (CV) of the SCIM parameter estimates to that of the IVIM. Results: The SCIM method was more robust compared to IVIM (up to 70% in liver and spleen) for different combinations of b-values. Also, the CV values of the parameter estimations using the SCIM method were significantly lower compared to repeated acquisition and signal averaging estimated using IVIM, especially for the fast diffusion parameter in liver (CVIV IM = 46.61 ± 11.22, CVSCIM = 16.85 ± 2.160, p < 0.001) and spleen (CVIV IM = 95.15 ± 19.82, CVSCIM = 52.55 ± 1.91, p < 0.001). Conclusions: The SCIM method characterizes fast and slow diffusion more precisely compared to the independent voxel-wise IVIM model fitting in the liver and spleen. PMID:25832079

  11. On the construction of a ground truth framework for evaluating voxel-based diffusion tensor MRI analysis methods.

    PubMed

    Van Hecke, Wim; Sijbers, Jan; De Backer, Steve; Poot, Dirk; Parizel, Paul M; Leemans, Alexander

    2009-07-01

    Although many studies are starting to use voxel-based analysis (VBA) methods to compare diffusion tensor images between healthy and diseased subjects, it has been demonstrated that VBA results depend heavily on parameter settings and implementation strategies, such as the applied coregistration technique, smoothing kernel width, statistical analysis, etc. In order to investigate the effect of different parameter settings and implementations on the accuracy and precision of the VBA results quantitatively, ground truth knowledge regarding the underlying microstructural alterations is required. To address the lack of such a gold standard, simulated diffusion tensor data sets are developed, which can model an array of anomalies in the diffusion properties of a predefined location. These data sets can be employed to evaluate the numerous parameters that characterize the pipeline of a VBA algorithm and to compare the accuracy, precision, and reproducibility of different post-processing approaches quantitatively. We are convinced that the use of these simulated data sets can improve the understanding of how different diffusion tensor image post-processing techniques affect the outcome of VBA. In turn, this may possibly lead to a more standardized and reliable evaluation of diffusion tensor data sets of large study groups with a wide range of white matter altering pathologies. The simulated DTI data sets will be made available online (http://www.dti.ua.ac.be).

  12. A finite analytic method for solving the 2-D time-dependent advection diffusion equation with time-invariant coefficients

    NASA Astrophysics Data System (ADS)

    Lowry, Thomas; Li, Shu-Guang

    2005-02-01

    Difficulty in solving the transient advection-diffusion equation (ADE) stems from the relationship between the advection derivatives and the time derivative. For a solution method to be viable, it must account for this relationship by being accurate in both space and time. This research presents a unique method for solving the time-dependent ADE that does not discretize the derivative terms but rather solves the equation analytically in the space-time domain. The method is computationally efficient and numerically accurate and addresses the common limitations of numerical dispersion and spurious oscillations that can be prevalent in other solution methods. The method is based on the improved finite analytic (IFA) solution method [Lowry TS, Li S-G. A characteristic based finite analytic method for solving the two-dimensional steady-state advection-diffusion equation. Water Resour Res 38 (7), 10.1029/2001WR000518] in space coupled with a Laplace transformation in time. In this way, the method has no Courant condition and maintains accuracy in space and time, performing well even at high Peclet numbers. The method is compared to a hybrid method of characteristics, a random walk particle tracking method, and an Eulerian-Lagrangian Localized Adjoint Method using various degrees of flow-field heterogeneity across multiple Peclet numbers. Results show the IFALT method to be computationally more efficient while producing similar or better accuracy than the other methods.

  13. Validation of a modified Kirby-Bauer disk diffusion method for metronidazole susceptibility testing of Helicobacter pylori.

    PubMed

    Midolo, P D; Turnidge, J; Lambert, J R; Bell, J M

    1995-03-01

    Triple antimicrobial therapy that includes metronidazole has been recommended as a first-line therapy for Helicobacter pylori because it has the highest eradication rates. However, resistance in H. pylori to metronidazole has been reported worldwide and its presence may reduce the efficacy of triple therapy. Various methods for testing H. pylori against metronidazole have been used including agar dilution, disk diffusion and the Etest but there has been little standardization of methods. One hundred isolates of H. pylori from different patients were tested for susceptibility to metronidazole by agar dilution, Etest and disk diffusion (5 micrograms disk). The agar dilution results confirmed the MIC susceptibility breakpoint to be < or = 8 micrograms/ml. Using this breakpoint there was close agreement (98%) between Etest and agar dilution results. For susceptible strains, MICs by E-test were generally one twofold dilution lower. Using the error-rate bounded method, agreement between disk diffusion zone diameter and MIC was 98% for agar dilution with breakpoints of > or = 12 mm and < or = 8 micrograms/ml and 100% for Etest with breakpoints of > or = 12 mm and < or = 8 micrograms/ml. The Etest discriminated better than agar dilution between susceptible and resistant strains and was simple to perform. The disk diffusion test is a reliable and cheaper alternative to the Etest with susceptibility being a zone diameter > or = 12 mm with a 5 micrograms disk. The prevalence of metronidazole resistance in this study was 40% by Etest.

  14. Hybrid Multiscale Finite Volume Method for Advection-Diffusion Equations Subject to Heterogeneous Reactive Boundary Conditions

    SciTech Connect

    Barajas-Solano, David A.; Tartakovsky, A. M.

    2016-10-13

    We present a hybrid scheme for the coupling of macro and microscale continuum models for reactive contaminant transport in fractured and porous media. The transport model considered is the advection-dispersion equation, subject to linear heterogeneous reactive boundary conditions. The Multiscale Finite Volume method (MsFV) is employed to define an approximation to the microscale concentration field defined in terms of macroscopic or \\emph{global} degrees of freedom, together with local interpolator and corrector functions capturing microscopic spatial variability. The macroscopic mass balance relations for the MsFV global degrees of freedom are coupled with the macroscopic model, resulting in a global problem for the simultaneous time-stepping of all macroscopic degrees of freedom throughout the domain. In order to perform the hybrid coupling, the micro and macroscale models are applied over overlapping subdomains of the simulation domain, with the overlap denoted as the handshake subdomain $\\Omega^{hs}$, over which continuity of concentration and transport fluxes between models is enforced. Continuity of concentration is enforced by posing a restriction relation between models over $\\Omega^{hs}$. Continuity of fluxes is enforced by prolongating the macroscopic model fluxes across the boundary of $\\Omega^{hs}$ to microscopic resolution. The microscopic interpolator and corrector functions are solutions to local microscopic advection-diffusion problems decoupled from the global degrees of freedom and from each other by virtue of the MsFV decoupling ansatz. The error introduced by the decoupling ansatz is reduced iteratively by the preconditioned GMRES algorithm, with the hybrid MsFV operator serving as the preconditioner.

  15. Preparation and characterization of solid lipid nanoparticles containing cyclosporine by the emulsification-diffusion method

    PubMed Central

    Urbán-Morlán, Zaida; Ganem-Rondero, Adriana; Melgoza-Contreras, Luz María; Escobar-Chávez, José Juan; Nava-Arzaluz, María Guadalupe; Quintanar-Guerrero, David

    2010-01-01

    Solid lipid nanoparticles (SLNs) have been used for carrying different therapeutic agents because they improve absorption and bioavailability. The aim of the study was to prepare lipidic nanoparticles containing cyclosporine (CyA) by the emulsification-diffusion method and to study their physicochemical stability. Glyceryl behenate (Compritol® ATO 888) and lauroyl macrogolglycerides (Gelucire® 44/14) were used as carrier materials. Nanoparticles with good stability were obtained with Gelucire®, while it was difficult to obtain stable systems with Compritol®. Systems with Gelucire® were characterized by particle size, Z-potential, differential scanning calorimetry (DSC), scanning electron microscopy (SEM), entrapment efficiency and in vitro release. Particle size and Z-potential were evaluated for at least three months. With a high CyA content (≥60 mg) in Gelucire® SLNs, variations in size were greater and particle size also increased over time in all batches; this effect may have been caused by a probable expulsion of the drug due to the lipid’s partial rearrangement. While the Z-potential decreased 10 mV after three months, this effect may be explained by the superficial properties of the drug that make the molecules to be preferably oriented at the solid-liquid interface, causing a change in the net charge of the particle. SEM confirmed size and shape of the nanoparticles. DSC studies evidenced that CyA affects the lipid structure by a mechanism still unknown. The entrapment efficiency was higher than 92%, and CyA release from SLNs was relatively fast (99.60% in 45 min). PMID:20856836

  16. In vitro antifungal susceptibility testing of Scopulariopsis brevicaulis strains using agar diffusion method.

    PubMed

    Skóra, Magdalena; Macura, Anna B

    2011-01-01

    The genus Scopulariopsis is a common soil saprotroph and has been isolated from air, organic waste and also from plant, animal and human tissues. Scopulariopsis has mainly been associated in humans with superficial mycoses, but it has also been described as the cause of subcutaneous and invasive infections. The most common aetiological agent of infections in humans is Scopulariopsis brevicaulis. This species has been reported to be resistant in vitro to broad-spectrum antifungal agents available today. The aim of the study was to establish in vitro antifungal susceptibility of 35 S. brevicaulis strains against amphotericin B (AMB), flucytosine (FC), caspofungin (CAS), terbinafine (TER), ciclopirox (CIC), voriconazole (VOR), clotrimazole (CTR), miconazole (MCZ), econazole (ECO), ketoconazole (KET), itraconazole (ITR), and fluconazole (FLU). Antifungal susceptibility tests were evaluated by an agar diffusion method (Neo-Sensitabs, Rosco, Denmark). AMB, FC, CAS, ITR and FLU showed no antifungal activity against S. brevicaulis. TER, CIC, CTR, KET, VOR, ECO, and MCZ revealed inhibitory activity for S. brevicaulis, but it varied for each of the drugs. The best antifungal effect was observed for TER and CIC. All isolates had large inhibition zones for TER and CIC. CTR was also inhibitory for all tested S. brevicaulis isolates, but the diameters of inhibition zones were smaller than for TER and CIC. Nearly 89% isolates showed inhibition zones for KET and the mean diameter of the inhibition zone was comparable to CTR. The least antifungal activity exhibited VQR, ECO and MCZ. Because of the multiresistance of S. brevicaulis, infections due to this species may not respond to particular antifungal treatment and other therapeutic approaches should be considered, e.g., combined therapy and/or surgery.

  17. A modified method for diffusive monitoring of 3-ethenylpyridine as a specific marker of environmental tobacco smoke

    NASA Astrophysics Data System (ADS)

    Kuusimäki, Leea; Peltonen, Kimmo; Vainiotalo, Sinikka

    A previously introduced method for monitoring environmental tobacco smoke (ETS) was further validated. The method is based on diffusive sampling of a vapour-phase marker, 3-ethenylpyridine (3-EP), with 3 M passive monitors (type 3500). Experiments were done in a dynamic chamber to assess diffusive sampling in comparison with active sampling in charcoal tubes or XAD-4 tubes. The sampling rate for 3-EP collected on the diffusive sampler was 23.1±0.6 mL min -1. The relative standard deviation for parallel samples ( n=6) ranged from 4% to 14% among experiments ( n=9). No marked reverse diffusion of 3-EP was detected nor any significant effect of relative humidity at 20%, 50% or 80%. The diffusive sampling of 3-EP was validated in field measurements in 15 restaurants in comparison with 3-EP and nicotine measurements using active sampling. The 3-EP concentration in restaurants ranged from 0.01 to 9.8 μg m -3, and the uptake rate for 3-EP based on 92 parallel samples was 24.0±0.4 mL min -1. A linear correlation ( r=0.98) was observed between 3-EP and nicotine concentrations, the average ratio of 3-EP to nicotine being 1:8. Active sampling of 3-EP and nicotine in charcoal tubes provided more reliable results than sampling in XAD-4 tubes. All samples were analysed using gas chromatography-mass spectrometry after elution with a 15% solution of pyridine in toluene. For nicotine, the limit of quantification of the charcoal tube method was 4 ng per sample, corresponding to 0.04 μg m -3 for an air sample of 96 L. For 3-EP, the limit of quantification of the diffusive method was 0.5-1.0 ng per sample, corresponding to 0.04-0.09 μg m -3 for 8 h sampling. The diffusive method proved suitable for ETS monitoring, even at low levels of ETS.

  18. The Conforming Virtual Element Method for the convection-diffusion-reaction equation with variable coeffcients.

    SciTech Connect

    Manzini, Gianmarco; Cangiani, Andrea; Sutton, Oliver

    2014-10-02

    This document describes the conforming formulations for virtual element approximation of the convection-reaction-diffusion equation with variable coefficients. Emphasis is given to construction of the projection operators onto polynomial spaces of appropriate order. These projections make it possible the virtual formulation to achieve any order of accuracy. We present the construction of the internal and the external formulation. The difference between the two is in the way the projection operators act on the derivatives (laplacian, gradient) of the partial differential equation. For the diffusive regime we prove the well-posedness of the external formulation and we derive an estimate of the approximation error in the H1-norm. For the convection-dominated case, the streamline diffusion stabilization (aka SUPG) is also discussed.

  19. FRACTIONAL PEARSON DIFFUSIONS.

    PubMed

    Leonenko, Nikolai N; Meerschaert, Mark M; Sikorskii, Alla

    2013-07-15

    Pearson diffusions are governed by diffusion equations with polynomial coefficients. Fractional Pearson diffusions are governed by the corresponding time-fractional diffusion equation. They are useful for modeling sub-diffusive phenomena, caused by particle sticking and trapping. This paper provides explicit strong solutions for fractional Pearson diffusions, using spectral methods. It also presents stochastic solutions, using a non-Markovian inverse stable time change.

  20. FRACTIONAL PEARSON DIFFUSIONS

    PubMed Central

    Leonenko, Nikolai N.; Meerschaert, Mark M.

    2013-01-01

    Pearson diffusions are governed by diffusion equations with polynomial coefficients. Fractional Pearson diffusions are governed by the corresponding time-fractional diffusion equation. They are useful for modeling sub-diffusive phenomena, caused by particle sticking and trapping. This paper provides explicit strong solutions for fractional Pearson diffusions, using spectral methods. It also presents stochastic solutions, using a non-Markovian inverse stable time change. PMID:23626377

  1. A new method of real-time signal extraction for diffuse reflection laser ranging based on Genetic Algorithm

    NASA Astrophysics Data System (ADS)

    Zhao, Peng; Zhang, Yan; Qian, Weiping

    2015-10-01

    Diffuse reflection laser ranging is one of the feasible ways to realize high precision measurement of the space debris. However, the weak echo of diffuse reflection results in a poor signal-to-noise ratio. Thus, it is difficult to realize the real-time signal extraction for diffuse reflection laser ranging when echo signal photons are blocked by a large amount of noise photons. The Genetic Algorithm, originally evolved from the idea of natural selection process, is a heuristic search algorithm which is famous for the adaptive optimization and the global search ability. To the best of our knowledge, this paper is the first one to propose a method of real-time signal extraction for diffuse reflection laser ranging based on Genetic Algorithm. The extraction results are regarded as individuals in the population. Besides, short-term linear fitting degree and data correlation level are used as selection criteria to search for an optimal solution. Fine search in the real-time data part gives the suitable new data quickly in real-time signal extraction. A coarse search in both historical data and real-time data after the fine search is designed. The co-evolution of both parts can increase the search accuracy of real-time data as well as the precision of the history data. Simulation experiments show that our method has good signal extraction capability in poor signal-to-noise ratio circumstance, especially for data with high correlation.

  2. Method for estimating closed-form solutions of the light diffusion equation for turbid media of any boundary shape

    PubMed Central

    Alqasemi, Umar; Salehi, Hassan S.; Zhu, Quing

    2016-01-01

    This paper reports a method of estimating an approximate closed-form solution to the light diffusion equation for any type of geometry involving Dirichlet’s boundary condition with known source location. It is based on estimating the optimum locations of multiple imaginary point sources to cancel the fluence at the extrapolated boundary by constrained optimization using a genetic algorithm. The mathematical derivation of the problem to approach the optimum solution for the direct-current type of diffuse optical systems is described in detail. Our method is first applied to slab geometry and compared with a truncated series solution. After that, it is applied to hemispherical geometry and compared with Monte Carlo simulation results. The method provides a fast and sufficiently accurate fluence distribution for optical reconstruction. PMID:26831771

  3. Simulation of diffuse photon migration in tissue by a Monte Carlo method derived from the optical scattering of spheroids.

    PubMed

    Hart, Vern P; Doyle, Timothy E

    2013-09-01

    A Monte Carlo method was derived from the optical scattering properties of spheroidal particles and used for modeling diffuse photon migration in biological tissue. The spheroidal scattering solution used a separation of variables approach and numerical calculation of the light intensity as a function of the scattering angle. A Monte Carlo algorithm was then developed which utilized the scattering solution to determine successive photon trajectories in a three-dimensional simulation of optical diffusion and resultant scattering intensities in virtual tissue. Monte Carlo simulations using isotropic randomization, Henyey-Greenstein phase functions, and spherical Mie scattering were additionally developed and used for comparison to the spheroidal method. Intensity profiles extracted from diffusion simulations showed that the four models differed significantly. The depth of scattering extinction varied widely among the four models, with the isotropic, spherical, spheroidal, and phase function models displaying total extinction at depths of 3.62, 2.83, 3.28, and 1.95 cm, respectively. The results suggest that advanced scattering simulations could be used as a diagnostic tool by distinguishing specific cellular structures in the diffused signal. For example, simulations could be used to detect large concentrations of deformed cell nuclei indicative of early stage cancer. The presented technique is proposed to be a more physical description of photon migration than existing phase function methods. This is attributed to the spheroidal structure of highly scattering mitochondria and elongation of the cell nucleus, which occurs in the initial phases of certain cancers. The potential applications of the model and its importance to diffusive imaging techniques are discussed.

  4. Comparison of diffusion- and pumped-sampling methods to monitor volatile organic compounds in ground water, Massachusetts Military Reservation, Cape Cod, Massachusetts, July 1999-December 2002

    USGS Publications Warehouse

    Archfield, Stacey A.; LeBlanc, Denis R.

    2005-01-01

    To evaluate diffusion sampling as an alternative method to monitor volatile organic compound (VOC) concentrations in ground water, concentrations in samples collected by traditional pumped-sampling methods were compared to concentrations in samples collected by diffusion-sampling methods for 89 monitoring wells at or near the Massachusetts Military Reservation, Cape Cod. Samples were analyzed for 36 VOCs. There was no substantial difference between the utility of diffusion and pumped samples to detect the presence or absence of a VOC. In wells where VOCs were detected, diffusion-sample concentrations of tetrachloroethene (PCE) and trichloroethene (TCE) were significantly lower than pumped-sample concentrations. Because PCE and TCE concentrations detected in the wells dominated the calculation of many of the total VOC concentrations, when VOC concentrations were summed and compared by sampling method, visual inspection also showed a downward concentration bias in the diffusion-sample concentration. The degree to which pumped- and diffusion-sample concentrations agreed was not a result of variability inherent within the sampling methods or the diffusion process itself. A comparison of the degree of agreement in the results from the two methods to 13 quantifiable characteristics external to the sampling methods offered only well-screen length as being related to the degree of agreement between the methods; however, there is also evidence to indicate that the flushing rate of water through the well screen affected the agreement between the sampling methods. Despite poor agreement between the concentrations obtained by the two methods at some wells, the degree to which the concentrations agree at a given well is repeatable. A one-time, well-bywell comparison between diffusion- and pumped-sampling methods could determine which wells are good candidates for the use of diffusion samplers. For wells with good method agreement, the diffusion-sampling method is a time

  5. Spectrophotometric Method for Differentiation of Human Skin Melanoma. I. Optical Diffuse Reflection Coefficient

    NASA Astrophysics Data System (ADS)

    Petruk, V. G.; Ivanov, A. P.; Kvaternyuk, S. M.; Barun, V. V.

    2016-03-01

    We have designed an experimental setup, based on two integrating spheres, that lets us measure the optical diffuse reflectance spectra (diffuse reflection coefficient vs. wavelength) of human skin quickly under clinical conditions in vivo. For the wavelength interval 520-1100 nm, we give the values of the diffuse reflection coefficient for healthy tissue, skin with a benign nevus, and skin with a malignant melanoma for a large group of test subjects. We experimentally established a number of wavelengths in the red-near IR region of the spectrum which can be used for early differential diagnosis of nevi and melanoma in patient cancer screening. According to the Kramer-Welch test, the probability of the diffuse reflection coefficient for skin with melanoma and a nevus having different distributions is >0.94, and at many wavelengths it is >0.999. By solving the inverse problem, we estimated the changes in a number of structural and biophysical parameters of the tissue on going from healthy skin to nevus and melanoma. The results obtained can provide a basis for developing a clinical approach to identifying the risk of malignant transformation of the skin before surgery and histological analysis of the tissue.

  6. Comparison of the antibacterial activity of chelating agents using the agar diffusion method

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The agar diffusion assay was used to examine antibacterial activity of 2 metal chelators. Concentrations of 0 to 40 mM of ethylenediaminetetraacetic acid (EDTA) and ethylenediamine-N,N’-disuccinic acid (EDDS) were prepared in 1.0 M potassium hydroxide (KOH). The pH of the solutions was adjusted to 1...

  7. Antibacterial properties of Au doped polycarbonate synthesized by gamma radiation assisted diffusion method

    NASA Astrophysics Data System (ADS)

    Hareesh, K.; Deore, Avinash V.; Dahiwale, S. S.; Sanjeev, Ganesh; Kanjilal, D.; Ojha, Sunil; Dhole, N. A.; Kodam, K. M.; Bhoraskar, V. N.; Dhole, S. D.

    2015-07-01

    Gold (Au)-Polycarbonate (PC) matrix was prepared by gamma radiation assisted diffusion of Au nanoparticles in PC matrix. UV-Visible spectroscopy showed the surface plasmon resonance around 550 nm which corresponds to Au and this peak shift towards lower wavelength i.e. blue shift indicating the decrease in particle size of Au. Rutherford Backscattering (RBS) experiment confirmed the diffusion of Au in PC and depth of diffusion is found to be around 0.85 μm. X-ray Diffractogram (XRD) results also revealed the diffusion of Au in PC where the peak observed at 2θ∼38.29° which correspond to the FCC structure. Scanning Electron Microscope (SEM) images showed the hexagonal shaped Au nanoparticles and average particle size is found to be around 110 nm. These samples also showed anti-bacterial properties with both gram positive and gram negative bacteria's and revealed the inhibition of the overall growth of the bacteria with gamma dose.

  8. Scanning thermal probe microscope method for the determination of thermal diffusivity of nanocomposite thin films

    NASA Astrophysics Data System (ADS)

    Varandani, Deepak; Agarwal, Khushboo; Brugger, Juergen; Mehta, Bodh Raj

    2016-08-01

    A commercial scanning thermal microscope has been upgraded to facilitate its use in estimating the radial thermal diffusivity of thin films close to room temperature. The modified setup includes a microcontroller driven microhotplate coupled with a Bluetooth module for wireless control. The microcontroller board (Arduino Leonardo) is used to generate a bias of suitable voltage amplitude and pulse duration which is applied across the microhotplate contact pads. A corresponding heat pulse from the Pt heating element (1 mm2) embedded within the microhotplate is delivered to the lower surface of the thin film (25 mm2) deposited over it. The large difference in the dimensions of the heating source and the thin film surface causes heat to flow radially outwards on the top surface of the latter. The decay of this radial heat wave as it flows outwards is recorded by the scanning thermal microscope in terms of temperature-time (T-t) profiles at varying positions around the central heating zone. A fitting procedure is suggested to extract the thermal diffusivity value from the array of T-t profiles. The efficacy of the above setup has been established by evaluating the thermal diffusivities of Bi2Te3 and Bi2Te3:Si thin film samples. Further, with only minor alterations in design the capabilities of the above setup can be extended to estimate the axial thermal diffusivity and specific heat of thin films, as a function of temperature.

  9. Scanning thermal probe microscope method for the determination of thermal diffusivity of nanocomposite thin films.

    PubMed

    Varandani, Deepak; Agarwal, Khushboo; Brugger, Juergen; Mehta, Bodh Raj

    2016-08-01

    A commercial scanning thermal microscope has been upgraded to facilitate its use in estimating the radial thermal diffusivity of thin films close to room temperature. The modified setup includes a microcontroller driven microhotplate coupled with a Bluetooth module for wireless control. The microcontroller board (Arduino Leonardo) is used to generate a bias of suitable voltage amplitude and pulse duration which is applied across the microhotplate contact pads. A corresponding heat pulse from the Pt heating element (1 mm(2)) embedded within the microhotplate is delivered to the lower surface of the thin film (25 mm(2)) deposited over it. The large difference in the dimensions of the heating source and the thin film surface causes heat to flow radially outwards on the top surface of the latter. The decay of this radial heat wave as it flows outwards is recorded by the scanning thermal microscope in terms of temperature-time (T-t) profiles at varying positions around the central heating zone. A fitting procedure is suggested to extract the thermal diffusivity value from the array of T-t profiles. The efficacy of the above setup has been established by evaluating the thermal diffusivities of Bi2Te3 and Bi2Te3:Si thin film samples. Further, with only minor alterations in design the capabilities of the above setup can be extended to estimate the axial thermal diffusivity and specific heat of thin films, as a function of temperature.

  10. Lithium diffusion in polyether ether ketone and polyimide stimulated by in situ electron irradiation and studied by the neutron depth profiling method

    NASA Astrophysics Data System (ADS)

    Vacik, J.; Hnatowicz, V.; Attar, F. M. D.; Mathakari, N. L.; Dahiwale, S. S.; Dhole, S. D.; Bhoraskar, V. N.

    2014-10-01

    Diffusion of lithium from a LiCl aqueous solution into polyether ether ketone (PEEK) and polyimide (PI) assisted by in situ irradiation with 6.5 MeV electrons was studied by the neutron depth profiling method. The number of the Li atoms was found to be roughly proportional to the diffusion time. Regardless of the diffusion time, the measured depth profiles in PEEK exhibit a nearly exponential form, indicating achievement of a steady-state phase of a diffusion-reaction process specified in the text. The form of the profiles in PI is more complex and it depends strongly on the diffusion time. For the longer diffusion time, the profile consists of near-surface bell-shaped part due to Fickian-like diffusion and deeper exponential part.

  11. A comparison of gel diffusion, fluorescent antibody and virus isolation methods in experimental and natural cases of infectious bursal disease.

    PubMed Central

    Ide, P R

    1975-01-01

    In studies with chicks inoculated with the Sk-1 strain of infectious bursal agent the bursa of Fabricius was found to be the tissue of choice for virus isolation as well as for use in the fluorescent antibody test and the agar gel diffusion test. In separate experiments positive results were obtained until postinoculation days 3 or 4 by the agar gel diffusion test, 5 or 6 by the fluorescent antibody test and 14 by the virus isolation method, respectively. Bursas from chickens involved in seven natural outbreaks of infectious bursal disease were then examined by these three methods. Virus was isolated from six outbreaks and infectious bursal agent antigen was demonstrated in three by the agar gel diffusion test method and seven (three by direct examination and four after one passage in chicks) by the fluorescent antibody test method. Passage in chicks was required when nonspecific fluorescence complicated the interpretation of fluorescent antibody test results. Images Fig. 1. Fig. 2. Fig. 3. Fig. 4. PMID:164991

  12. Hybrid method for fast Monte Carlo simulation of diffuse reflectance from a multilayered tissue model with tumor-like heterogeneities.

    PubMed

    Zhu, Caigang; Liu, Quan

    2012-01-01

    We present a hybrid method that combines a multilayered scaling method and a perturbation method to speed up the Monte Carlo simulation of diffuse reflectance from a multilayered tissue model with finite-size tumor-like heterogeneities. The proposed method consists of two steps. In the first step, a set of photon trajectory information generated from a baseline Monte Carlo simulation is utilized to scale the exit weight and exit distance of survival photons for the multilayered tissue model. In the second step, another set of photon trajectory information, including the locations of all collision events from the baseline simulation and the scaling result obtained from the first step, is employed by the perturbation Monte Carlo method to estimate diffuse reflectance from the multilayered tissue model with tumor-like heterogeneities. Our method is demonstrated to shorten simulation time by several orders of magnitude. Moreover, this hybrid method works for a larger range of probe configurations and tumor models than the scaling method or the perturbation method alone.

  13. Comparative study of agar diffusion test and the NCCLS macrobroth method for in vitro susceptibility testing of Candida spp.

    PubMed

    Soni, L M; Burattini, M N; Pignatari, A C; Gompertz, O F; Colombo, A L

    1999-01-01

    We performed a prospective double-blind study to evaluate the correlation between inhibition zones obtained by a disk-diffusion test, using Neo-sensitabs of fluconazole (Rosco Diagnostica), and the MICs generated by the NCCLS macrobroth dilution assay. Eighty clinical isolates, representing 5 of the clinically relevant species of Candida, were tested simultaneously by both methods. A clear inverse correlation was found between the results obtained by both tests (r = -0.69). In addition, there was high degree of agreement between methods in the identification of susceptible isolates. However, the resistance definition by disk-diffusion test had a positive predictive value of only 17%. Our data support the hypothesis that Rosco Fluconazole Neo-sensitabs have potential as a screening test for the identification of Candida isolates susceptible to fluconazole. Resistant isolates should be further investigated by standardized broth procedures.

  14. Vapor diffusion method: Dependence of polymorphs and morphologies of calcium carbonate crystals on the depth of an aqueous solution

    NASA Astrophysics Data System (ADS)

    Liu, Qing; Wang, Hai-Shui; Zeng, Qiang

    2016-09-01

    The polymorph control of calcium carbonate by the vapor diffusion method is still a challenging issue because the resultant crystal polymorphs and morphologies highly depend on the experimental setup. In this communication, we demonstrated that the concentration gradients accompanied by the vapor diffusion method (ammonia concentration, pH and the ratio of CO32- to Ca2+ are changed with the solution depth and with time) are probably the main reasons to significantly affect the formation of crystal polymorphs. Raman, SEM and XRD data showed that calcite and vaterite crystals were preferred to nucleate and grow in the upper or the lower areas of aqueous solution respectively. The above results can be explained by the gradient effect.

  15. A Spectral Legendre-Gauss-Lobatto Collocation Method for a Space-Fractional Advection Diffusion Equations with Variable Coefficients

    NASA Astrophysics Data System (ADS)

    Bhrawy, A. H.; Baleanu, D.

    2013-10-01

    An efficient Legendre-Gauss-Lobatto collocation (L-GL-C) method is applied to solve the space-fractional advection diffusion equation with nonhomogeneous initial-boundary conditions. The Legendre-Gauss-Lobatto points are used as collocation nodes for spatial fractional derivatives as well as the Caputo fractional derivative. This approach is reducing the problem to the solution of a system of ordinary differential equations in time which can be solved by using any standard numerical techniques. The proposed numerical solutions when compared with the exact solutions reveal that the obtained solution produces highly accurate results. The results show that the proposed method has high accuracy and is efficient for solving the space-fractional advection diffusion equation.

  16. Determination of space-dependent radiative properties in diffuse optical tomography using a wavelet multi-scale method

    NASA Astrophysics Data System (ADS)

    Dubot, F.; Favennec, Y.; Rousseau, B.; Rousse, D. R.

    2016-01-01

    This paper deals with the estimation of radiative property distributions of participating media from a set of light sources and sensors located on the boundaries of a medium. This is the so-called diffuse optical tomography problem. Such a non-linear ill-posed inverse problem is solved through the minimization of a cost function which depends on the discrepancy, in a least-square sense, between some measurements and associated predictions. In the present case, predictions are based on the diffuse approximation model in the frequency domain while the optimization problem is solved by the L-BFGS algorithm. To cope with the local convergence property of the optimizer and the presence of numerous local minima in the cost function, a wavelet multi-scale method associated with the L-BFGS method is designed.

  17. Development of a Compact Snow Crystal Formation Apparatus Based on a Diffusion Method Using a Peltier Device

    NASA Astrophysics Data System (ADS)

    Kojima, Shinsuke; Endo, Hiroshi; Seki, Mitsuo

    We developed a compact snow crystal formation apparatus based on a diffusion method using a Peltier device. This apparatus does not need an assemblage and is small enough to be operated on a desk. Anyone can easily observe snow crystal formation in a normal temperature room. We adopted a diffusion method because the shape enable that several people can simultaneously observe the snow crystal formation from above. To estimate a performance of the apparatus, we investigated temperature profiles in the apparatus by measurement and simulations with (Case 1) and without (Case 2) natural convection. As results of the simulations, Case 1 and Case 2 reached a steady state. In each case, temperature stratification condition was formed in lower part of the apparatus. From the comparison of the results of measurement and simulations, finally, it is concluded that there is a natural convection, but the air current is not so strong as disturbing the temperature stratification condition in the apparatus.

  18. Rotational self-diffusion in suspensions of charged particles: simulations and revised Beenakker-Mazur and pairwise additivity methods.

    PubMed

    Makuch, Karol; Heinen, Marco; Abade, Gustavo Coelho; Nägele, Gerhard

    2015-07-14

    We present a comprehensive joint theory-simulation study of rotational self-diffusion in suspensions of charged particles whose interactions are modeled by the generic hard-sphere plus repulsive Yukawa (HSY) pair potential. Elaborate, high-precision simulation results for the short-time rotational self-diffusion coefficient, D(r), are discussed covering a broad range of fluid-phase state points in the HSY model phase diagram. The salient trends in the behavior of D(r) as a function of reduced potential strength and range, and particle concentration, are systematically explored and physically explained. The simulation results are further used to assess the performance of two semi-analytic theoretical methods for calculating D(r). The first theoretical method is a revised version of the classical Beenakker-Mazur method (BM) adapted to rotational diffusion which includes a highly improved treatment of the salient many-particle hydrodynamic interactions. The second method is an easy-to-implement pairwise additivity (PA) method in which the hydrodynamic interactions are treated on a full two-body level with lubrication corrections included. The static pair correlation functions required as the only input to both theoretical methods are calculated using the accurate Rogers-Young integral equation scheme. While the revised BM method reproduces the general trends of the simulation results, it significantly underestimates D(r). In contrast, the PA method agrees well with the simulation results for D(r) even for intermediately concentrated systems. A simple improvement of the PA method is presented which is applicable for large concentrations.

  19. Combining ab initio computations, neural networks, and diffusion Monte Carlo: An efficient method to treat weakly bound molecules

    NASA Astrophysics Data System (ADS)

    Brown, David F. R.; Gibbs, Mark N.; Clary, David C.

    1996-11-01

    We describe a new method to calculate the vibrational ground state properties of weakly bound molecular systems and apply it to (HF)2 and HF-HCl. A Bayesian Inference neural network is used to fit an analytic function to a set of ab initio data points, which may then be employed by the quantum diffusion Monte Carlo method to produce ground state vibrational wave functions and properties. The method is general and relatively simple to implement and will be attractive for calculations on systems for which no analytic potential energy surface exists.

  20. Rotational self-diffusion in suspensions of charged particles: simulations and revised Beenakker-Mazur and pairwise additivity methods

    NASA Astrophysics Data System (ADS)

    Makuch, Karol; Heinen, Marco; Abade, Gustavo Coelho; Nägele, Gerhard

    To the present day, the Beenakker-Mazur (BM) method is the most comprehensive statistical physics approach to the calculation of short-time transport properties of colloidal suspensions. A revised version of the BM method with an improved treatment of hydrodynamic interactions is presented and evaluated regarding the rotational short-time self-diffusion coefficient, $D^r$ , of suspensions of charged particles interacting by a hard-sphere plus screened Coulomb (Yukawa) pair potential. To assess the accuracy of the method, elaborate simulations of $D^r$ have been performed, covering a broad range of interaction parameters and particle concentrations. The revised BM method is compared in addition with results by a simplifying pairwise additivity (PA) method in which the hydrodynamic interactions are treated on a two-body level. The static pair correlation functions re- quired as input to both theoretical methods are calculated using the Rogers-Young integral equation scheme. While the revised BM method reproduces the general trends of the simulation results, it systematically and significantly underestimates the rotational diffusion coefficient. The PA method agrees well with the simulation data at lower volume fractions, but at higher concentrations $D^r$ is likewise underestimated. For a fixed value of the pair potential at mean particle distance comparable to the thermal energy, $D^r$ increases strongly with increasing Yukawa potential screening parameter.

  1. Diffusion archeology for diffusion progression history reconstruction.

    PubMed

    Sefer, Emre; Kingsford, Carl

    2016-11-01

    Diffusion through graphs can be used to model many real-world processes, such as the spread of diseases, social network memes, computer viruses, or water contaminants. Often, a real-world diffusion cannot be directly observed while it is occurring - perhaps it is not noticed until some time has passed, continuous monitoring is too costly, or privacy concerns limit data access. This leads to the need to reconstruct how the present state of the diffusion came to be from partial diffusion data. Here, we tackle the problem of reconstructing a diffusion history from one or more snapshots of the diffusion state. This ability can be invaluable to learn when certain computer nodes are infected or which people are the initial disease spreaders to control future diffusions. We formulate this problem over discrete-time SEIRS-type diffusion models in terms of maximum likelihood. We design methods that are based on submodularity and a novel prize-collecting dominating-set vertex cover (PCDSVC) relaxation that can identify likely diffusion steps with some provable performance guarantees. Our methods are the first to be able to reconstruct complete diffusion histories accurately in real and simulated situations. As a special case, they can also identify the initial spreaders better than the existing methods for that problem. Our results for both meme and contaminant diffusion show that the partial diffusion data problem can be overcome with proper modeling and methods, and that hidden temporal characteristics of diffusion can be predicted from limited data.

  2. Autonomous basin climbing method with sampling of multiple transition pathways: application to anisotropic diffusion of point defects in hcp Zr.

    PubMed

    Fan, Yue; Yip, Sidney; Yildiz, Bilge

    2014-09-10

    This paper presents an extension of the autonomous basin climbing (ABC) method, an atomistic activation-relaxation technique for sampling transition-state pathways. The extended algorithm (ABC-E) allows the sampling of multiple transition pathways from a given minimum, with the additional feature of identifying the pathways in the order of increasing activation barriers, thereby prioritizing them according to their importance in the kinetics. Combined with on-the-fly kinetic Monte Carlo calculations, the method is applied to simulate the anisotropic diffusion of point defects in hcp Zr. Multiple migration mechanisms are identified for both the interstitials and vacancies, and benchmarked against results from other methods in the literature. The self-interstitial atom (SIA) diffusion kinetics shows a maximum anisotropy at intermediate temperatures (400~700 K), a non-monotonic behavior that we explain to originate from the stabilities and migration mechanisms associated with different SIA sites. The accuracy of the ABC-E calculations is validated, in part, by the existing results in the literature for point defect diffusion in hcp Zr, and by benchmarking against analytical results on a hypothetical rough-energy landscape. Lastly, sampling prioritization and computational efficiency are demonstrated through a direct comparison between the ABC-E and the activation relaxation technique.

  3. Diffusion Kurtosis Imaging of Substantia Nigra Is a Sensitive Method for Early Diagnosis and Disease Evaluation in Parkinson's Disease

    PubMed Central

    Zhang, Guohua; Zhang, Yuhu; Zhang, Chengguo; Wang, Yukai; Ma, Guixian; Nie, Kun; Xie, Haiqun; Liu, Jianping; Wang, Lijuan

    2015-01-01

    Background. To diagnose Parkinson disease (PD) in an early stage and accurately evaluate severity, it is important to develop a sensitive method for detecting structural changes in the substantia nigra (SN). Method. Seventy-two untreated patients with early PD and 72 healthy controls underwent diffusion tensor and diffusion kurtosis imaging. Regions of interest were drawn in the rostral, middle, and caudal SN by two blinded and independent raters. Mean kurtosis (MK) and fractional anisotropy in the SN were compared between the groups. Receiver operating characteristic (ROC) and Spearman correlation analyses were used to compare the diagnostic accuracy and correlate imaging findings with Hoehn-Yahr (H-Y) staging and part III of the Unified Parkinson's Disease Rating Scale (UPDRS-III). Result. MK in the SN was increased significantly in PD patients compared with healthy controls. The area under the ROC curve was 0.976 for MK in the SN (sensitivity, 0.944; specificity, 0.917). MK in the SN had a positive correlation with H-Y staging and UPDRS-III scores. Conclusion. Diffusion kurtosis imaging is a sensitive method for PD diagnosis and severity evaluation. MK in the SN is a potential biomarker for imaging studies of early PD that can be widely used in clinic. PMID:26770867

  4. Asymptotic-preserving methods for hyperbolic and transport equations with random inputs and diffusive scalings

    SciTech Connect

    Jin, Shi; Xiu, Dongbin; Zhu, Xueyu

    2015-05-15

    In this paper we develop a set of stochastic numerical schemes for hyperbolic and transport equations with diffusive scalings and subject to random inputs. The schemes are asymptotic preserving (AP), in the sense that they preserve the diffusive limits of the equations in discrete setting, without requiring excessive refinement of the discretization. Our stochastic AP schemes are extensions of the well-developed deterministic AP schemes. To handle the random inputs, we employ generalized polynomial chaos (gPC) expansion and combine it with stochastic Galerkin procedure. We apply the gPC Galerkin scheme to a set of representative hyperbolic and transport equations and establish the AP property in the stochastic setting. We then provide several numerical examples to illustrate the accuracy and effectiveness of the stochastic AP schemes.

  5. Intrauterine device for laser light diffusion and method of using the same

    DOEpatents

    Tadir, Yona; Berns, Michael W.; Svaasand, Lars O.; Tromberg, Bruce J.

    1995-01-01

    An improved device for delivery of photoenergy from a light source, such as a laser, into a uterine cavity for photodynamic therapy is comprised of a plurality of optic fibers, which are bundled together and inserted into the uterine cavity by means of a uterine cannula. The cannula is positioned within the uterine cavity at a preferred location and then withdrawn thereby allowing the plurality of optic fibers to splay or diverge one from the other within the cavity. Different portions of the distal tip of the optic fiber is provided with a light diffusing tip, the remainder being provided with a nondiffusing tip portion. The fiber optic shape, as well as the segment which is permitted to actively diffuse light through the tip, is selected in order to provide a more uniform exposure intensity of the photo energy or at least sufficient radiation directed to each segment of the uterine walls.

  6. Intrauterine device for laser light diffusion and method of using the same

    DOEpatents

    Tadir, Y.; Berns, M.W.; Svaasand, L.O.; Tromberg, B.J.

    1995-12-26

    An improved device for delivery of photoenergy from a light source, such as a laser, into a uterine cavity for photodynamic therapy is comprised of a plurality of optic fibers, which are bundled together and inserted into the uterine cavity by means of a uterine cannula. The cannula is positioned within the uterine cavity at a preferred location and then withdrawn thereby allowing the plurality of optic fibers to splay or diverge one from the other within the cavity. Different portions of the distal tip of the optic fiber is provided with a light diffusing tip, the remainder being provided with a nondiffusing tip portion. The fiber optic shape, as well as the segment which is permitted to actively diffuse light through the tip, is selected in order to provide a more uniform exposure intensity of the photo energy or at least sufficient radiation directed to each segment of the uterine walls. 5 figs.

  7. Geometric diffusions as a tool for harmonic analysis and structure definition of data: multiscale methods.

    PubMed

    Coifman, R R; Lafon, S; Lee, A B; Maggioni, M; Nadler, B; Warner, F; Zucker, S W

    2005-05-24

    In the companion article, a framework for structural multiscale geometric organization of subsets of R(n) and of graphs was introduced. Here, diffusion semigroups are used to generate multiscale analyses in order to organize and represent complex structures. We emphasize the multiscale nature of these problems and build scaling functions of Markov matrices (describing local transitions) that lead to macroscopic descriptions at different scales. The process of iterating or diffusing the Markov matrix is seen as a generalization of some aspects of the Newtonian paradigm, in which local infinitesimal transitions of a system lead to global macroscopic descriptions by integration. This article deals with the construction of fast-order N algorithms for data representation and for homogenization of heterogeneous structures.

  8. A cryostatic setup for the low-temperature measurement of thermal diffusivity with the photothermal method

    SciTech Connect

    Bertolotti, M. ||; Liakhou, G.; Li Voti, R.; Paoloni, S.; Sibilia, C. ||; Sparvieri, N.

    1995-12-01

    A cryostatic setup is described to perform photothermal deflection measurements from room temperature to 77 K. The setup uses gaseous nitrogen as a medium where the photodeflection is produced. The ability of the system to work is demonstrated presenting some measurements of thermal diffusivity of high-temperature superconductor samples and of yttrium-iron garnets with variable aluminum content. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  9. Study on diffusion and recombination of minority carriers by the method of photoconductive decay

    NASA Astrophysics Data System (ADS)

    Chow, R. H.

    1984-09-01

    This paper describes an experiment relating to the diffusion of charge carriers in homogeneous semiconductor material. Diffusion theory, as outlined in this paper, is applied to deduce from measurements a quantity called the bulk lifetime of excess minority carriers: a quantity which is independent of the size, shape, and surface condition of the semiconductor sample. Because of this independence, the bulk lifetime is used as one of the characterizing quantities of semiconductor material. In performing this experiment, the student will gain a working knowledge of diffusion theory as applied to semiconductor carriers, and at the same time become acquainted with an important technique for the characterization of semiconductor material. The actual duration of involvement will depend upon the amount of setting up of equipment, sample preparation, etc., that is expected of the student. An oscilloscope of fast rise time (200-MHz bandwidth), and a xenon flash tube with pulse duration of a few microseconds (General Radio 1542-B electronic stroboscope is a proven possibility), are the major items of equipment needed.

  10. Investigation of a diffuse optical measurements-assisted quantitative photoacoustic tomographic method in reflection geometry

    PubMed Central

    Xu, Chen; Kumavor, Patrick D.; Aguirre, Andres

    2012-01-01

    Abstract. Photoacoustic tomography provides the distribution of absorbed optical energy density, which is the product of optical absorption coefficient and optical fluence distribution. We report the experimental investigation of a novel fitting procedure that quantitatively determines the optical absorption coefficient of chromophores. The experimental setup consisted of a hybrid system of a 64-channel photoacoustic imaging system with a frequency-domain diffused optical measurement system. The fitting procedure included a complete photoacoustic forward model and an analytical solution of a target chromophore using the diffusion approximation. The fitting procedure combines the information from the photoacoustic image and the background information from the diffuse optical measurements to minimize the photoacoustic measurements and forward model data and recover the target absorption coefficient quantitatively. 1-cm-cube phantom absorbers of high and low contrasts were imaged at depths of up to 3.0 cm. The fitted absorption coefficient results were at least 80% of their true values. The sensitivities of this fitting procedure to target location, target radius, and background optical properties were also investigated. We found that this fitting procedure was most sensitive to the accurate determination of the target radius and depth. Blood sample in a thin tube of radius 0.58 mm, simulating a blood vessel, was also studied. The photoacoustic images and fitted absorption coefficients are presented. These results demonstrate the clinical potential of this fitting procedure to quantitatively characterize small lesions in breast imaging. PMID:22734743

  11. Measurements of the thermal diffusivity tensor of polymer-carbon fiber composites by photothermal methods

    SciTech Connect

    Salazar, A.; Sanchez-Lavega, A.

    1998-03-01

    The thermal diffusivity tensor of a polymer-carbon fiber composite with unidirectionally distributed fibers has been measured using a modulated photothermal mirage device. The thermal diffusivity along the fibers is k{sub {parallel}} = 6.0 {+-} 0.5 mm{sup 2}{center_dot}s{sup {minus}1}, that perpendicular to the fibers is k{sub {perpendicular}} = 0.35 {+-} 0.05 mm{sup 2}{center_dot}s{sup {minus}1}, and that perpendicular to the sample surface is k{sub z} = 0.40 {+-} 0.15 mm{sup 2}{center_dot}s{sup {minus}1}. These results have been confirmed by independent measurements on the sample by other laboratories using three other different photothermal techniques. A previous claim on anomalous results found on this sample (k{sub {parallel}} < k{sub {perpendicular}} and high thermal diffusivities) can be explained by the inappropriate use of the frequency range. The authors have also found that there is not perfect thermal contact between the fibers and the matrix, which can be characterized by the thermal contact resistance of R{sub th} = (9 {+-} 2) {times} 10{sup {minus}6} m{sup 2}{center_dot}K{center_dot}W{sup {minus}1}.

  12. AN EULERIAN-LAGRANGIAN LOCALIZED ADJOINT METHOD FOR THE ADVECTION-DIFFUSION EQUATION

    EPA Science Inventory

    Many numerical methods use characteristic analysis to accommodate the advective component of transport. Such characteristic methods include Eulerian-Lagrangian methods (ELM), modified method of characteristics (MMOC), and operator splitting methods. A generalization of characteri...

  13. A CUMULATIVE MIGRATION METHOD FOR COMPUTING RIGOROUS TRANSPORT CROSS SECTIONS AND DIFFUSION COEFFICIENTS FOR LWR LATTICES WITH MONTE CARLO

    SciTech Connect

    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.

  14. Skeletal muscle diffusion tensor-MRI fiber tracking: rationale, data acquisition and analysis methods, applications and future directions.

    PubMed

    Damon, Bruce M; Froeling, Martijn; Buck, Amanda K W; Oudeman, Jos; Ding, Zhaohua; Nederveen, Aart J; Bush, Emily C; Strijkers, Gustav J

    2017-03-01

    The mechanical functions of muscles involve the generation of force and the actuation of movement by shortening or lengthening under load. These functions are influenced, in part, by the internal arrangement of muscle fibers with respect to the muscle's mechanical line of action. This property is known as muscle architecture. In this review, we describe the use of diffusion tensor (DT)-MRI muscle fiber tracking for the study of muscle architecture. In the first section, the importance of skeletal muscle architecture to function is discussed. In addition, traditional and complementary methods for the assessment of muscle architecture (brightness-mode ultrasound imaging and cadaver analysis) are presented. Next, DT-MRI is introduced and the structural basis for the reduced and anisotropic diffusion of water in muscle is discussed. The third section discusses issues related to the acquisition of skeletal muscle DT-MRI data and presents recommendations for optimal strategies. The fourth section discusses methods for the pre-processing of DT-MRI data, the available approaches for the calculation of the diffusion tensor and the seeding and propagating of fiber tracts, and the analysis of the tracking results to measure structural properties pertinent to muscle biomechanics. Lastly, examples are presented of how DT-MRI fiber tracking has been used to provide new insights into how muscles function, and important future research directions are highlighted. Copyright © 2016 John Wiley & Sons, Ltd.

  15. Is a New Standard Needed for Diffusion Methods for In Vitro Susceptibility Testing of Fosfomycin against Pseudomonas aeruginosa?

    PubMed Central

    Díez-Aguilar, María; Martínez-García, Laura; Morosini, María Isabel

    2015-01-01

    We analyzed fosfomycin susceptibility results in Pseudomonas aeruginosa clinical isolates obtained by MIC gradient strips and disk diffusion methods using two different inocula, 108 and 106 CFU/ml, and compared them to the agar dilution reference method. Essential and categorical agreements were 93.6% and 95%, respectively, for the 106 CFU/ml alternative inoculum, and they were 67.6% and 78.2%, respectively, for the standard inoculum (108 CFU/ml). The use of the 106 CFU/ml inoculum improves the agreement values and inhibition zone readings. PMID:26643341

  16. The set of photoelectromagnetic methods for determination of recombination and diffusion parameters of p-MCT thin films

    NASA Astrophysics Data System (ADS)

    Protasov, D. Y.; Trifanov, A. V.; Kostyuchenko, V. Y.

    2013-06-01

    In this paper the set of photoelectromagnetic methods for determination of recombination and diffusion parameters of charge carriers in p-type mercury cadmium telluride epitaxial thin films at temperature range 77-125 K is offered. The set of methods includes the photoconductivity in magnetic field for Faraday and Voigt geometries, the photoelectromagnetic effect, the Hall effect and the measurements of magnetoconductivity. Such films parameters as concentrations and mobilities of heavy and light holes, mobility of minor electrons, electrons lifetime and ratio between holes and electrons lifetimes, surface recombination velocities can be determined with help of offered set.

  17. Gas diffusion liquid storage bag and method of use for storing blood

    NASA Technical Reports Server (NTRS)

    Bank, H.; Cleland, E. L. (Inventor)

    1979-01-01

    The shelf life of stored whole blood may be doubled by adding a buffer which maintains a desired pH level. However, this buffer causes the generation of CO2 which, if not removed at a controlled rate, causes the pH value of the blood to decrease, which shortens the useful life of the blood. A blood storage bag is described which permits the CO2 to be diffused out at a controlled rate into the atmosphere, thereby maintaining the desired pH value and providing a bag strong enough to permit handling.

  18. Validation and comparison between the low diffusion and DSMC method based on the 70° blunted cone test case

    NASA Astrophysics Data System (ADS)

    Mirza, A.; Nizenkov, P.; Fasoulas, S.

    2016-11-01

    Two particle-based methods, the established Direct Simulation Monte Carlo (DSMC) method and the novel Low Diffusion (LD) method, are compared in terms of accuracy and performance. While DSMC enables the physically accurate simulation of rarefied gas flows, LD enables the efficient simulation of dense flows under the continuum assumption. Both methods have been utilized to simulate the gas flow around a 70° blunted cone in a wide range of Knudsen numbers from 0.001 to 0.1, and are validated against existing experimental heat flux measurements. Additionally, flow field variables in front of the heat shield as well as surface properties are compared. Finally, the research towards a coupled application of both methods to enable the efficient and physically accurate simulation of flows with large density gradients is addressed.

  19. Numerical solutions and error estimations for the space fractional diffusion equation with variable coefficients via Fibonacci collocation method.

    PubMed

    Bahşı, Ayşe Kurt; Yalçınbaş, Salih

    2016-01-01

    In this study, the Fibonacci collocation method based on the Fibonacci polynomials are presented to solve for the fractional diffusion equations with variable coefficients. The fractional derivatives are described in the Caputo sense. This method is derived by expanding the approximate solution with Fibonacci polynomials. Using this method of the fractional derivative this equation can be reduced to a set of linear algebraic equations. Also, an error estimation algorithm which is based on the residual functions is presented for this method. The approximate solutions are improved by using this error estimation algorithm. If the exact solution of the problem is not known, the absolute error function of the problems can be approximately computed by using the Fibonacci polynomial solution. By using this error estimation function, we can find improved solutions which are more efficient than direct numerical solutions. Numerical examples, figures, tables are comparisons have been presented to show efficiency and usable of proposed method.

  20. Fast computation of diffuse reflectance in optical coherence tomography using an importance sampling-based Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Lima, Ivan T., Jr.; Kalra, Anshul; Hernández-Figueroa, Hugo E.; Sherif, Sherif S.

    2012-03-01

    Computer simulations of light transport in multi-layered turbid media are an effective way to theoretically investigate light transport in tissue, which can be applied to the analysis, design and optimization of optical coherence tomography (OCT) systems. We present a computationally efficient method to calculate the diffuse reflectance due to ballistic and quasi-ballistic components of photons scattered in turbid media, which represents the signal in optical coherence tomography systems. Our importance sampling based Monte Carlo method enables the calculation of the OCT signal with less than one hundredth of the computational time required by the conventional Monte Carlo method. It also does not produce a systematic bias in the statistical result that is typically observed in existing methods to speed up Monte Carlo simulations of light transport in tissue. This method can be used to assess and optimize the performance of existing OCT systems, and it can also be used to design novel OCT systems.

  1. Determination of diffusion parameters of thermal neutrons for non-moderator media by a pulsed method and a time independent method

    NASA Astrophysics Data System (ADS)

    Boufraqech, A.

    1991-02-01

    Two methods for determining the diffusion parameters of thermal neutrons for non-moderator and non-multiplicator media have been developed. The first one, which is a pulsed method, is based on thermal neutrons relaxation coefficients measurement in a moderator, with and without the medium of interest that plays the role of reflector. For the experimental results interpretation using the diffusion theory, a corrective factor which takes into account the neutron cooling by diffusion has been introduced. Its dependence on the empirically obtained relaxation coefficients is in a good agreement with the calculations made in P3L2 approximation. The difference between linear extrapolation lengths of the moderator and the reflector has been taken into account, by developing the scalar fluxes in Bessel function series which automatically satisfy the boundary conditions at the extrapolated surfaces of the two media. The obtained results for iron are in a good agreement with those in the literature. The second method is time independent, based on the 'flux albedo' measurements interpretation (concept introduced by Amaldi and Fermi) by P3 approximation in the one group transport theory. The independent sources are introduced in the Marshak boundary conditions. An angular albedo matrix has been used to deal with multiple reflections and to take into account the distortion of the current vector when entering a medium, after being reflected by this latter. The results obtained by this method are slightly different from those given in the literature. The analysis of the possible sources causing this discrepancy, particulary the radial distribution of flux in cylindrical geometry and the flux depression at medium-black body interface, has shown that the origin of this discrepancy is the neutron heating by diffusion.

  2. A rebreathing method for measuring lung volume, diffusing capacity and cardiac output in conscious small animals.

    PubMed

    Yilmaz, Cuneyt; Johnson, Robert L; Hsia, Connie C W

    2005-04-15

    We developed a multiple gas rebreathing technique for measuring lung diffusing capacity (DL(CO)), lung volume (V(L)) and cardiac output simultaneously in conscious spontaneously breathing small animals. Lung volume was measured from the dilution of methane (CH4) or sulfur hexafluoride (SF6) and verified independently by a helium washout technique. Cardiac output and DL(CO) were estimated from the uptake of acetylene and carbon monoxide, respectively. We tested guinea pigs at two levels of alveolar oxygen tension in order to estimate membrane diffusing capacity and pulmonary capillary blood volume by the Roughton-Forster technique. Results show that measured DL(CO) are consistent with reported values in anesthetized guinea pigs as well as with allometric comparison across species. Lung volume estimated from SF6 dilution agreed closely with that estimated independently from helium washout; however, lung volume estimated from CH4 dilution was systematically lower due to the addition of endogenously produced CH4 to the rebreathing system. We conclude that this technique can be used to measure resting lung function in conscious unsedated small animals.

  3. Application of inverse methods to contaminant source identification from aquitard diffusion profiles at Dover AFB, Delaware

    NASA Astrophysics Data System (ADS)

    Liu, Chongxuan; Ball, William P.

    1999-07-01

    This paper presents a refinement and expansion of our previously described efforts to estimate contaminant plume history from observed contaminant concentrations within a low-permeability aquitard at the site of a field-scale groundwater remediation experiment at Dover Air Force Base. At this site, a two-layer aquitard has been contaminated with tetrachloroethene and trichloroethene through diffusive mass transfer from an overlying contaminated aquifer. Measurements of contaminant concentrations in the aquitard are used, together with independently obtained information about the sorption and diffusion properties of the aquitard medium, to estimate the timewise variation of the boundary concentration at the interface between the aquitard and aquifer, thus providing evidence related to the overlying plume history. In our refined analysis, we assume the contaminant source history to be a function of time with unknown form, and we supplement our interpretations with a second coring result at a different location. The results demonstrate how "forensic" interpretations of this kind can provide useful and important information regarding the contaminant release history at sites of groundwater contamination and cleanup; however, the results also show that the forensic problem is a highly nonunique problem associated with potentially large uncertainty. Interpretation of the estimated results therefore requires careful consideration in the context of other available information.

  4. An asymptotic preserving method for strongly anisotropic diffusion equations based on field line integration

    NASA Astrophysics Data System (ADS)

    Tang, Min; Wang, Yihong

    2017-02-01

    In magnetized plasma, the magnetic field confines the particles around the field lines. The anisotropy intensity in the viscosity and heat conduction may reach the order of 1012. When the boundary conditions are periodic or Neumann, the strong diffusion leads to an ill-posed limiting problem. To remove the ill-conditionedness in the highly anisotropic diffusion equations, we introduce a simple but very efficient asymptotic preserving reformulation in this paper. The key idea is that, instead of discretizing the Neumann boundary conditions locally, we replace one of the Neumann boundary condition by the integration of the original problem along the field line, the singular 1 / ɛ terms can be replaced by O (1) terms after the integration, which yields a well-posed problem. Small modifications to the original code are required and no change of coordinates nor mesh adaptation are needed. Uniform convergence with respect to the anisotropy strength 1 / ɛ can be observed numerically and the condition number does not scale with the anisotropy.

  5. Determination of in situ gas diffusivity for the reliable estimation of soil fluxes through the gradient method

    NASA Astrophysics Data System (ADS)

    Perez Sanchez-Canete, Enrique; Scott, Russell L.; Barron-Gafford, Greg; van Haren, Joost

    2016-04-01

    Soil CO2 fluxes represent a major source of CO2 emissions, where small changes in their estimation provoke large changes in the quantification of the global carbon cycle. Recently, the gradient method that employs soil CO2 probes at multiple depths has been offered as a way to inexpensively and continuously measure soil CO2 flux. However, the use of the gradient method can yield inappropriate flux estimates due to the uncertainties mainly associated with the inappropriate determination of the soil diffusion coefficient. Therefore, in-situ methods to determine diffusion coefficient are necessary to obtain accurate CO2 fluxes. Here the data obtained during one year with two automatic soil CO2 chambers along with CO2 molar fraction data from 4 probes at 10 cm depth, were used to determine a model of soil diffusion coefficient (Ds), which was applied later to obtain the soil CO2 fluxes by the gradient method. Another Ds model was obtained by injection and sampling of SF6 during several campaigns with different soil water content levels. Both Ds models obtained in situ were compared with another 13 Ds models published. We addressed three questions: 1) Can we use a previously published model, or do we need to determine Ds in situ? 2) How accurate are the CO2 fluxes estimates obtained by the gradient method for different Ds models, compared with chamber-measured CO2 fluxes? 3) Can we take a limited number of chamber measurements to obtain a good Ds model, or we need longer calibration periods? Comparing the cumulative soil respiration for the different diffusion models, we found that the model with empirical calibration to the soil chambers had the best agreement with the chamber fluxes (<0.5% error). The SF6 model underestimated by chamber fluxes by 23% and the published models ranged from an underestimate of 78% to an overestimate of 14%. Most importantly, we found that a few days of measurements with a soil respiration chamber (with widely varying soil water content

  6. Multiparameter Screening on SlipChip Used for Nanoliter Protein Crystallization Combining Free Interface Diffusion and Microbatch Methods

    SciTech Connect

    Li, Liang; Du, Wenbin; Ismagilov, Rustem F.

    2010-08-04

    This paper describes two SlipChip-based approaches to protein crystallization: a SlipChip-based free interface diffusion (FID) method and a SlipChip-based composite method that simultaneously performs microbatch and FID crystallization methods in a single device. The FID SlipChip was designed to screen multiple reagents, each at multiple diffusion equilibration times, and was validated by screening conditions for crystallization of two proteins, enoyl-CoA hydratase from Mycobacterium tuberculosis and dihydrofolate reductase/thymidylate synthase from Babesia bovis, against 48 different reagents at five different equilibration times each, consuming 12 {micro}L of each protein for a total of 480 experiments using three SlipChips. The composite SlipChip was designed to screen multiple reagents, each at multiple mixing ratios and multiple equilibration times, and was validated by screening conditions for crystallization of two proteins, enoyl-CoA hydratase from Mycobacterium tuberculosis and dihydrofolate reductase/thymidylate synthase from Babesia bovis. To prevent cross-contamination while keeping the solution in the neck channels for FID stable, the plates of the SlipChip were etched with a pattern of nanowells. This nanopattern was used to increase the contact angle of aqueous solutions on the surface of the silanized glass. The composite SlipChip increased the number of successful crystallization conditions and identified more conditions for crystallization than separate FID and microbatch screenings. Crystallization experiments were scaled up in well plates using conditions identified during the SlipChip screenings, and X-ray diffraction data were obtained to yield the protein structure of dihydrofolate reductase/thymidylate synthase at 1.95 {angstrom} resolution. This free-interface diffusion approach provides a convenient and high-throughput method of setting up gradients in microfluidic devices and may find additional applications in cell-based assays.

  7. Li + ion diffusion in Li 4Ti 5O 12 thin film electrode prepared by PVP sol-gel method

    NASA Astrophysics Data System (ADS)

    Rho, Young Ho; Kanamura, Kiyoshi

    2004-06-01

    Li 4Ti 5O 12 thin films for rechargeable lithium batteries were prepared by a sol-gel method with poly(vinylpyrrolidone). Interfacial properties of lithium insertion into Li 4Ti 5O 12 thin film were examined by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and potentiostatic intermittent titration technique (PITT). Redox peaks in CV were very sharp even at a fast scan rate of 50 mV s -1, indicating that Li 4Ti 5O 12 thin film had a fast electrochemical response, and that an apparent chemical diffusion coefficient of Li + ion was estimated to be 6.8×10 -11 cm 2 s -1 from a dependence of peak current on sweep rates. From EIS, it can be seen that Li + ions become more mobile at 1.55 V vs. Li/Li +, corresponding to a two-phase region, and the chemical diffusion coefficients of Li + ion ranged from 10 -10 to 10 -12 cm 2 s -1 at various potentials. The chemical diffusion coefficients of Li + ion in Li 4Ti 5O 12 were also estimated from PITT. They were in a range of 10 -11-10 -12 cm 2 s -1.

  8. Nonequilibrium scheme for computing the flux of the convection-diffusion equation in the framework of the lattice Boltzmann method.

    PubMed

    Chai, Zhenhua; Zhao, T S

    2014-07-01

    In this paper, we propose a local nonequilibrium scheme for computing the flux of the convection-diffusion equation with a source term in the framework of the multiple-relaxation-time (MRT) lattice Boltzmann method (LBM). Both the Chapman-Enskog analysis and the numerical results show that, at the diffusive scaling, the present nonequilibrium scheme has a second-order convergence rate in space. A comparison between the nonequilibrium scheme and the conventional second-order central-difference scheme indicates that, although both schemes have a second-order convergence rate in space, the present nonequilibrium scheme is more accurate than the central-difference scheme. In addition, the flux computation rendered by the present scheme also preserves the parallel computation feature of the LBM, making the scheme more efficient than conventional finite-difference schemes in the study of large-scale problems. Finally, a comparison between the single-relaxation-time model and the MRT model is also conducted, and the results show that the MRT model is more accurate than the single-relaxation-time model, both in solving the convection-diffusion equation and in computing the flux.

  9. Obtaining new composite biomaterials by means of mineralization of methacrylate hydrogels using the reaction-diffusion method.

    PubMed

    Ramadan, Yousof; González-Sánchez, M Isabel; Hawkins, Karl; Rubio-Retama, Jorge; Valero, Edelmira; Perni, Stefano; Prokopovich, Polina; López-Cabarcos, Enrique

    2014-09-01

    The present paper describes the synthesis and characterization of a new polymeric biomaterial mineralized with calcium phosphate using the reaction-diffusion method. The scaffold of this biomaterial was a hydrogel constituted by biocompatible polyethylene glycol methyl ether methacrylate (PEGMEM) and 2-(dimethylamino)ethyl methacrylate (DMAEM), which were cross-linked with N-N'-methylenebisacrylamide (BIS). The cross-linking content of the hydrogels was varied from 0.25% to 15% (w/w). The gels were used as matrix where two reactants (Na2HPO4 and CaCl2) diffused from both ends of the gel and upon encountering produced calcium phosphate crystals that precipitated within the polymer matrix forming bands. The shape of the crystals was tuned by modifying the matrix porosity in such a way that when the polymer matrix was slightly reticulated the diffusion reaction produced round calcium phosphate microcrystals, whilst when the polymer matrix was highly reticulated the reaction yielded flat calcium phosphate crystals. Selected area electron diffraction performed on the nanocrystals that constitute the microcrystals showed that they were formed by Brushite (CaHPO4.2H2O). This new composite material could be useful in medical and dentistry applications such as bone regeneration, bone repair or tissue engineering.

  10. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

    DOE PAGES

    Ganesh, P.; Kim, Jeongnim; Park, Changwon; ...

    2014-11-03

    In highly accurate diffusion quantum Monte Carlo (QMC) studies of the adsorption and diffusion of atomic lithium in AA-stacked graphite are compared with van der Waals-including density functional theory (DFT) calculations. Predicted QMC lattice constants for pure AA graphite agree with experiment. Pure AA-stacked graphite is shown to challenge many van der Waals methods even when they are accurate for conventional AB graphite. Moreover, the highest overall DFT accuracy, considering pure AA-stacked graphite as well as lithium binding and diffusion, is obtained by the self-consistent van der Waals functional vdW-DF2, although errors in binding energies remain. Empirical approaches based onmore » point charges such as DFT-D are inaccurate unless the local charge transfer is assessed. Our results demonstrate that the lithium carbon system requires a simultaneous highly accurate description of both charge transfer and van der Waals interactions, favoring self-consistent approaches.« less

  11. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

    NASA Astrophysics Data System (ADS)

    Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

    2014-03-01

    Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

  12. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

    SciTech Connect

    Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

    2014-03-14

    Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

  13. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets.

    PubMed

    Hsu, Po Jen; Lai, S K; Rapallo, Arnaldo

    2014-03-14

    Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

  14. A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

    NASA Astrophysics Data System (ADS)

    Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

    2007-09-01

    This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it

  15. Method for producing components with internal architectures, such as micro-channel reactors, via diffusion bonding sheets

    DOEpatents

    Alman, David E.; Wilson, Rick D.; Davis, Daniel L.

    2011-03-08

    This invention relates to a method for producing components with internal architectures, and more particularly, this invention relates to a method for producing structures with microchannels via the use of diffusion bonding of stacked laminates. Specifically, the method involves weakly bonding a stack of laminates forming internal voids and channels with a first generally low uniaxial pressure and first temperature such that bonding at least between the asperites of opposing laminates occurs and pores are isolated in interfacial contact areas, followed by a second generally higher isostatic pressure and second temperature for final bonding. The method thereby allows fabrication of micro-channel devices such as heat exchangers, recuperators, heat-pumps, chemical separators, chemical reactors, fuel processing units, and combustors without limitation on the fin aspect ratio.

  16. A new optimization method for a class of time fractional convection-diffusion-wave equations with variable coefficients

    NASA Astrophysics Data System (ADS)

    Dahaghin, M. Sh.; Hassani, H.

    2017-03-01

    In this paper, we consider a class of time fractional convection-diffusion-wave equations (TFCDWE) with variable coefficients involving fractional derivatives in the Caputo sense. We also propose an optimization method based on the generalized polynomials (GPs) for solving TFCDWE. Our objective in the proposed method is to expand the solution of the problem under consideration in terms of GPs with unknown free coefficients and control parameters. Furthermore, we derive some operational matrices of the ordinary and fractional derivatives for these basis functions. Finally, we obtain the free coefficients and control parameters optimally by minimizing the error of the approximate solution. Some numerical examples are provided to demonstrate the validity and accuracy of the proposed method. The obtained results show that the proposed method is very efficient and accurate.

  17. Demonstrating Diffusion

    ERIC Educational Resources Information Center

    Foy, Barry G.

    1977-01-01

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

  18. A Diffusion Approximation and Numerical Methods for Adaptive Neuron Models with Stochastic Inputs.

    PubMed

    Rosenbaum, Robert

    2016-01-01

    Characterizing the spiking statistics of neurons receiving noisy synaptic input is a central problem in computational neuroscience. Monte Carlo approaches to this problem are computationally expensive and often fail to provide mechanistic insight. Thus, the field has seen the development of mathematical and numerical approaches, often relying on a Fokker-Planck formalism. These approaches force a compromise between biological realism, accuracy and computational efficiency. In this article we develop an extension of existing diffusion approximations to more accurately approximate the response of neurons with adaptation currents and noisy synaptic currents. The implementation refines existing numerical schemes for solving the associated Fokker-Planck equations to improve computationally efficiency and accuracy. Computer code implementing the developed algorithms is made available to the public.

  19. A Diffusion Approximation and Numerical Methods for Adaptive Neuron Models with Stochastic Inputs

    PubMed Central

    Rosenbaum, Robert

    2016-01-01

    Characterizing the spiking statistics of neurons receiving noisy synaptic input is a central problem in computational neuroscience. Monte Carlo approaches to this problem are computationally expensive and often fail to provide mechanistic insight. Thus, the field has seen the development of mathematical and numerical approaches, often relying on a Fokker-Planck formalism. These approaches force a compromise between biological realism, accuracy and computational efficiency. In this article we develop an extension of existing diffusion approximations to more accurately approximate the response of neurons with adaptation currents and noisy synaptic currents. The implementation refines existing numerical schemes for solving the associated Fokker-Planck equations to improve computationally efficiency and accuracy. Computer code implementing the developed algorithms is made available to the public. PMID:27148036

  20. The effect of hydrogen bonding on the diffusion of water in n-alkanes and n-alcohols measured with a novel single microdroplet method.

    PubMed

    Su, Jonathan T; Duncan, P Brent; Momaya, Amit; Jutila, Arimatti; Needham, David

    2010-01-28

    While the Stokes-Einstein (SE) equation predicts that the diffusion coefficient of a solute will be inversely proportional to the viscosity of the solvent, this relation is commonly known to fail for solutes, which are the same size or smaller than the solvent. Multiple researchers have reported that for small solutes, the diffusion coefficient is inversely proportional to the viscosity to a fractional power, and that solutes actually diffuse faster than SE predicts. For other solvent systems, attractive solute-solvent interactions, such as hydrogen bonding, are known to retard the diffusion of a solute. Some researchers have interpreted the slower diffusion due to hydrogen bonding as resulting from the effective diffusion of a larger complex of a solute and solvent molecules. We have developed and used a novel micropipette technique, which can form and hold a single microdroplet of water while it dissolves in a diffusion controlled environment into the solvent. This method has been used to examine the diffusion of water in both n-alkanes and n-alcohols. It was found that the polar solute water, diffusing in a solvent with which it cannot hydrogen bond, closely resembles small nonpolar solutes such as xenon and krypton diffusing in n-alkanes, with diffusion coefficients ranging from 12.5x10(-5) cm(2)/s for water in n-pentane to 1.15x10(-5) cm(2)/s for water in hexadecane. Diffusion coefficients were found to be inversely proportional to viscosity to a fractional power, and diffusion coefficients were faster than SE predicts. For water diffusing in a solvent (n-alcohols) with which it can hydrogen bond, diffusion coefficient values ranged from 1.75x10(-5) cm(2)/s in n-methanol to 0.364x10(-5) cm(2)/s in n-octanol, and diffusion was slower than an alkane of corresponding viscosity. We find no evidence for solute-solvent complex diffusion. Rather, it is possible that the small solute water may be retarded by relatively longer residence times (compared to non

  1. Experimental Investigation and Computer Simulation of Diffusion in Fe-Mo and Fe-Mn-Mo Alloys with Different Optimization Methods

    NASA Astrophysics Data System (ADS)

    Zheng, Weisen; Ågren, John; Lu, Xiao-Gang; He, Yanlin; Li, Lin

    2017-01-01

    In order to simulate the diffusional phase transformations involving the fcc and bcc phases for microalloyed steels, the diffusion mobilities for fcc and bcc Fe-Mo and Fe-Mn-Mo alloys were experimentally investigated and critically assessed. The diffusion-couple technique was employed to extract the interdiffusion coefficients in Fe-Mo and Fe-Mn-Mo alloys with the Sauer-Freise and Whittle-Green methods. Based on the present experimental interdiffsivities, the mobility parameters for the fcc and bcc phases in the Fe-Mo and Fe-Mn-Mo systems were optimized using the traditional method. Simultaneously, a direct method was developed and utilized to directly fit mobilities to the diffusion profiles rather than the diffusivities in the present work. The satisfactory description of the diffusion behavior in the Fe-Mo and Fe-Mn-Mo systems has confirmed the reliability of the direct method. Particularly, the two sets of diffusion mobilities obtained with both methods could simulate the diffusion phenomenon between the fcc and bcc phases in the Fe-Mo and Fe-Mn-Mo systems successfully.

  2. Application of the Space-Time Conservation Element and Solution Element Method to One-Dimensional Advection-Diffusion Problems

    NASA Technical Reports Server (NTRS)

    Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung

    1999-01-01

    Test problems are used to examine the performance of several one-dimensional numerical schemes based on the space-time conservation and solution element (CE/SE) method. Investigated in this paper are the CE/SE schemes constructed previously for solving the linear unsteady advection-diffusion equation and the schemes derived here for solving the nonlinear viscous and inviscid Burgers equations. In comparison with the numerical solutions obtained using several traditional finite-difference schemes with similar accuracy, the CE/SE solutions display much lower numerical dissipation and dispersion errors.

  3. The combination methodic of diffusion and implantation technologies for creating optic wave-guided layers in lithium niobate

    NASA Astrophysics Data System (ADS)

    Orlikov, L. N.; Orlikov, N. L.; Arestov, S. I.; Mambetova, K. M.; Shandarov, S. M.

    2015-04-01

    The implantation of copper into Lithium Niobate in the prohibited crystal zone forms a definite energetic level for optic transits. This paper examines conditions of optic wave-guided layers formation on Niobate Lithium due to the method of implantation copper ions with the next diffusion. Reflect Spectrum in consequences implantation is extended. The transfer of the optical power from the primary beam into the another beam was discovered and in reverse. Photo galvanic characteristics of implantation specimen identity of crystal by traditional technology and doping CuO manufacture.

  4. Criteria for the interpretation of the pipemidic acid agar diffusion test by the Kirby-Bauer method.

    PubMed

    Grimm, H

    1983-01-01

    The antibiotic sensitivity of 296 strains of Pseudomonas aeruginosa and 294 isolates of other species was measured by the agar diffusion test with 20 micrograms pipemidic acid (Deblaston) discs on Mueller-Hinton agar by the Kirby-Bauer method. The correlation between inhibition zone diameter and minimal inhibitory concentration was worked out by regression analysis. In all bacterial species investigated, an inhibition zone of 14 mm or more indicates sensitivity to pipemidic acid. For Pseudomonas aeruginosa an intermediate zone of 11 to 13 mm is recommended.

  5. Calculation of the convective heat transfer coefficient and thermal diffusivity of cucumbers using numerical simulation and the inverse method.

    PubMed

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

    2014-09-01

    Cooling of fruits and vegetables, immediately after the harvest, has been a widely used method for maximizing post-harvest life. In this paper, an optimization algorithm and a numerical solution are used to determine simultaneously the convective heat transfer coefficient, hH, and the thermal diffusivity, 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.

  6. A fast accurate approximation method with multigrid solver for two-dimensional fractional sub-diffusion equation

    NASA Astrophysics Data System (ADS)

    Lin, Xue-lei; Lu, Xin; Ng, Micheal K.; Sun, Hai-Wei

    2016-10-01

    A fast accurate approximation method with multigrid solver is proposed to solve a two-dimensional fractional sub-diffusion equation. Using the finite difference discretization of fractional time derivative, a block lower triangular Toeplitz matrix is obtained where each main diagonal block contains a two-dimensional matrix for the Laplacian operator. Our idea is to make use of the block ɛ-circulant approximation via fast Fourier transforms, so that the resulting task is to solve a block diagonal system, where each diagonal block matrix is the sum of a complex scalar times the identity matrix and a Laplacian matrix. We show that the accuracy of the approximation scheme is of O (ɛ). Because of the special diagonal block structure, we employ the multigrid method to solve the resulting linear systems. The convergence of the multigrid method is studied. Numerical examples are presented to illustrate the accuracy of the proposed approximation scheme and the efficiency of the proposed solver.

  7. Science in the clouds: UAVs and cloud computing methods for spatial diffuse pollution risk assessment (Invited)

    NASA Astrophysics Data System (ADS)

    Reaney, S. M.

    2010-12-01

    The processes related to diffuse pollution can be understood within a 'source -> mobilisation -> pathway -> impact' framework. Recently our ability to monitor the impact section of this framework has significantly increased. This has been achieved through the measurement of flow and water quality (e.g. Nitrogen and Phosphorus) on a continuous 10 minute basis. However, our ability to observe and understand the 'source', 'mobilisation' and 'pathway' sections has not progressed at the same rate. This lack of information of the source term is due to the larger spatial areas involved and the difficulty in performing repeat surveys. Within an agricultural catchment, there are two key, temporally dynamic factors that affect the diffuse pollution export [source-mobilisation-pathway]: 1. vegetation cover and 2. agricultural management. These factors influence the amount of bare soil, vulnerable to erosion (source) and the creation of flow pathways, for example, due to tractor wheelings (tram lines). Information on these factors could be acquired through the use of satellite remote sensing or light aircraft based aerial photography. However, to acquire images on a fine temporal scale (monthly) there are significant cost and practical barriers (e.g. cloud cover). A potential solution to the problem could be the use of small semi- autonomous helicopters (UAV) and is the approach that has been investigated in this research. The UAV helicopter that has been used in this research is a Microdrones MD4-200 and is capable of autonomously flying a pre-programmed route and acquiring images at set locations at heights of up to 120 metres. The use of the pre-programmed routes enables the acquisition of repeat images at the same locations. These images contain information on the vegetation cover that can be extracted with the use of standard image processing techniques. However, the images also contain a large amount of implicit information that may help to explain water quality trends

  8. Highly sensitive determination method for total carbonate in water samples by flow injection analysis coupled with gas-diffusion separation.

    PubMed

    Oshima, M; Wei, Y; Yamamoto, M; Tanaka, H; Takayanagi, T; Motomizu, S

    2001-11-01

    A spectrophotometric method for the determination of total carbonate in water samples was developed. The method is based on the color change of an acid-base indicator in relation to the concentration of permeable gas substances through a membrane. By using a new portable FIA system equipped with a gas-diffusion unit, a highly sensitive and on-site determination of total carbonate in aqueous solutions was investigated. A new color-change system with 4-(2',4'-dinitrophenylazo)-1-naphthol-5-sulfonic acid (DNN5S) was developed. Absorbance changes of the reagent solution were measured at 450 nm with a light-emitting diode (LED) as a light source. A new type of gas-diffusion unit was used, and was constructed with double tubing: the inner tubing was a micro porous PTFE (polytetrafluoroethylene) tubing (1.0 mm inner diameter and 1.8 mm outer diameter, pore size 2 microns, porosity 50%); the outer tubing was made of glass with 2.0 mm inner diameter. The optimized system conditions were as follows: the sample size was 200 microliters, the temperature of the air bath for the gas-diffusion unit was 25 degrees C, and the length of the gas-diffusion unit was 15 cm; each flow rate was 0.3 ml min-1. For measuring carbonate at low concentrations, a method for preparing water with less carbonate was proposed: the carbonate content of the water was decreased down to 5 x 10(-7) M. The calibration graph was rectilinear from 1 x 10(-6) M to 10(-3) M, and the detection limit (corresponding to a signal-to-noise ratio of 3) was 1 x 10(-6) M of carbonate. The relative standard deviation (RSD) of ten measurements of 2.3 x 10(-5) M Na2CO3 solution was 1.9%. The total carbonate in various kinds of water (such as river, sea, rain, distilled and ultra purified) was determined.

  9. A mass-conserved diffuse interface method and its application for incompressible multiphase flows with large density ratio

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Shu, C.; Shao, J. Y.; Wu, J.; Niu, X. D.

    2015-06-01

    In this work a mass-conserved diffuse interface method is proposed for simulating incompressible flows of binary fluids with large density ratio. In the method, a mass correction term is introduced into the Cahn-Hilliard equation to compensate the mass losses or offset the mass increases caused by the numerical and modeling diffusion. Since the mass losses or increases are through the phase interfaces and at each time step, their values are very small, to keep mass conservation, mass sources or sinks are introduced and uniformly distributed in the volume of diffuse layer. With the uniform distribution, the mass correction term representing mass sources or sinks is derived analytically by applying mass conservation principle. By including the mass correction, the modified Cahn-Hilliard equation is solved by the fifth-order upwind scheme to capture the phase field of the bindery fluids. The flow field is simulated by the newly-developed multiphase lattice Boltzmann flux solver [20]. The proposed approach is validated by simulating the Laplace law, the merging of two bubbles, Rayleigh-Taylor instability and bubble rising under gravity with density ratio of 1000 and viscosity ratio of 100. Numerical results of interface shapes and flow properties agree well with both analytical solutions and benchmark data in the literature. Numerical results also show that the mass is well-conserved in all cases considered. In addition, it is demonstrated that the mass correction term at each time step is in the order of 10-4 ∼10-5, which is a small number compared with the magnitude of order parameter.

  10. Confocal-based method for quantification of diffusion kinetics in microwell plates and its application for identifying a rapid mixing method for high-content/throughput screening.

    PubMed

    Song, Ok Ryul; Kim, Tae-Hee; Perrodon, Xavier; Lee, Changbok; Jeon, Hee Kyoung; Seghiri, Zahir; Kwon, Ho Jeong; Cechetto, Jonathan; Christophe, Thierry

    2010-02-01

    Rapid mixing in microplates is still an underappreciated challenge in screening assay development, particularly with the use of noncontact nanoliter liquid handlers. In high-content/throughput screening (HC/TS), fast and efficient mixing between compounds and cell culture medium is even more critical as biological kinetics dictates speed of mixing, usually within a few minutes. Moreover, mixing in HC/TS should be gentle enough to avoid any negative disruption in cell layer. Here the authors introduce a method to accurately quantify drop diffusion into a microplate well, independently of buffer, liquid handler, or dispensing protocol. This method was used to determine the effect of various mixing methods on the diffusion of a nanoliter drop of pure DMSO in aqueous buffer in 384-well plates. Rapid plate shaking and additional buffer addition were shown to be the most efficient and effective mixing methods for HC/TS. However, efficient mixing by plate shaking is limited by assay volume. Bulk addition shows fast and efficient mixing, without negative effects on cells. Moreover, this simple, fast, and inexpensive method can be easily adapted on any platform.

  11. Comparative evaluation of antibacterial activity of caffeic acid phenethyl ester and PLGA nanoparticle formulation by different methods

    NASA Astrophysics Data System (ADS)

    Arasoglu, Tülin; Derman, Serap; Mansuroglu, Banu

    2016-01-01

    The aim of the present study was to evaluate the antimicrobial activity of nanoparticle and free formulations of the CAPE compound using different methods and comparing the results in the literature for the first time. In parallel with this purpose, encapsulation of CAPE with the PLGA nanoparticle system (CAPE-PLGA-NPs) and characterization of nanoparticles were carried out. Afterwards, antimicrobial activity of free CAPE and CAPE-PLGA-NPs was determined using agar well diffusion, disk diffusion, broth microdilution and reduction percentage methods. P. aeroginosa, E. coli, S. aureus and methicillin-resistant S. aureus (MRSA) were chosen as model bacteria since they have different cell wall structures. CAPE-PLGA-NPs within the range of 214.0 ± 8.80 nm particle size and with an encapsulation efficiency of 91.59 ± 4.97% were prepared using the oil-in-water (o-w) single-emulsion solvent evaporation method. The microbiological results indicated that free CAPE did not have any antimicrobial activity in any of the applied methods whereas CAPE-PLGA-NPs had significant antimicrobial activity in both broth dilution and reduction percentage methods. CAPE-PLGA-NPs showed moderate antimicrobial activity against S. aureus and MRSA strains particularly in hourly measurements at 30.63 and 61.25 μg ml-1 concentrations (both p < 0.05), whereas they failed to show antimicrobial activity against Gram-negative bacteria (P. aeroginosa and E. coli, p > 0.05). In the reduction percentage method, in which the highest results of antimicrobial activity were obtained, it was observed that the antimicrobial effect on S. aureus was more long-standing (3 days) and higher in reduction percentage (over 90%). The appearance of antibacterial activity of CAPE-PLGA-NPs may be related to higher penetration into cells due to low solubility of free CAPE in the aqueous medium. Additionally, the biocompatible and biodegradable PLGA nanoparticles could be an alternative to solvents such as ethanol

  12. Comparative evaluation of antibacterial activity of caffeic acid phenethyl ester and PLGA nanoparticle formulation by different methods.

    PubMed

    Arasoglu, Tülin; Derman, Serap; Mansuroglu, Banu

    2016-01-15

    The aim of the present study was to evaluate the antimicrobial activity of nanoparticle and free formulations of the CAPE compound using different methods and comparing the results in the literature for the first time. In parallel with this purpose, encapsulation of CAPE with the PLGA nanoparticle system (CAPE-PLGA-NPs) and characterization of nanoparticles were carried out. Afterwards, antimicrobial activity of free CAPE and CAPE-PLGA-NPs was determined using agar well diffusion, disk diffusion, broth microdilution and reduction percentage methods. P. aeroginosa, E. coli, S. aureus and methicillin-resistant S. aureus (MRSA) were chosen as model bacteria since they have different cell wall structures. CAPE-PLGA-NPs within the range of 214.0 ± 8.80 nm particle size and with an encapsulation efficiency of 91.59 ± 4.97% were prepared using the oil-in-water (o-w) single-emulsion solvent evaporation method. The microbiological results indicated that free CAPE did not have any antimicrobial activity in any of the applied methods whereas CAPE-PLGA-NPs had significant antimicrobial activity in both broth dilution and reduction percentage methods. CAPE-PLGA-NPs showed moderate antimicrobial activity against S. aureus and MRSA strains particularly in hourly measurements at 30.63 and 61.25 μg ml(-1) concentrations (both p < 0.05), whereas they failed to show antimicrobial activity against Gram-negative bacteria (P. aeroginosa and E. coli, p > 0.05). In the reduction percentage method, in which the highest results of antimicrobial activity were obtained, it was observed that the antimicrobial effect on S. aureus was more long-standing (3 days) and higher in reduction percentage (over 90%). The appearance of antibacterial activity of CAPE-PLGA-NPs may be related to higher penetration into cells due to low solubility of free CAPE in the aqueous medium. Additionally, the biocompatible and biodegradable PLGA nanoparticles could be an alternative to solvents such as ethanol

  13. A Richardson scheme of the decomposition method for solving singularly perturbed parabolic reaction-diffusion equation

    NASA Astrophysics Data System (ADS)

    Shishkin, G. I.; Shishkina, L. P.

    2010-12-01

    For the one-dimensional singularly perturbed parabolic reaction-diffusion equation with a perturbation parameter ɛ, where ɛ ∈ (0, 1], the grid approximation of the Dirichlet problem on a rectangular domain in the ( x, t)-plane is examined. For small ɛ, a parabolic boundary layer emerges in a neighborhood of the lateral part of the boundary of this domain. A new approach to the construction of ɛ-uniformly converging difference schemes of higher accuracy is developed for initial boundary value problems. The asymptotic construction technique is used to design the base decomposition scheme within which the regular and singular components of the grid solution are solutions to grid subproblems defined on uniform grids. The base scheme converges ɛ-uniformly in the maximum norm at the rate of O( N -2ln2 N + N {0/-1}), where N + 1 and N 0 + 1 are the numbers of nodes in the space and time meshes, respectively. An application of the Richardson extrapolation technique to the base scheme yields a higher order scheme called the Richardson decomposition scheme. This higher order scheme convergesɛ-uniformly at the rate of O( N -4ln4 N + N {0/-2}). For fixed values of the parameter, the convergence rate is O( N -4 + N {0/-2}).

  14. Linear diffusion-wave channel routing using a discrete Hayami convolution method

    NASA Astrophysics Data System (ADS)

    Wang, Li; Wu, Joan Q.; Elliot, William J.; Fiedler, Fritz R.; Lapin, Sergey

    2014-02-01

    The convolution of an input with a response function has been widely used in hydrology as a means to solve various problems analytically. Due to the high computation demand in solving the functions using numerical integration, it is often advantageous to use the discrete convolution instead of the integration of the continuous functions. This approach greatly reduces the amount of the computational work; however, it increases the possibility for mass balance errors. In this study, we analyzed the characteristics of the kernel function for the Hayami convolution solution to the linear diffusion-wave channel routing with distributed lateral inflow. We propose two ways of selection of the discrete kernel function values: using the exact point values or using the center-averaged values. Through a hypothetical example and the applications to Asotin Creek, WA and the Clearwater River, ID, we showed that when the point kernel function values were used in the discrete Hayami convolution (DHC) solution, the mass balance error of channel routing is dependent on the number of time steps on the rising limb of the Hayami kernel function. The mass balance error is negligible when there are more than 1.8 time steps on the rising limb of the kernel function. The fewer time steps on the rising limb, the greater risk of high mass balance errors. When the average kernel function values are used for the DHC solution, however, the mass balance is always maintained, since the integration of the discrete kernel function is always unity.

  15. A comparative study of penalization and phase field methods for the solution of the diffusion equation in complex geometries

    NASA Astrophysics Data System (ADS)

    Tauriello, Gerardo; Koumoutsakos, Petros

    2015-02-01

    We present a comparative study of penalization and phase field methods for the solution of the diffusion equation in complex geometries embedded using simple Cartesian meshes. The two methods have been widely employed to solve partial differential equations in complex and moving geometries for applications ranging from solid and fluid mechanics to biology and geophysics. Their popularity is largely due to their discretization on Cartesian meshes thus avoiding the need to create body-fitted grids. At the same time, there are questions regarding their accuracy and it appears that the use of each one is confined by disciplinary boundaries. Here, we compare penalization and phase field methods to handle problems with Neumann and Robin boundary conditions. We discuss extensions for Dirichlet boundary conditions and in turn compare with methods that have been explicitly designed to handle Dirichlet boundary conditions. The accuracy of all methods is analyzed using one and two dimensional benchmark problems such as the flow induced by an oscillating wall and by a cylinder performing rotary oscillations. This comparative study provides information to decide which methods to consider for a given application and their incorporation in broader computational frameworks. We demonstrate that phase field methods are more accurate than penalization methods on problems with Neumann boundary conditions and we present an error analysis explaining this result.

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

    PubMed

    Zhang, WeiWei; Zhong, XinXin; Zhao, Yi

    2012-11-26

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

  17. Effects of loading methods on microstructure of diffusion welded joint of AZ31B/Cu with Ni interlayer

    NASA Astrophysics Data System (ADS)

    Du, S. M.; Zhang, Y. Q.; Du, C.; Hu, J.

    2017-02-01

    Diffusion brazing was carried out to weld AZ31B magnesium alloy and copper with Ni foil interlayer under different loading methods that are divided into intermittent gradient pressure, gradient pressure and constant pressure. The microstructure and element diffusion of welded joint were analyzed by SEM and EDS. The results show that the AZ31B/Cu can achieve good bonded joint composed of brazing seam zone and magnesium substrate grain boundary penetration zone at 500 °C for 20 min. The loading methods have great influence on the thickness of brazing seam zone, microstructure and α-Mg grain size of the welded joint. At intermittent gradient pressure, the brazing seam zone reaches the biggest width of 0.18 mm, and the microstructure of brazing seam zone is composed of Cu11Mg10Ni9, (α-Mg+Mg2Cu+Mg2Ni)eutectic structure and α-Mg. Under gradient pressure, the width of brazing seam zone reduces, and the microstructure of brazing seam zone is mainly dominated by (α-Mg+Mg2Cu+Mg2Ni)eutectic structure and Cu11Mg10Ni9 compounds closed magnesium matrix. When using constant pressure, the microstructure of joint is similar to that under intermittent gradient pressure, the brazing seam zone reaches the smallest width of 0.11 mm, and the size of α-Mg grains reduces.

  18. An Efficient Method of Modeling Material Properties Using a Thermal Diffusion Analogy: An Example Based on Craniofacial Bone

    PubMed Central

    Davis, Julian L.; Dumont, Elizabeth R.; Strait, David S.; Grosse, Ian R.

    2011-01-01

    The ability to incorporate detailed geometry into finite element models has allowed researchers to investigate the influence of morphology on performance aspects of skeletal components. This advance has also allowed researchers to explore the effect of different material models, ranging from simple (e.g., isotropic) to complex (e.g., orthotropic), on the response of bone. However, bone's complicated geometry makes it difficult to incorporate complex material models into finite element models of bone. This difficulty is due to variation in the spatial orientation of material properties throughout bone. Our analysis addresses this problem by taking full advantage of a finite element program's ability to solve thermal-structural problems. Using a linear relationship between temperature and modulus, we seeded specific nodes of the finite element model with temperatures. We then used thermal diffusion to propagate the modulus throughout the finite element model. Finally, we solved for the mechanical response of the finite element model to the applied loads and constraints. We found that using the thermal diffusion analogy to control the modulus of bone throughout its structure provides a simple and effective method of spatially varying modulus. Results compare favorably against both experimental data and results from an FE model that incorporated a complex (orthotropic) material model. This method presented will allow researchers the ability to easily incorporate more material property data into their finite element models in an effort to improve the model's accuracy. PMID:21347288

  19. A combined kick-out and dissociative diffusion mechanism of grown-in Be in InGaAs and InGaAsP. A new finite difference-Bairstow method for solution of the diffusion equations

    SciTech Connect

    Koumetz, Serge D. Martin, Patrick; Murray, Hugues

    2014-09-14

    Experimental results on the diffusion of grown-in beryllium (Be) in indium gallium arsenide (In{sub 0.53}Ga{sub 0.47}As) and indium gallium arsenide phosphide (In{sub 0.73}Ga{sub 0.27}As{sub 0.58}P{sub 0.42}) gas source molecular beam epitaxy alloys lattice-matched to indium phosphide (InP) can be successfully explained in terms of a combined kick-out and dissociative diffusion mechanism, involving neutral Be interstitials (Be{sub i}{sup 0}), singly positively charged gallium (Ga), indium (In) self-interstitials (I{sub III}{sup +}) and singly positively charged Ga, In vacancies (V{sub III}{sup +}). A new numerical method of solution to the system of diffusion equations, based on the finite difference approximations and Bairstow's method, is proposed.

  20. A novel multiple headspace extraction gas chromatographic method for measuring the diffusion coefficient of methanol in water and in olive oil.

    PubMed

    Zhang, Chun-Yun; Chai, Xin-Sheng

    2015-03-13

    A novel method for the determination of the diffusion coefficient (D) of methanol in water and olive oil has been developed. Based on multiple headspace extraction gas chromatography (MHE-GC), the methanol released from the liquid sample of interest in a closed sample vial was determined in a stepwise fashion. A theoretical model was derived to establish the relationship between the diffusion coefficient and the GC signals from MHE-GC measurements. The results showed that the present method has an excellent precision (RSD<1%) in the linear fitting procedure and good accuracy for the diffusion coefficients of methanol in both water and olive oil, when compared with data reported in the literature. The present method is simple and practical and can be a valuable tool for the determination of the diffusion coefficient of volatile analyte(s) into food simulants from food and beverage packaging material, both in research studies and in actual applications.

  1. Impact of Modified Anisotropic Diffusion-based Enhancement Method in Computer-Aided Classification of Focal Liver Lesions.

    PubMed

    Mittal, Deepti

    2017-03-01

    This work is presented with the objective to assess quantitatively the impact of modified anisotropic diffusion-based enhancement method of Mittal et al. in computer-aided classification of focal liver lesions. This assessment was made before and after enhancement of clinically acquired ultrasound images with the comparison of (a) discrimination capability of radiologically important texture contrast feature using box plot and p-value statistics and (b) test results of designed computer-aided classification schemes to detect/classify focal liver tissues using receiver operating characteristic curves. The results reveal that the application of enhancement method on clinically acquired ultrasound image may effectively improve the confidence of clinicians/radiologists in computer-aided diagnostic solutions to detect and classify focal liver lesions.

  2. Using the apparent diffusion coefficient to identifying MGMT promoter methylation status early in glioblastoma: importance of analytical method

    SciTech Connect

    Rundle-Thiele, Dayle; Day, Bryan; Stringer, Brett; Fay, Michael; Martin, Jennifer; Jeffree, Rosalind L; Thomas, Paul; Bell, Christopher; Salvado, Olivier; Gal, Yaniv; Coulthard, Alan; Crozier, Stuart; Rose, Stephen

    2015-06-15

    Accurate knowledge of O{sup 6}-methylguanine methyltransferase (MGMT) gene promoter subtype in patients with glioblastoma (GBM) is important for treatment. However, this test is not always available. Pre-operative diffusion MRI (dMRI) can be used to probe tumour biology using the apparent diffusion coefficient (ADC); however, its ability to act as a surrogate to predict MGMT status has shown mixed results. We investigated whether this was due to variations in the method used to analyse ADC. We undertook a retrospective study of 32 patients with GBM who had MGMT status measured. Matching pre-operative MRI data were used to calculate the ADC within contrast enhancing regions of tumour. The relationship between ADC and MGMT was examined using two published ADC methods. A strong trend between a measure of ‘minimum ADC’ and methylation status was seen. An elevated minimum ADC was more likely in the methylated compared to the unmethylated MGMT group (U = 56, P = 0.0561). In contrast, utilising a two-mixture model histogram approach, a significant reduction in mean measure of the ‘low ADC’ component within the histogram was associated with an MGMT promoter methylation subtype (P < 0.0246). This study shows that within the same patient cohort, the method selected to analyse ADC measures has a significant bearing on the use of that metric as a surrogate marker of MGMT status. Thus for dMRI data to be clinically useful, consistent methods of data analysis need to be established prior to establishing any relationship with genetic or epigenetic profiling.

  3. 3-D Image-guided diffuse optical tomography using boundary element method and MPI implementation.

    PubMed

    Srinivasan, Subhadra; Ghadyani, Hamid

    2011-01-01

    Boundary elements provide an attractive method for image-guided multi-modality near infrared spectroscopy in three dimensions using only surface discretization. This method operates under the assumption that the underlying tissue contains piece-wise constant domains whose boundaries are known a priori from an alternative imaging modality such as MRI or microCT. This significantly simplifies the meshing process providing both speed-up and accuracy in the forward solution. Challenges with this method are in solving dense matrices, and working with complex heterogeneous domains. Solutions to these problems are presented here, with applications in breast cancer imaging and small - animal molecular imaging.

  4. Advanced computational methods for nodal diffusion, Monte Carlo, and S{sub n} problems. Final Report

    SciTech Connect

    1994-12-31

    The work addresses basic computational difficulties that arise in the numerical simulation of neutral particle radiation transport: discretized radiation transport problems, iterative methods, selection of parameters, and extension of current algorithms.

  5. Realization of highly crystallographic three-dimensional nanosheets by a stress-induced oriented-diffusion method

    SciTech Connect

    Gharooni, M.; Hosseini, M.; Mohajerzadeh, S. Taghinejad, M.; Taghinejad, H.; Abdi, Y.

    2014-07-28

    Morphologically controlled nanostructures have been increasingly important because of their strongly shape dependent physical and chemical properties. Formation of nanoscale silicon based structures that employ high levels of strain, intentional, and unintentional twins or grain boundaries can be dramatically different from the commonly conceived bulk processes. We report, realization of highly crystallographic 3D nanosheets with unique morphology and ultra-thin thickness by a stress-induced oriented-diffusion method, based on plasma processing of metal layer deposited on Si substrate and its post deep reactive ion etching. Annealing in plasma ambient creates rod-like metal alloy precursors which induce stress at its interface with Si substrate due to the mismatch of lattice constants. This stress opens facilitated gateways for orientated-diffusion of metal atoms in 〈110〉 directions and leads to formation of NSs (nanosheets) with [111] crystalline essence. Nanosheets are mainly triangular, hexagonal, or pseudo hexagonal in shape and their thicknesses are well controlled from several to tens of nanometers. The structural and morphological evolution of features were investigated in detail using transmission electron microscope, atomic force microscope, scanning electron microscope and possible mechanism is proposed to explain the formation of the thermodynamically unfavorable morphology of nanosheets. Significant photoemission capability of NSs was also demonstrated by photoluminescence spectroscopy.

  6. Diagnosis of breast cancer using diffuse optical spectroscopy from 500 to 1600 nm: comparison of classification methods

    NASA Astrophysics Data System (ADS)

    Nachabé, Rami; Evers, Daniel J.; Hendriks, Benno H. W.; Lucassen, Gerald W.; van der Voort, Marjolein; Rutgers, Emiel J.; Peeters, Marie-Jeanne Vrancken; van der Hage, Jos A.; Oldenburg, Hester S.; Wesseling, Jelle; Ruers, Theo J. M.

    2011-08-01

    We report on the use of diffuse optical spectroscopy analysis of breast spectra acquired in the wavelength range from 500 to 1600 nm with a fiber optic probe. A total of 102 ex vivo samples of five different breast tissue types, namely adipose, glandular, fibroadenoma, invasive carcinoma, and ductal carcinoma in situ from 52 patients were measured. A model deriving from the diffusion theory was applied to the measured spectra in order to extract clinically relevant parameters such as blood, water, lipid, and collagen volume fractions, β-carotene concentration, average vessels radius, reduced scattering amplitude, Mie slope, and Mie-to-total scattering fraction. Based on a classification and regression tree algorithm applied to the derived parameters, a sensitivity-specificity of 98%-99%, 84%-95%, 81%-98%, 91%-95%, and 83%-99% were obtained for discrimination of adipose, glandular, fibroadenoma, invasive carcinoma, and ductal carcinoma in situ, respectively; and a multiple classes overall diagnostic performance of 94%. Sensitivity-specificity values obtained for discriminating malignant from nonmalignant tissue were compared to existing reported studies by applying the different classification methods that were used in each of these studies. Furthermore, in these reported studies, either lipid or β-carotene was considered as adipose tissue precursors. We estimate both chromophore concentrations and demonstrate that lipid is a better discriminator for adipose tissue than β-carotene.

  7. Continuous recording of cerebral blood flow by means of a thermal diffusion method using a Peltier stack.

    PubMed

    Koshu, K; Hirota, S; Sonobe, M; Takahashi, S; Takaku, A; Saito, T; Ushijima, T

    1987-11-01

    The thermal diffusion method is known to be effective for making quantitative measurements of blood flow, but cannot be easily applied to problems concerning quantitative changes in blood flow. Carter et al. found that the thermal diffusion technique using a Peltier stack as the probe produced extremely stable recordings and was suitable for quantitative work. We made a more stable probe containing an air space and having a stainless cap that added weight. A stable recording of blood flow was then possible. For calibration of the probe, we used blood flow values measured by means of an electrolytic technique and the equation proposed by Carter et al. In the present study, we have shown that it is theoretically possible to perform the calibration even without obtaining data on blood flow after cardiac arrest. Experimentally, the validity of such calibration was confirmed. This technique for measuring blood flow should be applicable in various fields and its use in a clinical setting, particularly in the monitoring of blood flow during neurosurgical operations, can be expected.

  8. Comparison of passive diffusion bag samplers and submersible pump sampling methods for monitoring volatile organic compounds in ground water at Area 6, Naval Air Station, Whidbey Island, Washington

    USGS Publications Warehouse

    Huffman, Raegan L.

    2002-01-01

    Ground-water samples were collected in April 1999 at Naval Air Station Whidbey Island, Washington, with passive diffusion samplers and a submersible pump to compare concentrations of volatile organic compounds (VOCs) in water samples collected using the two sampling methods. Single diffusion samplers were installed in wells with 10-foot screened intervals, and multiple diffusion samplers were installed in wells with 20- to 40-foot screened intervals. The diffusion samplers were recovered after 20 days and the wells were then sampled using a submersible pump. VOC concentrations in the 10-foot screened wells in water samples collected with diffusion samplers closely matched concentrations in samples collected with the submersible pump. Analysis of VOC concentrations in samples collected from the 20- to 40-foot screened wells with multiple diffusion samplers indicated vertical concentration variation within the screened interval, whereas the analysis of VOC concentrations in samples collected with the submersible pump indicated mixing during pumping. The results obtained using the two sampling methods indicate that the samples collected with the diffusion samplers were comparable with and can be considerably less expensive than samples collected using a submersible pump.

  9. Effect of Crystal Defects on Minority Carrier Diffusion Length in 6H SiC Measured Using the Electron Beam Induced Current Method

    NASA Technical Reports Server (NTRS)

    Tabib-Azar, Massood

    1997-01-01

    We report values of minority carrier diffusion length in n-type 6H SiC measured using a planar Electron Beam Induced Current (EBIC) method. Values of hole diffusion length in defect free regions of n-type 6H SiC, with a doping concentration of 1.7El7 1/cu cm, ranged from 1.46 microns to 0.68 microns. We next introduce a novel variation of the planar method used above. This 'planar mapping' technique measured diffusion length along a linescan creating a map of diffusion length versus position. This map is then overlaid onto the EBIC image of the corresponding linescan, allowing direct visualization of the effect of defects on minority carrier diffusion length. Measurements of the above n-type 6H SiC resulted in values of hole diffusion length ranging from 1.2 micron in defect free regions to below 0.1 gm at the center of large defects. In addition, measurements on p-type 6H SiC resulted in electron diffusion lengths ranging from 1.42 micron to 0.8 micron.

  10. Optical microinterferometry method for evaluation of phase state and diffusion in ternary systems: phase separation in cellulose/N-Methylmorpholine-N-oxide/non-solvent mixtures

    NASA Astrophysics Data System (ADS)

    Makarova, V. V.; Antonov, S. V.; Anokhina, T. A.; Volkov, V. V.

    2016-09-01

    Microinterferometry technique was used to evaluate the phase state and diffusion of cellulose solutions N-Methylmorpholine-N-oxide upon contact with non-solvents (water and aqueous solutions of isopropyl alcohol). The method was helpful in visualization of the structure of the forming cellulose film in connection with the diffusivity of the components of the systems. The interdiffusion coefficient were determined. Isopropyl alcohol addition to water slows down the diffusion of the coagulant into the cellulose solution thus delaying cellulose precipitation. Increase of temperature leads to formation of less dense cellulose film morphology with large vacuoles.

  11. Investigation of the electrochemically active surface area and lithium diffusion in graphite anodes by a novel OsO4 staining method

    NASA Astrophysics Data System (ADS)

    Pfaffmann, Lukas; Birkenmaier, Claudia; Müller, Marcus; Bauer, Werner; Mitsch, Tim; Feinauer, Julian; Krämer, Yvonne; Scheiba, Frieder; Hintennach, Andreas; Schleid, Thomas; Schmidt, Volker; Ehrenberg, Helmut

    2016-03-01

    Negative electrodes of lithium-ion batteries generally consist of graphite-based active materials. In order to realize batteries with a high current density and therefore accelerated charging processes, the intercalation of lithium and the diffusion processes of these carbonaceous materials must be understood. In this paper, we visualized the electrochemical active surface area for three different anode materials using a novel OsO4 staining method in combination with scanning electron microscopy techniques. The diffusion behavior of these three anode materials is investigated by potentiostatic intermittent titration technique measurements. From those we determine the diffusion coefficient with and without consideration of the electrochemical active surface area.

  12. An electrical conductivity method for measuring the effects of additives on effective diffusivities in Portland cement pastes

    SciTech Connect

    Kyi, A.A. ); Batchelor, B. . Civil Engineering)

    1994-01-01

    Effective diffusivities are important in describing corrosion and leaching of contaminants in cementitious systems. An electrical conductivity procedure has been used to measure the effective diffusivities of compounds in cementitious systems containing the additives fly ash, silica fume, sodium silicate and bentonite. Silica fume was the most effective additive in reducing the effective diffusivity, but fly ash was the most cost effective. Diffusivities that have been measured with techniques that rely on flux of a compound through the solid were generally lower than those measured with the electrical conductivity procedure. Porosity and bulk density are not well correlated with effective diffusivity in systems containing additives.

  13. Determination of Diffusion Profiles in Altered Wellbore Cement Using X-ray Computed Tomography Methods

    SciTech Connect

    Mason, Harris E.; Walsh, Stuart D. C.; DuFrane, Wyatt L.; Carroll, Susan A.

    2014-06-17

    The development of accurate, predictive models for use in determining wellbore integrity requires detailed information about the chemical and mechanical changes occurring in hardened Portland cements. X-ray computed tomography (XRCT) provides a method that can nondestructively probe these changes in three dimensions. Here, we describe a method for extracting subvoxel mineralogical and chemical information from synchrotron XRCT images by combining advanced image segmentation with geochemical models of cement alteration. The method relies on determining “effective linear activity coefficients” (ELAC) for the white light source to generate calibration curves that relate the image grayscales to material composition. The resulting data set supports the modeling of cement alteration by CO2-rich brine with discrete increases in calcium concentration at reaction boundaries. The results of these XRCT analyses can be used to further improve coupled geochemical and mechanical models of cement alteration in the wellbore environment.

  14. A simple calculation of control assembly effectiveness in a liquid-metal fast breeder reactor by a transport-diffusion equivalence method

    SciTech Connect

    Benoist, P. ); Carta, M. ); Palmiotti, G. ); Salvatores, M. )

    1989-11-01

    A method to calculate the effectiveness of the control assembly in a fast neutron reactor is proposed. For each type of heterogeneous assembly (control or follower), a polar parameter, taking into account the assembly absorption and the axial leakage of neutrons inside the assembly, is defined. In a similar way, a bipolar parameter, taking into account the reaction of the assembly to a transverse flux gradient, is also defined. These two parameters, deduced from transport theory, are used to determine the absorption cross section and the diffusion coefficient of an equivalent homogeneous control or follower assembly. These new parameters are introduced in a one-group diffusion code, calculating the reactor as a whole with any number of control and follower assemblies. An approximate generalization to multigroup theory is proposed. Numerical comparisons show that this equivalent diffusion method gives results that are much closer to transport results than those obtained by the classical diffusion theory.

  15. Two-step reconstruction method using global optimization and conjugate gradient for ultrasound-guided diffuse optical tomography.

    PubMed

    Tavakoli, Behnoosh; Zhu, Quing

    2013-01-01

    Ultrasound-guided diffuse optical tomography (DOT) is a promising method for characterizing malignant and benign lesions in the female breast. We introduce a new two-step algorithm for DOT inversion in which the optical parameters are estimated with the global optimization method, genetic algorithm. The estimation result is applied as an initial guess to the conjugate gradient (CG) optimization method to obtain the absorption and scattering distributions simultaneously. Simulations and phantom experiments have shown that the maximum absorption and reduced scattering coefficients are reconstructed with less than 10% and 25% errors, respectively. This is in contrast with the CG method alone, which generates about 20% error for the absorption coefficient and does not accurately recover the scattering distribution. A new measure of scattering contrast has been introduced to characterize benign and malignant breast lesions. The results of 16 clinical cases reconstructed with the two-step method demonstrates that, on average, the absorption coefficient and scattering contrast of malignant lesions are about 1.8 and 3.32 times higher than the benign cases, respectively.

  16. A method for polycrystalline silicon delineation applicable to a double-diffused MOS transistor

    NASA Technical Reports Server (NTRS)

    Halsor, J. L.; Lin, H. C.

    1974-01-01

    Method is simple and eliminates requirement for unreliable special etchants. Structure is graded in resistivity to prevent punch-through and has very narrow channel length to increase frequency response. Contacts are on top to permit planar integrated circuit structure. Polycrystalline shield will prevent creation of inversion layer in isolated region.

  17. Cost and accuracy comparison between the diffuse interface method and the geometric volume of fluid method for simulating two-phase flows

    NASA Astrophysics Data System (ADS)

    Mirjalili, Shahab; Ivey, Christopher Blake; Mani, Ali

    2016-11-01

    The diffuse interface(DI) and volume of fluid(VOF) methods are mass conserving front capturing schemes which can handle large interfacial topology changes in realistic two phase flows. The DI method is a conservative phase field method that tracks an interface with finite thickness spread over a few cells and does not require reinitialization. In addition to having the desirable properties of level set methods for naturally capturing curvature and surface tension forces, the model conserves mass continuously and discretely. The VOF method, which tracks the fractional tagged volume in a cell, is discretely conservative by requiring costly geometric reconstructions of the interface and the fluxes. Both methods however, suffer from inaccuracies in calculation of curvature and surface tension forces. We present a quantitative comparison of these methods in terms of their accuracy, convergence rate, memory, and computational cost using canonical 2D two-phase test cases: damped surface wave, oscillating drop, equilibrium static drop, and dense moving drop. We further compared the models in their ability to handle thin films by looking at the impact of a water drop onto a deep water pool. Considering these results, we suggest qualitative guidelines for using the DI and VOF methods. Supported by ONR.

  18. Comparison between active (pumped) and passive (diffusive) sampling methods for formaldehyde in pathology and histology laboratories

    PubMed Central

    Lee, Eun Gyung; Magrm, Rana; Kusti, Mohannad; Kashon, Michael L.; Guffey, Steven; Costas, Michelle M.; Boykin, Carie J.; Harper, Martin

    2016-01-01

    This study was to determine occupational exposures to formaldehyde and to compare concentrations of formaldehyde obtained by active and passive sampling methods. In one pathology and one histology laboratories, exposure measurements were collected with sets of active air samplers (Supelco LpDNPH tubes) and passive badges (ChemDisk Aldehyde Monitor 571). Sixty-six sample pairs (49 personal and 17 area) were collected and analyzed by NIOSH NMAM 2016 for active samples and OSHA Method 1007 (using the manufacturer’s updated uptake rate) for passive samples. All active and passive 8-hour time-weighted average (TWA) measurements showed compliance with the OSHA permissible exposure limit (PEL-0.75 ppm) except for one passive measurement, whereas 78% for the active and 88% for the passive samples exceeded the NIOSH recommended exposure limit (REL-0.016 ppm). Overall, 73% of the passive samples showed higher concentrations than the active samples and a statistical test indicated disagreement between two methods for all data and for data without outliers. The OSHA Method cautions that passive samplers should not be used for sampling situations involving formalin solutions because of low concentration estimates in the presence of reaction products of formaldehyde and methanol (a formalin additive). However, this situation was not observed, perhaps because the formalin solutions used in these laboratories included much less methanol (3%) than those tested in the OSHA Method (up to 15%). The passive samplers in general overestimated concentrations compared to the active method, which is prudent for demonstrating compliance with an occupational exposure limit, but occasional large differences may be a result of collecting aerosolized droplets or splashes on the face of the samplers. In the situations examined in this study the passive sampler generally produces higher results than the active sampler so that a body of results from passive samplers demonstrating compliance with

  19. The agar diffusion scratch assay - A novel method to assess the bioactive and cytotoxic potential of new materials and compounds

    PubMed Central

    Pusnik, Mascha; Imeri, Minire; Deppierraz, Grégoire; Bruinink, Arie; Zinn, Manfred

    2016-01-01

    A profound in vitro evaluation not only of the cytotoxic but also of bioactive potential of a given compound or material is crucial for predicting potential effects in the in vivo situation. However, most of the current methods have weaknesses in either the quantitative or qualitative assessment of cytotoxicity and/or bioactivity of the test compound. Here we describe a novel assay combining the ISO 10993-5 agar diffusion test and the scratch also termed wound healing assay. In contrast to these original tests this assay is able to detect and distinguish between cytotoxic, cell migration modifying and cytotoxic plus cell migration modifying compounds, and this at higher sensitivity and in a quantitative way. PMID:26861591

  20. Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes

    SciTech Connect

    Chen, Zheng; Huang, Hongying; Yan, Jue

    2015-12-21

    We develop 3rd order maximum-principle-satisfying direct discontinuous Galerkin methods [8], [9], [19] and [21] for convection diffusion equations on unstructured triangular mesh. We carefully calculate the normal derivative numerical flux across element edges and prove that, with proper choice of parameter pair (β01) in the numerical flux formula, the quadratic polynomial solution satisfies strict maximum principle. The polynomial solution is bounded within the given range and third order accuracy is maintained. There is no geometric restriction on the meshes and obtuse triangles are allowed in the partition. As a result, a sequence of numerical examples are carried out to demonstrate the accuracy and capability of the maximum-principle-satisfying limiter.

  1. Boundary condition at a two-phase interface in the lattice Boltzmann method for the convection-diffusion equation.

    PubMed

    Yoshida, Hiroaki; Kobayashi, Takayuki; Hayashi, Hidemitsu; Kinjo, Tomoyuki; Washizu, Hitoshi; Fukuzawa, Kenji

    2014-07-01

    A boundary scheme in the lattice Boltzmann method (LBM) for the convection-diffusion equation, which correctly realizes the internal boundary condition at the interface between two phases with different transport properties, is presented. The difficulty in satisfying the continuity of flux at the interface in a transient analysis, which is inherent in the conventional LBM, is overcome by modifying the collision operator and the streaming process of the LBM. An asymptotic analysis of the scheme is carried out in order to clarify the role played by the adjustable parameters involved in the scheme. As a result, the internal boundary condition is shown to be satisfied with second-order accuracy with respect to the lattice interval, if we assign appropriate values to the adjustable parameters. In addition, two specific problems are numerically analyzed, and comparison with the analytical solutions of the problems numerically validates the proposed scheme.

  2. Synthesis of size controllable cu-phthalocyanine nanofibers by simple solvent diffusion method and their electrochemical properties.

    PubMed

    Gao, Junshan; Cheng, Chuanwei; Zhou, Xuechao; Li, Yingying; Xu, Xiaoqi; Du, Xiguang; Zhang, Haiqian

    2010-02-15

    Tetra (2-isopropyl-5-methylphenoxy) substituted Cu-phthalocyanine nanofibers were obtained in large scale by a simple solvent diffusion method. The sizes of the fibers can be finely tuned under different solvent temperature. FE-SEM micrographs indicate that the length of the fibers changed from several hundreds micrometers to several hundreds nanometers and the width changed from several micrometers to several decade nanometers. XRD measurement showed a highly long-range ordered lamellar arrangement of the substituted Cu-phthalocyanine molecules in the microfiber and the UV-vis absorption spectrum of the fibers indicated an H-aggregate of the phthalocyanine molecules. The CV curves elucidate the CuPc fibers can be fabricated Faraday pseudocapacitor.

  3. Risk assessment of failure modes of gas diffuser liner of V94.2 siemens gas turbine by FMEA method

    NASA Astrophysics Data System (ADS)

    Mirzaei Rafsanjani, H.; Rezaei Nasab, A.

    2012-05-01

    Failure of welding connection of gas diffuser liner and exhaust casing is one of the failure modes of V94.2 gas turbines which are happened in some power plants. This defect is one of the uncertainties of customers when they want to accept the final commissioning of this product. According to this, the risk priority of this failure evaluated by failure modes and effect analysis (FMEA) method to find out whether this failure is catastrophic for turbine performance and is harmful for humans. By using history of 110 gas turbines of this model which are used in some power plants, the severity number, occurrence number and detection number of failure determined and consequently the Risk Priority Number (RPN) of failure determined. Finally, critically matrix of potential failures is created and illustrated that failure modes are located in safe zone.

  4. Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes

    DOE PAGES

    Chen, Zheng; Huang, Hongying; Yan, Jue

    2015-12-21

    We develop 3rd order maximum-principle-satisfying direct discontinuous Galerkin methods [8], [9], [19] and [21] for convection diffusion equations on unstructured triangular mesh. We carefully calculate the normal derivative numerical flux across element edges and prove that, with proper choice of parameter pair (β0,β1) in the numerical flux formula, the quadratic polynomial solution satisfies strict maximum principle. The polynomial solution is bounded within the given range and third order accuracy is maintained. There is no geometric restriction on the meshes and obtuse triangles are allowed in the partition. As a result, a sequence of numerical examples are carried out to demonstratemore » the accuracy and capability of the maximum-principle-satisfying limiter.« less

  5. A practical method of determining water current velocities and diffusion coefficients in coastal waters by remote sensing techniques

    NASA Technical Reports Server (NTRS)

    James, W. P.

    1971-01-01

    A simplified procedure is presented for determining water current velocities and diffusion coefficients. Dye drops which form dye patches in the receiving water are made from an aircraft. The changes in position and size of the patches are recorded from two flights over the area. The simplified data processing procedure requires only that the ground coordinates about the dye patches be determined at the time of each flight. With an automatic recording coordinatograph for measuring coordinates and a computer for processing the data, this technique provides a practical method of determining circulation patterns and mixing characteristics of large aquatic systems. This information is useful in assessing the environmental impact of waste water discharges and for industrial plant siting.

  6. A Minimum-Residual Finite Element Method for the Convection-Diffusion Equation

    DTIC Science & Technology

    2013-05-01

    outflow. (a) Solution u (b) u (c) Error representation e Fig. 5.6. Advection skew to mesh on a uniform quadratic 32 ⇥ 32 grid of triangles. The fine...Report (SAR) 18. NUMBER OF PAGES 20 19a. NAME OF RESPONSIBLE PERSON a. REPORT unclassified b. ABSTRACT unclassified c. THIS PAGE unclassified...er. Specifically, the SUPG method can be interpreted as a modification of standard test functions1, biasing them in the upwind direction based on mesh

  7. Segmentation and Analysis of Corpus Callosum in Alzheimer MR Images using Total Variation Based Diffusion Filter and Level Set Method.

    PubMed

    Anandh, K R; Sujatha, C M; Ramakrishnan, S

    2015-01-01

    Alzheimer’s Disease (AD) is a common form of dementia that affects gray and white matter structures of brain. Manifestation of AD leads to cognitive deficits such as memory impairment problems, ability to think and difficulties in performing day to day activities. Although the etiology of this disease is unclear, imaging biomarkers are highly useful in the early diagnosis of AD. Magnetic resonance imaging is an indispensible non-invasive imaging modality that reflects both the geometry and pathology of the brain. Corpus Callosum (CC) is the largest white matter structure as well as the main inter-hemispheric fiber connection that undergoes regional alterations due to AD. Therefore, segmentation and feature extraction are predominantly essential to characterize the CC atrophy. In this work, an attempt has been made to segment CC using edge based level set method. Prior to segmentation, the images are pre-processed using Total Variation (TV) based diffusion filtering to enhance the edge information. Shape based geometric features are extracted from the segmented CC images to analyze the CC atrophy. Results show that the edge based level set method is able to segment CC in both the normal and AD images. TV based diffusion filtering has performed uniform region specific smoothing thereby preserving the texture and small scale details of the image. Consequently, the edge map of CC in both the normal and AD are apparently sharp and distinct with continuous boundaries. This facilitates the final contour to correctly segment CC from the nearby structures. The extracted geometric features such as area, perimeter and minor axis are found to have the percentage difference of 5.97%, 22.22% and 9.52% respectively in the demarcation of AD subjects. As callosal atrophy is significant in the diagnosis of AD, this study seems to be clinically useful.

  8. Estimation of the effective phase function of bulk diffusing materials with the inverse adding-doubling method.

    PubMed

    Leyre, Sven; Meuret, Youri; Durinck, Guy; Hofkens, Johan; Deconinck, Geert; Hanselaer, Peter

    2014-04-01

    The accuracy of optical simulations including bulk diffusors is heavily dependent on the accuracy of the bulk scattering properties. If no knowledge on the physical scattering effects is available, an iterative procedure is usually used to obtain the scattering properties, such as the inverse Monte Carlo method or the inverse adding-doubling (AD) method. In these methods, a predefined phase function with one free parameter is usually used to limit the number of free parameters. In this work, three predefined phase functions (Henyey-Greenstein, two-term Henyey-Greenstein, and Gegenbauer kernel (GK) phase function) are implemented in the inverse AD method to determine the optical properties of two strongly diffusing materials: low-density polyethylene and TiO₂ particles. Using the presented approach, an estimation of the effective phase function was made. It was found that the use of the GK phase function resulted in the best agreement between calculated and experimental transmittance, reflectance, and scattered radiant intensity distribution for the LDPE sample. For the TiO₂ sample, a good agreement was obtained with both the two-term Henyey-Greenstein and the GK phase function.

  9. A sharp interface method for coupling multiphase flow, heat transfer and multicomponent mass transfer with interphase diffusion

    NASA Astrophysics Data System (ADS)

    He, Ping; Ghoniem, Ahmed F.

    2017-03-01

    Mixing of partially miscible fluids plays an important role in many physical and chemical processes. The modeling complexities lie in the tight coupling of the multiphase flow, heat transfer and multicomponent mass transfer, as well as diffusions across the phase interface. We present a sharp interface method for modeling such process. The non-ideal equation of state is used to compute the fluid properties such as density, fugacity and enthalpy, and to predict phase equilibrium composition. The phase interface location is tracked using the phase propagation velocity. A third-order one-sided finite difference scheme using a variable grid size according to the interface location is utilized to discretize the partial derivatives immediately next to the interface, while a second-order central scheme is used for the bulk of fluids. An optimization method, the Nelder-Mead method, is applied to search for (1) the phase compositions on both sides of the interface, and (2) the phase propagation velocity based on the coupling of the multicomponent phase equilibrium and the species' balance across the interface. The temperature at the interface is determined by the energy balance. Numerical results are used to demonstrate the convergence of our method and show its capability to simulate the mixing of multicomponent partially miscible fluids.

  10. On the implementation of finite element method to investigate the dynamics of prey-predator model with two-dimensional diffusion

    NASA Astrophysics Data System (ADS)

    Mohd, Mohd Hafiz; Abu-Hasan, Yahya

    2012-09-01

    The modelling of prey-predator interactions is of great importance in mathematical ecology, especially when diffusion mechanism and spatial dependence are taken into account. This will lead to reaction-diffusion equations, which the solutions to these equations reveal a broad variety of structures such as instability and pattern formation. In this paper, we wish to study the prey-predator model with two-dimensional diffusion via finite element method. Initially, the algorithm for Galerkin finite element is established and then the finite element discretization is implemented under specified Neumann boundary condition. Simulations are performed to explore the dynamics of two space dimension diffusive prey-predator model. The results of numerical simulations illustrate that the system's behaviour are consistent with the analytically proven theorems. For instance, in the case of equal diffusion constants, the populations of prey and predator has no maximum inside the domain and for 0 < t < T. The maximum is actually dependent on initial conditions. Whilst, in the case predators diffuse faster than preys, we could observe the occurrence of diffusion-driven instability. All these are very interesting to be observed and studied in order to understand the ecological interactions between prey and predator.

  11. Method of experimental determination of the kinetic constants in fast polymerization reactions in nonisothermal diffusion conditions

    SciTech Connect

    Prochukhan, Yu.A.; Berlin, A.A.; Enikolopyan, N.S.

    1986-09-01

    A new method for the experimental determination of the kinetic constants k/sub p/ and k/sub t/ in fast polymerization reactions on the example of cationic (under the effect of AlCl/sub 3/, BF/sub 3/, and other catalysts) liquid phase polymerization of isobutylene in a flow was suggested. The study of the macrokinetic features of low-temperature polymerization of isobutylene revealed the specific conditions of the occurrence of the process (quasi-ideal displacement) which are characterized by the relative constancy and uniformity of the distribution of the concentrations of the reacting substances along the flow section.

  12. A parallel algorithm for the two-dimensional time fractional diffusion equation with implicit difference method.

    PubMed

    Gong, Chunye; Bao, Weimin; Tang, Guojian; Jiang, Yuewen; Liu, Jie

    2014-01-01

    It is very time consuming to solve fractional differential equations. The computational complexity of two-dimensional fractional differential equation (2D-TFDE) with iterative implicit finite difference method is O(M(x)M(y)N(2)). In this paper, we present a parallel algorithm for 2D-TFDE and give an in-depth discussion about this algorithm. A task distribution model and data layout with virtual boundary are designed for this parallel algorithm. The experimental results show that the parallel algorithm compares well with the exact solution. The parallel algorithm on single Intel Xeon X5540 CPU runs 3.16-4.17 times faster than the serial algorithm on single CPU core. The parallel efficiency of 81 processes is up to 88.24% compared with 9 processes on a distributed memory cluster system. We do think that the parallel computing technology will become a very basic method for the computational intensive fractional applications in the near future.

  13. Synergy of β-Lactams with Vancomycin against Methicillin-Resistant Staphylococcus aureus: Correlation of Disk Diffusion and Checkerboard Methods.

    PubMed

    Sy, Cheng Len; Huang, Tsi-Shu; Chen, Chii Shiang; Chen, Yao-Shen; Tsai, Hung-Chin; Wann, Shue-Renn; Wu, Kuan-Sheng; Chen, Jui-Kuang; Lee, Susan Shin-Jung; Liu, Yung-Ching

    2016-03-01

    Modified disk diffusion (MDD) and checkerboard tests were employed to assess the synergy of combinations of vancomycin and β-lactam antibiotics for 59 clinical isolates of methicillin-resistant Staphylococcus aureus (MRSA) and Mu50 (ATCC 700699). Bacterial inocula equivalent to 0.5 and 2.0 McFarland standard were inoculated on agar plates containing 0, 0.5, 1, and 2 μg/ml of vancomycin. Oxacillin-, cefazolin-, and cefoxitin-impregnated disks were applied to the surface, and the zones of inhibition were measured at 24 h. The CLSI-recommended checkerboard method was used as a reference to detect synergy. The MICs for vancomycin were determined using the Etest method, broth microdilution, and the Vitek 2 automated system. Synergy was observed with the checkerboard method in 51% to 60% of the isolates when vancomycin was combined with any β-lactam. The fractional inhibitory concentration indices were significantly lower in MRSA isolates with higher vancomycin MIC combinations (P < 0.05). The overall agreement between the MDD and checkerboard methods to detect synergy in MRSA isolates with bacterial inocula equivalent to McFarland standard 0.5 were 33.0% and 62.5% for oxacillin, 45.1% and 52.4% for cefazolin, and 43.1% and 52.4% for cefoxitin when combined with 0.5 and 2 μg/ml of vancomycin, respectively. Based on our study, the simple MDD method is not recommended as a replacement for the checkerboard method to detect synergy. However, it may serve as an initial screening method for the detection of potential synergy when it is not feasible to perform other labor-intensive synergy tests.

  14. Development of a method for the determination of naphthalene and phenanthrene in workplace air using diffusive sampling and thermal desorption GC-MS analysis.

    PubMed

    Lindahl, Roger; Claesson, Anna-Sara; Khan, Muhammad Akhtar; Levin, Jan-Olof

    2011-07-01

    Diffusive sampling methods have been validated for the determination of naphthalene and phenanthrene in workplace air. The diffusive sampler tested was the Perkin Elmer ATD tube, and the analysis was performed with thermal desorption, gas chromatography, and mass spectrometric detection. The sampling methods were validated in controlled test atmospheres, mainly according to the protocol proposed in the European standard EN 838. For the determination of naphthalene, the diffusive sampling rate was 0.41 ml min(-1) with a coefficient of variation (CV) of 19%. The mean sampling rate for phenanthrene was 0.49 ml min(-1) with a CV of 21%. Field tests confirmed the naphthalene results but could not be used to confirm the phenanthrene results. The method is not recommended for phenanthrene sampling unless the method has been tested in the specific environment and the results confirm the laboratory tests.

  15. A robust and scalable microfluidic metering method that allows protein crystal growth by free interface diffusion

    NASA Astrophysics Data System (ADS)

    Hansen, Carl L.; Skordalakes, Emmanuel; Berger, James M.; Quake, Stephen R.

    2002-12-01

    Producing robust and scalable fluid metering in a microfluidic device is a challenging problem. We developed a scheme for metering fluids on the picoliter scale that is scalable to highly integrated parallel architectures and is independent of the properties of the working fluid. We demonstrated the power of this method by fabricating and testing a microfluidic chip for rapid screening of protein crystallization conditions, a major hurdle in structural biology efforts. The chip has 480 active valves and performs 144 parallel reactions, each of which uses only 10 nl of protein sample. The properties of microfluidic mixing allow an efficient kinetic trajectory for crystallization, and the microfluidic device outperforms conventional techniques by detecting more crystallization conditions while using 2 orders of magnitude less protein sample. We demonstrate that diffraction-quality crystals may be grown and harvested from such nanoliter-volume reactions.

  16. Computer model of the diffusion/reaction interplay in the gel acupuncture method

    NASA Astrophysics Data System (ADS)

    Otálora, Fermín; García-Ruiz, Juan M.

    1996-11-01

    A numerical model is presented to simulate the growth of protein crystals by the gel acupuncture method. The model includes simultaneous transport, nucleation and growth/dissolution and shows itself as a powerful tool in getting insight into the complex interplay of the three processes. The output data allow us to describe simulated experiments both in terms of number, size and distribution of the crystals obtained, and the physicochemical parameters controlling them. The initial protein concentration and the penetration depth of the capillary into the gel define the amplitude and gradient of a supersaturation wave. This wave travels across the system producing the typical distribution of crystals in gel acupuncture in a self-organised way. The existence of this one-dimensional wave imposes a spatio-temporal order in the events, producing crystals in such a way that large crystals of good quality are formed in the middle of the capillary.

  17. A New Method to Estimate Diffusion in Stable, Low-Wind Conditions.

    NASA Astrophysics Data System (ADS)

    Oettl, Dietmar; Alfons Almbauer, Raimund; Sturm, Peter Johann

    2001-02-01

    Sonic anemometer observations were made 10 m above ground level for a period of 1 yr. From these data, Eulerian autocorrelation functions were computed for the horizontal and vertical wind velocity fluctuations for low wind speeds. Although the autocorrelation function for the vertical velocity component exhibited the well-known exponential form, the function for the horizontal components of the wind vector showed a negative loop for all stability classes at low wind speeds. This result might be an effect of low-frequency meandering of the flow. Observations of the standard deviations of the vertical wind component confirmed the proportionality with the friction velocity, though with a slightly lower constant of proportionality than has been found by other authors. A Lagrangian dispersion model (LDM) with random time steps and a negative intercorrelation parameter u, for the horizontal wind components was used to take the first of the above-mentioned findings into account. In a simple test case, it could be shown that using a negative tail in the autocorrelation function for the horizontal wind fluctuations in an LDM results in larger plume spreads as if the usual exponential law were used. This model characteristic is in agreement with enhanced dispersion in low-wind situations as found by different authors earlier. Because the model reduces to the Langevin equation for u, = 0.9, it has the advantage that it can be used for all wind speeds by simply adjusting the intercorrelation parameter. Last, the model was tested against field experiment data gathered by the Idaho National Engineering Laboratory during stable, low-wind conditions. The results with the new method for these experiments are very promising in comparison with methods used by other authors earlier.

  18. DSA laser measurements and atmospheric diffusion models for the estimation of the gas emission flux by spot source fields: methods and experimental results

    NASA Astrophysics Data System (ADS)

    Cuccoli, Fabrizio; Facheris, Luca; Vaselli, Orlando

    2006-09-01

    A simple method for estimating the gas emission flux by spot source fields based on IR laser measurements and atmospheric diffusion models is presented. The method is based on a proper arrangement of the optical links around the emission area, over which the determination of the gas integral concentration is required. The first objective of such measurements is to tune the parameters of a basic diffusion model in order to estimate, as second objective, the gas emission flux by applying the tuned model to experimental measurements. After discussing the proposed model and method, experimental data obtained from some CO II-rich natural discharges in Tuscany (Central Italy) are presented

  19. Diffusion bonding

    DOEpatents

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  20. A radial basis function (RBF) finite difference method for the simulation of reaction-diffusion equations on stationary platelets within the augmented forcing method

    NASA Astrophysics Data System (ADS)

    Shankar, Varun; Wright, Grady B.; Fogelson, Aaron L.; Kirby, Robert M.

    2014-05-01

    We present a computational method for solving the coupled problem of chemical transport in a fluid (blood) with binding/unbinding of the chemical to/from cellular (platelet) surfaces in contact with the fluid, and with transport of the chemical on the cellular surfaces. The overall framework is the Augmented Forcing Point Method (AFM) (\\emph{L. Yao and A.L. Fogelson, Simulations of chemical transport and reaction in a suspension of cells I: An augmented forcing point method for the stationary case, IJNMF (2012) 69, 1736-52.}) for solving fluid-phase transport in a region outside of a collection of cells suspended in the fluid. We introduce a novel Radial Basis Function-Finite Difference (RBF-FD) method to solve reaction-diffusion equations on the surface of each of a collection of 2D stationary platelets suspended in blood. Parametric RBFs are used to represent the geometry of the platelets and give accurate geometric information needed for the RBF-FD method. Symmetric Hermite-RBF interpolants are used for enforcing the boundary conditions on the fluid-phase chemical concentration, and their use removes a significant limitation of the original AFM. The efficacy of the new methods are shown through a series of numerical experiments; in particular, second order convergence for the coupled problem is demonstrated.

  1. Prediction of the moments in advection-diffusion lattice Boltzmann method. I. Truncation dispersion, skewness, and kurtosis

    NASA Astrophysics Data System (ADS)

    Ginzburg, Irina

    2017-01-01

    The effect of the heterogeneity in the soil structure or the nonuniformity of the velocity field on the modeled resident time distribution (RTD) and breakthrough curves is quantified by their moments. While the first moment provides the effective velocity, the second moment is related to the longitudinal dispersion coefficient (kT) in the developed Taylor regime; the third and fourth moments are characterized by their normalized values skewness (Sk) and kurtosis (Ku), respectively. The purpose of this investigation is to examine the role of the truncation corrections of the numerical scheme in kT, Sk, and Ku because of their interference with the second moment, in the form of the numerical dispersion, and in the higher-order moments, by their definition. Our symbolic procedure is based on the recently proposed extended method of moments (EMM). Originally, the EMM restores any-order physical moments of the RTD or averaged distributions assuming that the solute concentration obeys the advection-diffusion equation in multidimensional steady-state velocity field, in streamwise-periodic heterogeneous structure. In our work, the EMM is generalized to the fourth-order-accurate apparent mass-conservation equation in two- and three-dimensional duct flows. The method looks for the solution of the transport equation as the product of a long harmonic wave and a spatially periodic oscillating component; the moments of the given numerical scheme are derived from a chain of the steady-state fourth-order equations at a single cell. This mathematical technique is exemplified for the truncation terms of the two-relaxation-time lattice Boltzmann scheme, using plug and parabolic flow in straight channel and cylindrical capillary with the d2Q9 and d3Q15 discrete velocity sets as simple but illustrative examples. The derived symbolic dependencies can be readily extended for advection by another, Newtonian or non-Newtonian, flow profile in any-shape open-tabular conduits. It is

  2. Prediction of the moments in advection-diffusion lattice Boltzmann method. I. Truncation dispersion, skewness, and kurtosis.

    PubMed

    Ginzburg, Irina

    2017-01-01

    The effect of the heterogeneity in the soil structure or the nonuniformity of the velocity field on the modeled resident time distribution (RTD) and breakthrough curves is quantified by their moments. While the first moment provides the effective velocity, the second moment is related to the longitudinal dispersion coefficient (k_{T}) in the developed Taylor regime; the third and fourth moments are characterized by their normalized values skewness (Sk) and kurtosis (Ku), respectively. The purpose of this investigation is to examine the role of the truncation corrections of the numerical scheme in k_{T}, Sk, and Ku because of their interference with the second moment, in the form of the numerical dispersion, and in the higher-order moments, by their definition. Our symbolic procedure is based on the recently proposed extended method of moments (EMM). Originally, the EMM restores any-order physical moments of the RTD or averaged distributions assuming that the solute concentration obeys the advection-diffusion equation in multidimensional steady-state velocity field, in streamwise-periodic heterogeneous structure. In our work, the EMM is generalized to the fourth-order-accurate apparent mass-conservation equation in two- and three-dimensional duct flows. The method looks for the solution of the transport equation as the product of a long harmonic wave and a spatially periodic oscillating component; the moments of the given numerical scheme are derived from a chain of the steady-state fourth-order equations at a single cell. This mathematical technique is exemplified for the truncation terms of the two-relaxation-time lattice Boltzmann scheme, using plug and parabolic flow in straight channel and cylindrical capillary with the d2Q9 and d3Q15 discrete velocity sets as simple but illustrative examples. The derived symbolic dependencies can be readily extended for advection by another, Newtonian or non-Newtonian, flow profile in any-shape open-tabular conduits. It is

  3. A method to determine the ability of drugs to diffuse through the blood-brain barrier.

    PubMed Central

    Seelig, A; Gottschlich, R; Devant, R M

    1994-01-01

    A method has been devised for predicting the ability of drugs to cross the blood-brain barrier. The criteria depend on the amphiphilic properties of a drug as reflected in its surface activity. The assessment was made with various drugs that either penetrate or do not penetrate the blood-brain barrier. The surface activity of these drugs was quantified by their Gibbs adsorption isotherms in terms of three parameters: (i) the onset of surface activity, (ii) the critical micelle concentration, and (iii) the surface area requirement of the drug at the air/water interface. A calibration diagram is proposed in which the critical micelle concentration is plotted against the concentration required for the onset of surface activity. Three different regions are easily distinguished in this diagram: a region of very hydrophobic drugs which fail to enter the central nervous system because they remain adsorbed to the membrane, a central area of less hydrophobic drugs which can cross the blood-brain barrier, and a region of relatively hydrophilic drugs which do not cross the blood-brain barrier unless applied at high concentrations. This diagram can be used to predict reliably the central nervous system permeability of an unknown compound from a simple measurement of its Gibbs adsorption isotherm. PMID:8278409

  4. Standardization of Operator-Dependent Variables Affecting Precision and Accuracy of the Disk Diffusion Method for Antibiotic Susceptibility Testing

    PubMed Central

    Maurer, Florian P.; Pfiffner, Tamara; Böttger, Erik C.; Furrer, Reinhard

    2015-01-01

    Parameters like zone reading, inoculum density, and plate streaking influence the precision and accuracy of disk diffusion antibiotic susceptibility testing (AST). While improved reading precision has been demonstrated using automated imaging systems, standardization of the inoculum and of plate streaking have not been systematically investigated yet. This study analyzed whether photometrically controlled inoculum preparation and/or automated inoculation could further improve the standardization of disk diffusion. Suspensions of Escherichia coli ATCC 25922 and Staphylococcus aureus ATCC 29213 of 0.5 McFarland standard were prepared by 10 operators using both visual comparison to turbidity standards and a Densichek photometer (bioMérieux), and the resulting CFU counts were determined. Furthermore, eight experienced operators each inoculated 10 Mueller-Hinton agar plates using a single 0.5 McFarland standard bacterial suspension of E. coli ATCC 25922 using regular cotton swabs, dry flocked swabs (Copan, Brescia, Italy), or an automated streaking device (BD-Kiestra, Drachten, Netherlands). The mean CFU counts obtained from 0.5 McFarland standard E. coli ATCC 25922 suspensions were significantly different for suspensions prepared by eye and by Densichek (P < 0.001). Preparation by eye resulted in counts that were closer to the CLSI/EUCAST target of 108 CFU/ml than those resulting from Densichek preparation. No significant differences in the standard deviations of the CFU counts were observed. The interoperator differences in standard deviations when dry flocked swabs were used decreased significantly compared to the differences when regular cotton swabs were used, whereas the mean of the standard deviations of all operators together was not significantly altered. In contrast, automated streaking significantly reduced both interoperator differences, i.e., the individual standard deviations, compared to the standard deviations for the manual method, and the mean of the

  5. Combining Land Use Information and Small Stream Sampling with PCR-Based Methods for Better Characterization of Diffuse Sources of Human Fecal Pollution

    EPA Science Inventory

    Diffuse sources of human fecal pollution allow for the direct discharge of waste into receiving waters with minimal or no treatment. Traditional culture-based methods are commonly used to characterize fecal pollution in ambient waters, however these methods do not discern between...

  6. Combining land use information and small stream sampling with PCR-based methods for better characterization of diffuse sources of human fecal pollution.

    PubMed

    Peed, Lindsay A; Nietch, Christopher T; Kelty, Catherine A; Meckes, Mark; Mooney, Thomas; Sivaganesan, Mano; Shanks, Orin C

    2011-07-01

    Diffuse sources of human fecal pollution allow for the direct discharge of waste into receiving waters with minimal or no treatment. Traditional culture-based methods are commonly used to characterize fecal pollution in ambient waters, however these methods do not discern between human and other animal sources of fecal pollution making it difficult to identify diffuse pollution sources. Human-associated quantitative real-time PCR (qPCR) methods in combination with low-order headwatershed sampling, precipitation information, and high-resolution geographic information system land use data can be useful for identifying diffuse source of human fecal pollution in receiving waters. To test this assertion, this study monitored nine headwatersheds over a two-year period potentially impacted by faulty septic systems and leaky sanitary sewer lines. Human fecal pollution was measured using three different human-associated qPCR methods and a positive significant correlation was seen between abundance of human-associated genetic markers and septic systems following wet weather events. In contrast, a negative correlation was observed with sanitary sewer line densities suggesting septic systems are the predominant diffuse source of human fecal pollution in the study area. These results demonstrate the advantages of combining water sampling, climate information, land-use computer-based modeling, and molecular biology disciplines to better characterize diffuse sources of human fecal pollution in environmental waters.

  7. Quantification of fibrosis in infarcted swine hearts by ex vivo late gadolinium-enhancement and diffusion-weighted MRI methods

    NASA Astrophysics Data System (ADS)

    Pop, Mihaela; Ghugre, Nilesh R.; Ramanan, Venkat; Morikawa, Lily; Stanisz, Greg; Dick, Alexander J.; Wright, Graham A.

    2013-08-01

    Many have speculated that MRI signal characteristics can be used to identify regions of heterogeneous infarct associated with an arrhythmogenic substrate; however, direct evidence of this relationship is limited. The aim of this study was to demonstrate the remodelling characteristics of fibrosis by means of histology and high-resolution MR imaging. For this purpose, we performed whole-mount histology in heart samples (n = 9) collected from five swine at six weeks post-infarction and compared the extent of fibrosis in the infarcted areas delineated in these histological images with that obtained ex vivo by MRI using late gadolinium-enhancement (LGE) and diffusion-weighted imaging (DWI) methods. All MR images were obtained at a submillimetre resolution (i.e., voxel size of 0.6×0.6×1.2 mm3). Specifically, in the histology images, we differentiated moderate fibrosis (consisting of a mixture of viable and non-viable myocytes, known as border zone, BZ) from severe fibrosis (i.e., the dense scar). Correspondingly, tissue heterogeneities in the MR images were categorized by a Gaussian mixture model into healthy, BZ and scar. Our results showed that (a) both MRI methods were capable of qualitatively distinguishing sharp edges between dense scar and healthy tissue from regions of heterogeneous BZ; (b) the BZ and dense scar areas had intermediate-to-high increased values of signal intensity in the LGE images and of apparent diffusion coefficient in the DWI, respectively. In addition, as demonstrated by the Picrosirius Red and immunohistochemistry stains, the viable bundles in the BZ were clearly separated by thin collagen strands and had reduced expression of Cx43, whereas the core scar was composed of dense fibrosis. A quantitative analysis demonstrated that the comparison between BZ/scar extent in LGE and DWI to the corresponding areas identified in histology yielded very good correlations (i.e., for the scar identified by LGE, R2 was 0.96 compared to R2 = 0.93 for the

  8. Analytic Coarse-Mesh Finite-Difference Method Generalized for Heterogeneous Multidimensional Two-Group Diffusion Calculations

    SciTech Connect

    Garcia-Herranz, Nuria; Cabellos, Oscar; Aragones, Jose M.; Ahnert, Carol

    2003-05-15

    In order to take into account in a more effective and accurate way the intranodal heterogeneities in coarse-mesh finite-difference (CMFD) methods, a new equivalent parameter generation methodology has been developed and tested. This methodology accounts for the dependence of the nodal homogeneized two-group cross sections and nodal coupling factors, with interface flux discontinuity (IFD) factors that account for heterogeneities on the flux-spectrum and burnup intranodal distributions as well as on neighbor effects.The methodology has been implemented in an analytic CMFD method, rigorously obtained for homogeneous nodes with transverse leakage and generalized now for heterogeneous nodes by including IFD heterogeneity factors. When intranodal mesh node heterogeneity vanishes, the heterogeneous solution tends to the analytic homogeneous nodal solution. On the other hand, when intranodal heterogeneity increases, a high accuracy is maintained since the linear and nonlinear feedbacks on equivalent parameters have been shown to be as a very effective way of accounting for heterogeneity effects in two-group multidimensional coarse-mesh diffusion calculations.

  9. Novel level-set based segmentation method of the lung at HRCT images of diffuse interstitial lung disease (DILD)

    NASA Astrophysics Data System (ADS)

    Lee, Jeongjin; Seo, Joon Beom; Kim, Namkug; Park, Sang Ok; Lee, Ho; Shin, Yeong Gil; Kim, Soo-Hong

    2009-02-01

    In this paper, we propose an algorithm for reliable segmentation of the lung at HRCT of DILD. Our method consists of four main steps. First, the airway and colon are segmented and excluded by thresholding(-974 HU) and connected component analysis. Second, initial lung is identified by thresholding(-474 HU). Third, shape propagation outward the lung is performed on the initial lung. Actual lung boundaries exist inside the propagated boundaries. Finally, subsequent shape modeling level-set inward the lung from the propagated boundary can identify the lung boundary when the curvature term was highly weighted. To assess the accuracy of the proposed algorithm, the segmentation results of 54 patients are compared with those of manual segmentation done by an expert radiologist. The value of 1 minus volumetric overlap is less than 5% error. Accurate result of our method would be useful in determining the lung parenchyma at HRCT, which is the essential step for the automatic classification and quantification of diffuse interstitial lung disease.

  10. Investigation of the 4-Quadrant behaviour of a mixed flow diffuser pump with CFD-methods and test rig evaluation

    NASA Astrophysics Data System (ADS)

    Höller, S.; Benigni, H.; Jaberg, H.

    2016-11-01

    The complete pump characteristics including its 4-quadrant behaviour are of essential interest for off-design operations such as a pump trip. At this exceptional load case the pump enters the dissipation mode and moves further into the turbine mode while the direction of rotation and the flow direction will change. The time-consuming and expensive experimental investigation of the 4-quadrant behaviour requires a specific test rig, allowing the flow direction as well as the rotational direction of the investigated pump to be reverted. By measuring the pump performance (head and efficiency) at variable positive and negative discharge and rotation the complete pump characteristics are evaluated. Nowadays CFD- analysis allows for the reliable prediction of the hydraulic performance of a pump near the design point. However, abnormal operating conditions lead to complex and unsteady flow phenomena inside the pump. Besides steady-state calculations in the normal operating conditions quite comprehensive transient CFD-investigations are required to simulate the whole pump characteristics accurately. The present study focuses on the comparison of the results obtained on the test rig and by numerical methods and shows a remarkably good agreement between them. It can be shown that it is possible to reliably simulate the 4-quadrant behaviour of a mixed flow diffuser pump based on CFD-methods. Furthermore an exemplary waterhammer calculation shows the successful application of the numerically calculated 4- quadrant behaviour.

  11. A simple and green analytical method for determination of glyphosate in commercial formulations and water by diffuse reflectance spectroscopy.

    PubMed

    da Silva, Aline Santana; Fernandes, Flávio Cesar Bedatty; Tognolli, João Olímpio; Pezza, Leonardo; Pezza, Helena Redigolo

    2011-09-01

    This article describes a simple, inexpensive, and environmentally friendly method for the monitoring of glyphosate using diffuse reflectance spectroscopy. The proposed method is based on reflectance measurements of the colored compound produced from the spot test reaction between glyphosate and p-dimethylaminocinnamaldehyde (p-DAC) in acid medium, using a filter paper as solid support. Experimental designs were used to optimize the analytical conditions. All reflectance measurements were carried out at 495 nm. Under optimal conditions, the glyphosate calibration graphs obtained by plotting the optical density of the reflectance signal (AR) against the concentration were linear in the range 50-500 μg mL(-1), with a correlation coefficient of 0.9987. The limit of detection (LOD) for glyphosate was 7.28 μg mL(-1). The technique was successfully applied to the direct determination of glyphosate in commercial formulations, as well as in water samples (river water, pure water and mineral drinking water) after a previous clean-up or pre-concentration step. Recoveries were in the ranges 93.2-102.6% and 91.3-102.9% for the commercial formulations and water samples, respectively.

  12. A simple and green analytical method for determination of glyphosate in commercial formulations and water by diffuse reflectance spectroscopy

    NASA Astrophysics Data System (ADS)

    da Silva, Aline Santana; Fernandes, Flávio Cesar Bedatty; Tognolli, João Olímpio; Pezza, Leonardo; Pezza, Helena Redigolo

    2011-09-01

    This article describes a simple, inexpensive, and environmentally friendly method for the monitoring of glyphosate using diffuse reflectance spectroscopy. The proposed method is based on reflectance measurements of the colored compound produced from the spot test reaction between glyphosate and p-dimethylaminocinnamaldehyde ( p-DAC) in acid medium, using a filter paper as solid support. Experimental designs were used to optimize the analytical conditions. All reflectance measurements were carried out at 495 nm. Under optimal conditions, the glyphosate calibration graphs obtained by plotting the optical density of the reflectance signal (A R) against the concentration were linear in the range 50-500 μg mL -1, with a correlation coefficient of 0.9987. The limit of detection (LOD) for glyphosate was 7.28 μg mL -1. The technique was successfully applied to the direct determination of glyphosate in commercial formulations, as well as in water samples (river water, pure water and mineral drinking water) after a previous clean-up or pre-concentration step. Recoveries were in the ranges 93.2-102.6% and 91.3-102.9% for the commercial formulations and water samples, respectively.

  13. Measuring diffusivity in supercooled liquid nanoscale films using inert gas permeation. I. Kinetic model and scaling methods.

    PubMed

    Smith, R Scott; Matthiesen, Jesper; Kay, Bruce D

    2010-11-07

    We describe in detail a diffusion model used to simulate inert gas transport through supercooled liquid overlayers. In recent work, the transport of the inert gas has been shown to be an effective probe of the diffusivity of supercooled liquid methanol in the experimentally challenging regime near the glass transition temperature. The model simulations accurately and quantitatively describe the inert gas permeation desorption spectra. The simulation results are used to validate universal scaling relationships between the diffusivity, overlayer thickness, and the temperature ramp rate for isothermal and temperature programmed desorption. From these scaling relationships we derive simple equations from which the diffusivity can be obtained using the peak desorption time or temperature for an isothermal or set of TPD experiments, respectively, without numerical simulation. The results presented here demonstrate that the permeation of gases through amorphous overlayers has the potential to be a powerful technique to obtain diffusivity data in deeply supercooled liquids.

  14. Method for estimation of refractive index and size distribution of aerosol using direct and diffuse solar irradiance and aureole by means of simulated annealing

    NASA Astrophysics Data System (ADS)

    Arai, Kohei; Liang, XingMing

    2003-12-01

    An estimation method for refractive index and size distribution of aerosols using measurements of direct and diffuse solar irradiance as well as the solar aureole by means of a modified simulated annealing is proposed. The proposed method is based on simulated annealing modified to acceralate a learning process by using a gradually decreasing oscillation function of temperature of annealing. By a using Gauss Seidel based atmospheric code, simulation data of direct and diffuse solar irradiance are generated together with estimated aureole measurements by means of an empirical method derived from experimental data. A comparison between the existing method proposed by P Romanov et.al. based on a linear inversion method and the proposed method is made. The results show double improvement of the estimation accuracy for both the aerosol size distribution and refractive index.

  15. Development of a Nodal Method for the Solution of the Neutron Diffusion Equation in General Cylindrical Geometry

    SciTech Connect

    Ougouag, Abderrafi Mohammed-El-Ami; Terry, William Knox

    2002-04-01

    The usual strategy for solving the neutron diffusion equation in two or three dimensions by nodal methods is to reduce the multidimensional partial differential equation to a set of ordinary differential equations (ODEs) in the separate spatial coordinates. This reduction is accomplished by “transverse integration” of the equation.1 For example, in three-dimensional Cartesian coordinates, the three-dimensional equation is first integrated over x and y to obtain an ODE in z, then over x and z to obtain an ODE in y, and finally over y and z to obtain an ODE in x. Then the ODEs are solved to obtain onedimensional solutions for the neutron fluxes averaged over the other two dimensions. These solutions are found in regions (“nodes”) small enough for the material properties and cross sections in them to be adequately represented by average values. Because the solution in each node is an exact analytical solution, the nodes can be much larger than the mesh elements used in finite-difference solutions. Then the solutions in the different nodes are coupled by applying interface conditions, ultimately fixing the solutions to the external boundary conditions.

  16. Effect of the 5E Model on Prospective Teachers' Conceptual Understanding of Diffusion and Osmosis: A Mixed Method Approach

    NASA Astrophysics Data System (ADS)

    Artun, Hüseyin; Coştu, Bayram

    2013-02-01

    The aim of this study was to explore a group of prospective primary teachers' conceptual understanding of diffusion and osmosis as they implemented a 5E constructivist model and related materials in a science methods course. Fifty prospective primary teachers' ideas were elicited using a pre- and post-test and delayed post-test survey consisting of ten two-tier questions of which an explanatory part was integral. Individual interviews were conducted with six prospective teachers at the end of the implementation of the unit using four questions. Test scores were analyzed quantitatively and qualitatively. Post-instructional interviews were analyzed qualitatively. Statistical analysis using one-way ANOVA of student test scores pointed to statistically significant differences between pre- and post- and delayed post-test ( p < 0.05). A qualitative analysis of the prospective teachers' explanations in the two-tier questions revealed changes in their ideas overtime. Both quantitative and qualitative analyses suggest that the teaching activities promoted students' conceptual understanding. No statistically significant differences were found between post-test and delayed post-test scores, suggesting that the teaching activities based on 5E model enabled students to retain their new conceptual understanding.

  17. Preparation of sustained-release nitrendipine microspheres with Eudragit RS and Aerosil using quasi-emulsion solvent diffusion method.

    PubMed

    Yang, Ming shi; Cui, Fu de; You, Ben gang; Fan, Yu ling; Wang, Liang; Yue, Peng; Yang, He

    2003-06-18

    Sustained-release nitrendipine microspheres were prepared in liquid system by quasi-emulsion solvent diffusion method, in which the Aerosil was employed as an inert dispersing carrier to improve the dissolution rate of nitrendipine, and Eudragit RS as a retarding agent to control the release rate. The resultant microspheres were evaluated for the recovery, bulk density, average particle size, drug loading, and incorporation efficiency. And the factors affecting the formation of microspheres and the drug-release rate were investigated. It was observed by a scanning electron microscope (SEM) that the microspheres were finely spherical and uniform, and no entire nitrendipine crystals were observed visually. The results of X-ray diffraction indicated that nitrendipine in microspheres was disordered, suggesting that nitrendipine was highly dispersed in microspheres. The drug loading of microspheres was enhanced with increasing the ratio of drug to excipients, and the incorporation efficiency was always >90%. The formation of microspheres was mainly influenced by the amount of bridging liquid and sodium dodecyl sulfate (SDS) in poor solvent. The dissolution profiles could be modulated with adjusting the amount of retarding agent and dispersing carrier formulated.

  18. Assessment of a multi-layered diffuse correlation spectroscopy method for monitoring cerebral blood flow in adults

    PubMed Central

    Verdecchia, Kyle; Diop, Mamadou; Lee, Albert; Morrison, Laura B.; Lee, Ting-Yim; St. Lawrence, Keith

    2016-01-01

    Diffuse correlation spectroscopy (DCS) is a promising technique for brain monitoring as it can provide a continuous signal that is directly related to cerebral blood flow (CBF); however, signal contamination from extracerebral tissue can cause flow underestimations. The goal of this study was to investigate whether a multi-layered (ML) model that accounts for light propagation through the different tissue layers could successfully separate scalp and brain flow when applied to DCS data acquired at multiple source-detector distances. The method was first validated with phantom experiments. Next, experiments were conducted in a pig model of the adult head with a mean extracerebral tissue thickness of 9.8 ± 0.4 mm. Reductions in CBF were measured by ML DCS and computed tomography perfusion for validation; excellent agreement was observed by a mean difference of 1.2 ± 4.6% (CI95%: −31.1 and 28.6) between the two modalities, which was not significantly different. PMID:27699127

  19. Prediction of external corrosion for steel cylinders at the Paducah Gaseous Diffusion Plant: Application of an empirical method

    SciTech Connect

    Lyon, B.F.

    1996-02-01

    During the summer of 1995, ultrasonic wall thickness data were collected for 100 steel cylinders containing depleted uranium (DU) hexafluoride located at Paducah Gaseous Diffusion Plant (PGDP) in Paducah, Kentucky. The cylinders were selected for measurement to assess the condition of the more vulnerable portion of the cylinder inventory at PGDP. The purpose of this report is to apply the method used in Lyon to estimate the effects of corrosion for larger unsampled populations as a function of time. The scope of this report is limited and is not intended to represent the final analyses of available data. Future efforts will include continuing analyses of available data to investigate defensible deviations from the conservative assumptions made to date. For each cylinder population considered, two basic types of analyses were conducted: (1) estimates were made of the number of cylinders as a function of time that will have a minimum wall thickness of either 0 mils (1 mil = 0.00 1 in.) or 250 mils and (2) the current minimum wall thickness distributions across cylinders were estimated for each cylinder population considered. Additional analyses were also performed investigating comparisons of the results for F and G yards with the results presented in Lyon (1995).

  20. The pseudo-compartment method for coupling partial differential equation and compartment-based models of diffusion.

    PubMed

    Yates, Christian A; Flegg, Mark B

    2015-05-06

    Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs), which assumes there are sufficient densities of particles that a continuum approximation is valid. However, owing to recent advances in computational power, the simulation and therefore postulation, of computationally intensive individual-based models has become a popular way to investigate the effects of noise in reaction-diffusion systems in which regions of low copy numbers exist. The specific stochastic models with which we shall be concerned in this manuscript are referred to as 'compartment-based' or 'on-lattice'. These models are characterized by a discretization of the computational domain into a grid/lattice of 'compartments'. Within each compartment, particles are assumed to be well mixed and are permitted to react with other particles within their compartment or to transfer between neighbouring compartments. Stochastic models provide accuracy, but at the cost of significant computational resources. For models that have regions of both low and high concentrations, it is often desirable, for reasons of efficiency, to employ coupled multi-scale modelling paradigms. In this work, we develop two hybrid algorithms in which a PDE in one region of the domain is coupled to a compartment-based model in the other. Rather than attempting to balance average fluxes, our algorithms answer a more fundamental question: 'how are individual particles transported between the vastly different model descriptions?' First, we present an algorithm derived by carefully redefining the continuous PDE concentration as a probability distribution. While this first algorithm shows very strong convergence to analytical solutions of test problems, it can be cumbersome to simulate. Our second algorithm is a simplified and more efficient implementation of

  1. Designing a Software for Flood Risk Assessment Based on Multi Criteria Desicion Analysis and Information Diffusion Methods

    NASA Astrophysics Data System (ADS)

    Musaoglu, N.; Saral, A.; Seker, D. Z.

    2012-12-01

    Flooding is one of the major natural disasters not only in Turkey but also in all over the world and it causes serious damage and harm. It is estimated that of the total economic loss caused by all kinds of disasters, 40% was due to floods. In July 1995, the Ayamama Creek in Istanbul was flooded, the insurance sector received around 1,200 claims notices during that period, insurance companies had to pay a total of $40 million for claims. In 2009, the same creek was flooded again and killed 31 people over two days and insurance firms paid for damages around cost €150 million for claims. To solve these kinds of problems modern tools such as GIS and Remote Sensing should be utilized. In this study, a software was designed for the flood risk analysis with Analytic Hierarchy Process (AHP) and Information Diffusion( InfoDif) methods.In the developed sofware, five evaluation criterias were taken into account, which were slope, aspect, elevation, geology and land use which were extracted from the satellite sensor data. The Digital Elevation Model (DEM) of the Ayamama River Basin was acquired from the SPOT 5 satellite image with 2.5 meter spatial resolution. Slope and aspect values of the study basin were extracted from this DEM. The land use of the Ayamama Creek was obtained by performing object-oriented nearest neighbor classification method by image segmentation on SPOT 5 image dated 2010. All produced data were used as an input for the part of Multi Criteria Desicion Analysis (MCDA) method of this software. Criterias and their each sub criteras were weighted and flood vulnerability was determined with MCDA-AHP. Also, daily flood data was collected from Florya Meteorological Station, between 1975 to 2009 years and the daily flood peak discharge was calculated with the method of Soil Conservation Service-Curve Number (SCS-CN) and were used as an input in the software for the part of InfoDif.Obtained results were verified using ground truth data and it has been clearly

  2. Limits of Spatial Resolution for Thermography and Other Non-destructive Imaging Methods Based on Diffusion Waves.

    PubMed

    Burgholzer, Peter; Hendorfer, Günther

    2013-01-01

    In this work the measured variable, such as temperature, is a random variable showing fluctuations. The loss of information caused by diffusion waves in non-destructive testing can be described by stochastic processes. In non-destructive imaging, the information about the spatial pattern of a samples interior has to be transferred to the sample surface by certain waves, e.g., thermal waves. At the sample surface these waves can be detected and the interior structure is reconstructed from the measured signals. The amount of information about the interior of the sample, which can be gained from the detected waves on the sample surface, is essentially influenced by the propagation from its excitation to the surface. Diffusion causes entropy production and information loss for the propagating waves. Mandelis has developed a unifying framework for treating diverse diffusion-related periodic phenomena under the global mathematical label of diffusion-wave fields, such as thermal waves. Thermography uses the time-dependent diffusion of heat (either pulsed or modulated periodically) which goes along with entropy production and a loss of information. Several attempts have been made to compensate for this diffusive effect to get a higher resolution for the reconstructed images of the samples interior. In this work it is shown that fluctuations limit this compensation. Therefore, the spatial resolution for non-destructive imaging at a certain depth is also limited by theory.

  3. THREE-DIMENSIONAL LAGRANGIAN TURBULENT DIFFUSION OF DUST GRAINS IN A PROTOPLANETARY DISK: METHOD AND FIRST APPLICATIONS

    SciTech Connect

    Charnoz, Sebastien; Aleon, Jerome

    2011-08-10

    In order to understand how the chemical and isotopic compositions of dust grains in a gaseous turbulent protoplanetary disk are altered during their journey in the disk, it is important to determine their individual trajectories. We study here the dust-diffusive transport using Lagrangian numerical simulations using the popular 'turbulent diffusion' formalism. However, it is naturally expressed in an Eulerian form, which does not allow the trajectories of individual particles to be studied. We present a simple stochastic and physically justified procedure for modeling turbulent diffusion in a Lagrangian form that overcomes these difficulties. We show that a net diffusive flux F of the dust appears and that it is proportional to the gas density ({rho}) gradient and the dust diffusion coefficient D{sub d}: (F = D{sub d} /{rho} x grad({rho})). It induces an inward transport of dust in the disk's midplane, while favoring outward transport in the disk's upper layers. We present tests and applications comparing dust diffusion in the midplane and upper layers as well as sample trajectories of particles with different sizes. We also discuss potential applications for cosmochemistry and smoothed particle hydrodynamic codes.

  4. Sparse Reconstruction Challenge for diffusion MRI: Validation on a physical phantom to determine which acquisition scheme and analysis method to use?

    PubMed Central

    Ning, Lipeng; Laun, Frederik; Gur, Yaniv; DiBella, Edward V. R.; Deslauriers-Gauthier, Samuel; Megherbi, Thinhinane; Ghosh, Aurobrata; Zucchelli, Mauro; Menegaz, Gloria; Fick, Rutger; St-Jean, Samuel; Paquette, Michael; Aranda, Ramon; Descoteaux, Maxime; Deriche, Rachid; O’Donnell, Lauren; Rathi, Yogesh

    2015-01-01

    Diffusion magnetic resonance imaging (dMRI) is the modality of choice for investigating in-vivo white matter connectivity and neural tissue architecture of the brain. The diffusion-weighted signal in dMRI reflects the diffusivity of water molecules in brain tissue and can be utilized to produce image-based biomarkers for clinical research. Due to the constraints on scanning time, a limited number of measurements can be acquired within a clinically feasible scan time. In order to reconstruct the dMRI signal from a discrete set of measurements, a large number of algorithms have been proposed in recent years in conjunction with varying sampling schemes, i.e., with varying b-values and gradient directions. Thus, it is imperative to compare the performance of these reconstruction methods on a single data set to provide appropriate guidelines to neuroscientists on making an informed decision while designing their acquisition protocols. For this purpose, the SParse Reconstruction Challenge (SPARC) was held along with the workshop on Computational Diffusion MRI (at MICCAI 2014) to validate the performance of multiple reconstruction methods using data acquired from a physical phantom. A total of 16 reconstruction algorithms (9 teams) participated in this community challenge. The goal was to reconstruct single b-value and/or multiple b-value data from a sparse set of measurements. In particular, the aim was to determine an appropriate acquisition protocol (in terms of the number of measurements, b-values) and the analysis method to use for a neuroimaging study. The challenge did not delve on the accuracy of these methods in estimating model specific measures such as fractional anisotropy (FA) or mean diffusivity, but on the accuracy of these methods to fit the data. This paper presents several quantitative results pertaining to each reconstruction algorithm. The conclusions in this paper provide a valuable guideline for choosing a suitable algorithm and the corresponding

  5. Calculation of hydrogen and oxygen uptake in fuel rod cladding during severe accidents using the integral diffusion method -- Final Design Report

    SciTech Connect

    Siefken, L.J.

    1999-05-01

    Final designs are described for models of hydrogen and oxygen uptake in fuel rod cladding during severe accidents. Calculation of the uptake involves the modeling of seven processes: (1) diffusion of oxygen from the bulk gas into the boundary layer at the external cladding surface, (2) diffusion from the boundary layer into the oxide layer, (3) diffusion from the inner surface of the oxide layer into the metallic part of the cladding, (4) uptake of hydrogen in the event that the cladding oxide layer is dissolved in a steam-starved region, (5) embrittlement of cladding due to hydrogen uptake, (6) cracking of cladding during quenching due to its embrittlement and (7) release of hydrogen from the cladding after cracking of the cladding. An integral diffusion method is described for calculating the diffusion processes in the cladding. Experimental results are presented that show a rapid uptake of hydrogen in the event of dissolution of the oxide layer and a rapid release of hydrogen in the event of cracking of the oxide layer. These experimental results are used as a basis for calculating the rate of hydrogen uptake and the rate of hydrogen release. A description is given of the implementation of the models for hydrogen and oxygen uptake and cladding embrittlement into the programming framework of the SCDAP/RELAP5/MOD3.3 code.

  6. Calculation of Hydrogen and Oxygen Uptake in Fuel Rod Cladding During Severe Accidents Using the Integral Diffusion Method - Final Design Report

    SciTech Connect

    Siefken, Larry James

    1999-06-01

    Final designs are described for models of hydrogen and oxygen uptake in fuel rod cladding during severe accidents. Calculation of the uptake involves the modeling of seven processes: (1) diffusion of oxygen from the bulk gas into the boundary layer at the external cladding surface, (2) diffusion from the boundary layer into the oxide layer, (3) diffusion from the inner surface of the oxide layer into the metallic part of the cladding, (4) uptake of hydrogen in the event that the cladding oxide layer is dissolved in a steam-starved region, (5) embrittlement of cladding due to hydrogen uptake, (6) cracking of cladding during quenching due to its embrittlement and (7) release of hydrogen from the cladding after cracking of the cladding. An integral diffusion method is described for calculating the diffusion processes in the cladding. Experimental results are presented that show a rapid uptake of hydrogen in the event of dissolution of the oxide layer and a rapid release of hydrogen in the event of cracking of the oxide layer. These experimental results are used as a basis for calculating the rate of hydrogen uptake and the rate of hydrogen release. A description is given of the implementation of the models for hydrogen and oxygen uptake and cladding embrittlement into the programming framework of the SCDAP/RELAP5/MOD3.3 code.

  7. Comparison of E-Test, disk diffusion and a modified CLSI broth microdilution (M 38-A) method for in vitro testing of itraconazole, fluconazole and voriconazole against dermatophytes.

    PubMed

    Méndez, Carmen Castro; Serrano, Maria Carmen; Valverde, Anastasio; Pemán, Javier; Almeida, Carmen; Martín-Mazuelos, Estrella

    2008-03-01

    We compared two agar-based methods, the E-test and the disk diffusion method with the Clinical Laboratory Standards Institute (CLSI) reference broth microdilution method (CLSI M38-A; MD). Forty six dermatophytes strains including 30 Trichophyton mentagrophytes, 8 T. rubrum and 8 M. gypseum were tested against three antifungal agents, i.e., fluconazole (FLC), itraconazole (ITC) and voriconazole (VRC). The level of agreement between the E-test and MD (+/-2 dilutions) was 45.6% for fluconazole, 19.5% for itraconazole and 52.1% for voriconazole. The results obtained with disk diffusion had low correlation with the results obtained by the CLSI broth microdilution reference method with azoles.

  8. Use of passive diffusion sampling method for defining NO2 concentrations gradient in São Paulo, Brazil

    PubMed Central

    da Silva, Agnes Soares; Cardoso, Maria Regina; Meliefste, Kees; Brunekreef, Bert

    2006-01-01

    Background Air pollution in São Paulo is constantly being measured by the State of Sao Paulo Environmental Agency, however there is no information on the variation between places with different traffic densities. This study was intended to identify a gradient of exposure to traffic-related air pollution within different areas in São Paulo to provide information for future epidemiological studies. Methods We measured NO2 using Palmes' diffusion tubes in 36 sites on streets chosen to be representative of different road types and traffic densities in São Paulo in two one-week periods (July and August 2000). In each study period, two tubes were installed in each site, and two additional tubes were installed in 10 control sites. Results Average NO2 concentrations were related to traffic density, observed on the spot, to number of vehicles counted, and to traffic density strata defined by the city Traffic Engineering Company (CET). Average NO2concentrations were 63μg/m3 and 49μg/m3 in the first and second periods, respectively. Dividing the sites by the observed traffic density, we found: heavy traffic (n = 17): 64μg/m3 (95% CI: 59μg/m3 – 68μg/m3); local traffic (n = 16): 48μg/m3 (95% CI: 44μg/m3 – 52μg/m3) (p < 0.001). Conclusion The differences in NO2 levels between heavy and local traffic sites are large enough to suggest the use of a more refined classification of exposure in epidemiological studies in the city. Number of vehicles counted, traffic density observed on the spot and traffic density strata defined by the CET might be used as a proxy for traffic exposure in São Paulo when more accurate measurements are not available. PMID:16772044

  9. Diffusion MRI

    NASA Astrophysics Data System (ADS)

    Fukuyama, Hidenao

    Recent advances of magnetic resonance imaging have been described, especially stressed on the diffusion sequences. We have recently applied the diffusion sequence to functional brain imaging, and found the appropriate results. In addition to the neurosciences fields, diffusion weighted images have improved the accuracies of clinical diagnosis depending upon magnetic resonance images in stroke as well as inflammations.

  10. Development of More Cost-Effective Methods for Long-Term Monitoring of Soil Vapor Intrusion to Indoor Air Using Quantitative Passive Diffusive-Adsorptive Sampling Techniques

    DTIC Science & Technology

    2015-05-01

    ER-200830) Development of More Cost-Effective Methods for Long-Term Monitoring of Soil Vapor Intrusion to Indoor Air Using...Methods for Long-Term Monitoring of Soil Vapor Intrusion to Indoor Air Using Quantitative Passive Diffusive-Adsorptive Sampling Techniques W912HQ-08-C...volatile organic compounds (VOCs) at sites with potential human health risks. These risks were attributable to subsurface vapor intrusion to indoor air by

  11. On the possibility of obtaining non-diffused proximity functions from cloud-chamber data: II. Maximum entropy and Bayesian methods.

    PubMed

    Zaider, M; Minerbo, G N

    1988-11-01

    Maximum entropy and Bayesian methods are applied to an inversion problem which consists of unfolding diffusion from proximity functions calculated from cloud-chamber data. The solution appears to be relatively insensitive to statistical errors in the data (an important feature) given the limited number of tracks normally available from cloud-chamber measurements. It is the first time, to our knowledge, that such methods are applied to microdosimetry.

  12. Phase singularity diffusion.

    PubMed

    Cheng, Xiaojun; Lockerman, Yitzchak; Genack, Azriel Z

    2014-06-01

    We follow the trajectories of phase singularities at nulls of intensity in the speckle pattern of waves transmitted through random media as the frequency of the incident radiation is scanned in microwave experiments and numerical simulations. Phase singularities are observed to diffuse with a linear increase of the square displacement 〈R2〉 with frequency shift. The product of the diffusion coefficient of phase singularities in the transmitted speckle pattern and the photon diffusion coefficient through the random medium is proportional to the square of the effective sample length. This provides the photon diffusion coefficient and a method for characterizing the motion of dynamic material systems.

  13. Thermal diffusivity anisotropy measured by a temperature wave method in the homologous series of (p-alkoxybenzylidene)-p'-octylaniline (nO.8).

    PubMed

    Uehara, Michiru; Takezoe, Hideo; Vaupotič, Nataša; Pociecha, Damian; Gorecka, Ewa; Aoki, Yoshio; Morikawa, Junko

    2015-08-21

    The anisotropy of thermal diffusivity in four homologues of (p-alkoxybenzylidene)-p'-octylaniline (nO.8, n = 4 - 7) was measured using a temperature wave method. The results show that the thermal diffusivity component along the director (α(∥)) is considerably larger than that perpendicular to the director (α(⊥)) in all mesophases, i.e., nematic (N), smectic A (SmA), smectic B (SmB), and smectic G (SmG) phases. Both components of the thermal diffusivity show a dip at the second- or weakly first-order N-SmA phase transition due to the heat capacity anomaly. In contrast, at the first-order SmA-SmB phase transition, thermal diffusivity exhibits a stepwise increase. The x-ray and calorimetric measurements enable a calculation of the thermal conductivity and the study of the effect of the molecular length on the thermal conductivity and diffusivity in the SmA and SmB phases. For the homologues n = 4, 5, and 6, which exhibit the same phase sequence upon cooling, the parallel component of the thermal conductivity k(∥) in the SmA and SmB phases systematically increases with increasing length of the molecular tails, while no such increase is observed in the thermal diffusivity α(∥). We thus conclude that the molecular model [Urbach et al., J. Chem. Phys. 78, 5113 (1983)] is valid for the qualitative prediction of the effect of the molecular length on the magnitude of the thermal conductivity.

  14. Turbo fluid machinery and diffusers

    NASA Technical Reports Server (NTRS)

    Sakurai, T.

    1984-01-01

    The general theory behind turbo devices and diffusers is explained. Problems and the state of research on basic equations of flow and experimental and measuring methods are discussed. Conventional centrifugation-type compressor and fan diffusers are considered in detail.

  15. The effect of heat treatment on structural and electronic properties of niobium nitride prepared by a thermal diffusion method

    DOE PAGES

    Farha, Ashraf Hassan; Ozkendir, Osman Murat; Elsayed-Ali, Hani E.; ...

    2016-11-15

    NbN coatings are prepared onto Nb substrate by thermal diffusion at high temperatures. The formation of NbN coating by thermal diffusion was studied in the range of 1250-1500 °C at constant nitrogen background gas pressure (1.3x10-3 Pa) and processing time (180 min). The electronic and crystal structures of the NbN coatings were investigated. It was found that nitrogen diffuses into Nb forming the Nb-N solid solution (bcc) a-NbN phase that starts to appear above 1250 °C. Increasing the processing temperature gives richer a-phase concentration. Besides, X-ray absorption spectroscopy (XAS) was performed to study the electronic structure of the NbN layer.more » The results of the electronic structural study corroborate the crystal structural analysis. The Nb M3,2 edge X-ray absorption spectroscopy (XAS) spectrum shows strong temperature dependence. At the highest processing temperature (1500 °C), the number of d holes increased. Nitrogen diffusion into Nb is resulting to increase electrostatic interaction between d electron and core hole. Lastly, for the studied conditions, only the α-NbN was observed in the X-ray diffraction patterns.« less

  16. The effect of heat treatment on structural and electronic properties of niobium nitride prepared by a thermal diffusion method

    SciTech Connect

    Farha, Ashraf Hassan; Ozkendir, Osman Murat; Elsayed-Ali, Hani E.; Myneni, Ganapati; Ufuktepe, Yuksel

    2016-11-15

    NbN coatings are prepared onto Nb substrate by thermal diffusion at high temperatures. The formation of NbN coating by thermal diffusion was studied in the range of 1250-1500 °C at constant nitrogen background gas pressure (1.3x10-3 Pa) and processing time (180 min). The electronic and crystal structures of the NbN coatings were investigated. It was found that nitrogen diffuses into Nb forming the Nb-N solid solution (bcc) a-NbN phase that starts to appear above 1250 °C. Increasing the processing temperature gives richer a-phase concentration. Besides, X-ray absorption spectroscopy (XAS) was performed to study the electronic structure of the NbN layer. The results of the electronic structural study corroborate the crystal structural analysis. The Nb M3,2 edge X-ray absorption spectroscopy (XAS) spectrum shows strong temperature dependence. At the highest processing temperature (1500 °C), the number of d holes increased. Nitrogen diffusion into Nb is resulting to increase electrostatic interaction between d electron and core hole. Lastly, for the studied conditions, only the α-NbN was observed in the X-ray diffraction patterns.

  17. Diffuse-reflectance fourier-transform mid-infrared spectroscopy as a method of characterizing changes in soil organic matter

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Diffuse-Reflectance Fourier-Transform Mid-Infrared Spectroscopy (MidIR) can identify the presence of important organic functional groups in soil organic matter (SOM). Soils contain myriad organic and inorganic components that absorb in the MidIR so spectral interpretation needs to be validated in or...

  18. A Minimum Energy Fit Method to Reconstruct Photospheric Velocity and Magnetic Diffusivity in Active Regions from Observed Magnetograms and Dopplergrams

    NASA Astrophysics Data System (ADS)

    Tremblay, Benoit; Vincent, Alain

    2015-02-01

    We introduce MEF-R, a generalization of the minimum energy fit (MEF; Longcope, Astrophys. J. 612, 1181, 2004) to a non-ideal (resistive) gas. The new technique requires both vector magnetograms and Doppler velocities as input fields. However, in the case of active regions observed only with the Michelson-Doppler Imager (MDI) onboard the Solar and Heliospheric Observatory (SOHO) such as AR 9077, we have only access to line-of-sight magnetograms. We reconstruct two-dimensional maps of the magnetic diffusivity η( x, y) together with velocity components v x ( x, y), v y ( x, y), and v z ( x, y) under the linear force-free magnetic field approximation. Computed maps for v z ( x, y) very well match the Doppler velocities v r ( x, y). We find the average value < η>≈108 m2 s-1 with a standard deviation of ≈ 1010 m2 s-1. Such high values of η( x, y) are to be expected at some places since our magnetic diffusivity is actually eddy-diffusivity. Inside AR 9077, the maps of η( x, y) do not resemble closely the maps from classical models of the magnetic diffusivity, but they are closer to η as a function of temperature than to η as a function of electric current density.

  19. Analyses of Disruption of Cerebral White Matter Integrity in Schizophrenia with MR Diffusion Tensor Fiber Tracking Method

    NASA Astrophysics Data System (ADS)

    Yamamoto, Utako; Kobayashi, Tetsuo; Kito, Shinsuke; Koga, Yoshihiko

    We have analyzed cerebral white matter using magnetic resonance diffusion tensor imaging (MR-DTI) to measure the diffusion anisotropy of water molecules. The goal of this study is the quantitative evaluation of schizophrenia. Diffusion tensor images are acquired for patients with schizophrenia and healthy comparison subjects, group-matched for age, sex, and handedness. Fiber tracking is performed on the superior longitudinal fasciculus for the comparison between the patient and comparison groups. We have analysed and compared the cross-sectional area on the starting coronal plane and the mean and standard deviation of the fractional anisotropy and the apparent diffusion coefficient along fibers in the right and left hemispheres. In the right hemisphere, the cross-sectional areas in patient group are significantly smaller than those in the comparison group. Furthermore, in the comparison group, the cross-sectional areas in the right hemisphere are significantly larger than those in the left hemisphere, whereas there is no significant difference in the patient group. These results suggest that we may evaluate the disruption in white matter integrity in schizophrenic patients quantitatively by comparing the cross-sectional area of the superior longitudinal fasciculus in the right and left hemispheres.

  20. LABORATORY ASSESSMENT OF THE PERMEABILITY AND DIFFUSION CHARACTERISTICS OF FLORIDA CONCRETES - PHASE I - METHODS DEVELOPMENT AND TESTING

    EPA Science Inventory

    The report gives results of Phase I of a laboratory assessment of the permeability and diffusion characteristics of Florida concretes. (NOTE: The ability of concrete to permit air flow under pressure (permeability) and the passage of radon gas without any pressure difference (dif...