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Sample records for heterogeneous medium calculated

  1. Godunov Method for Calculating Multicomponent Heterogeneous Medium Flows

    NASA Astrophysics Data System (ADS)

    Surov, V. S.

    2014-03-01

    The modified Godunov method intended for integrating the nondivergent systems that describe a multivelocity heterogeneous mixture flow is presented. The linearized Riemann solver has been used in solving the Riemann problems.

  2. A Heterogeneous Medium Analytical Benchmark

    SciTech Connect

    Ganapol, B.D.

    1999-09-27

    A benchmark, called benchmark BLUE, has been developed for one-group neutral particle (neutron or photon) transport in a one-dimensional sub-critical heterogeneous plane parallel medium with surface illumination. General anisotropic scattering is accommodated through the Green's Function Method (GFM). Numerical Fourier transform inversion is used to generate the required Green's functions which are kernels to coupled integral equations that give the exiting angular fluxes. The interior scalar flux is then obtained through quadrature. A compound iterative procedure for quadrature order and slab surface source convergence provides highly accurate benchmark qualities (4- to 5- places of accuracy) results.

  3. Overview of medium heterogeneity and transport processes

    SciTech Connect

    Tsang, Y.; Tsang, C.F.

    1993-11-01

    Medium heterogeneity can have significant impact on the behavior of solute transport. Tracer breakthrough curves from transport in a heterogeneous medium are distinctly different from that in a homogeneous porous medium. Usually the shape of the breakthrough curves are highly non-symmetrical with a fast rise at early times and very long tail at late times, and often, they consist of multiple peaks. Moreover, unlike transport in a homogeneous medium where the same transport parameters describe the entire medium, transport through heterogeneous media gives rise to breakthrough curves which have strong spatial dependence. These inherent characteristics of transport in heterogeneous medium present special challenge to the performance assessment of a potential high level nuclear waste repository with respect to the possible release of radio nuclides to the accessible environment. Since an inherently desirable site characteristic for a waste repository is that flow and transport should be slow, then transport measurements in site characterization efforts will necessarily be spatially small and temporally short compare to the scales which are of relevance to performance assessment predictions. In this paper we discuss the role of medium heterogeneity in site characterization and performance assessment. Our discussion will be based on a specific example of a 3D heterogeneous stochastic model of a site generally similar to, the Aespoe Island, the site of the Hard Rock Laboratory in Southern Sweden. For our study, alternative 3D stochastic fields of hydraulic conductivities conditioned on ``point`` measurements shall be generated. Results of stochastic flow and transport simulations would be used to address the issues of (1) the relationship of tracer breakthrough with the structure of heterogeneity, and (2) the inference from small scale testing results to large scale and long term predictions.

  4. Fluorescence lifetime measurements in heterogeneous scattering medium

    NASA Astrophysics Data System (ADS)

    Nishimura, Goro; Awasthi, Kamlesh; Furukawa, Daisuke

    2016-07-01

    Fluorescence lifetime in heterogeneous multiple light scattering systems is analyzed by an algorithm without solving the diffusion or radiative transfer equations. The algorithm assumes that the optical properties of medium are constant in the excitation and emission wavelength regions. If the assumption is correct and the fluorophore is a single species, the fluorescence lifetime can be determined by a set of measurements of temporal point-spread function of the excitation light and fluorescence at two different concentrations of the fluorophore. This method is not dependent on the heterogeneity of the optical properties of the medium as well as the geometry of the excitation-detection on an arbitrary shape of the sample. The algorithm was validated by an indocyanine green fluorescence in phantom measurements and demonstrated by an in vivo measurement.

  5. On fluid flow in a heterogeneous medium under nonisothermal conditions

    SciTech Connect

    D.W., Vasco

    2010-11-01

    An asymptotic technique, valid in the presence of smoothly-varying heterogeneity, provides explicit expressions for the velocity of a propagating pressure and temperature disturbance. The governing equations contain nonlinear terms due to the presence of temperature-dependent coefficients and due to the advection of fluids with differing temperatures. Two cases give well-defined expressions in terms of the parameters of the porous medium: the uncoupled propagation of a pressure disturbance and the propagation of a fully coupled temperature and pressure disturbance. The velocity of the coupled disturbance or front, depends upon the medium parameters and upon the change in temperature and pressure across the front. For uncoupled flow, the semi-analytic expression for the front velocity reduces to that associated with a linear diffusion equation. A comparison of the asymptotic travel time estimates with calculations from a numerical simulator indicates reasonably good agreement for both uncoupled and coupled disturbances.

  6. Effective parameters for two-phase flow in a porous medium with periodic heterogeneities

    NASA Astrophysics Data System (ADS)

    Ataie-Ashtiani, B.; Hassanizadeh, S. M.; Oostrom, M.; Celia, M. A.; White, M. D.

    2001-05-01

    Computational simulations of two-phase flow in porous media are used to investigate the feasibility of replacing a porous medium containing heterogeneities with an equivalent homogeneous medium. Simulations are performed for the case of infiltration of a dense nonaqueous phase liquid (DNAPL) in a water-saturated, heterogeneous porous medium. For two specific porous media, with periodic and rather simple heterogeneity patterns, the existence of a representative elementary volume (REV) is studied. Upscaled intrinsic permeabilities and upscaled nonlinear constitutive relationships for two-phase flow systems are numerically calculated and the effects of heterogeneities are evaluated. Upscaled capillary pressure-saturation curves for drainage are found to be distinctly different from the lower-scale curves for individual regions of heterogeneity. Irreducible water saturation for the homogenized medium is found to be much larger than the corresponding lower-scale values. Numerical simulations for both heterogeneous and homogeneous representations of the considered porous media are carried out. Although the homogenized model simulates the spreading behavior of DNAPL reasonably well, it still fails to match completely the results form the heterogeneous simulations. This seems to be due, in part, to the nonlinearities inherent to multiphase flow systems. Although we have focussed on a periodic heterogeneous medium in this study, our methodology is applicable to other forms of heterogeneous media. In particular, the procedure for identification of a REV, and associated upscaled constitutive relations, can be used for randomly heterogeneous or layered media as well.

  7. Modeling flow in a pressure-sensitive, heterogeneous medium

    SciTech Connect

    Vasco, Donald W.; Minkoff, Susan E.

    2009-06-01

    Using an asymptotic methodology, including an expansion in inverse powers of {radical}{omega}, where {omega} is the frequency, we derive a solution for flow in a medium with pressure dependent properties. The solution is valid for a heterogeneous medium with smoothly varying properties. That is, the scale length of the heterogeneity must be significantly larger then the scale length over which the pressure increases from it initial value to its peak value. The resulting asymptotic expression is similar in form to the solution for pressure in a medium in which the flow properties are not functions of pressure. Both the expression for pseudo-phase, which is related to the 'travel time' of the transient pressure disturbance, and the expression for pressure amplitude contain modifications due to the pressure dependence of the medium. We apply the method to synthetic and observed pressure variations in a deforming medium. In the synthetic test we model one-dimensional propagation in a pressure-dependent medium. Comparisons with both an analytic self-similar solution and the results of a numerical simulation indicate general agreement. Furthermore, we are able to match pressure variations observed during a pulse test at the Coaraze Laboratory site in France.

  8. Vigorous convection in a layered, heterogeneous porous medium

    NASA Astrophysics Data System (ADS)

    Hewitt, D.; Neufeld, J. A.; Lister, J. R.

    2014-12-01

    Convective flow in a porous medium plays an important role in numerous geophysical and industrial processes, and has recently been investigated in the context of geological CO2 sequestration. Previous studies of vigorous porous convection at high Rayleigh number Ra have focused on homogeneous porous media, whereas natural porous media are often highly heterogeneous. In particular, many geological porous formations are interspersed with thin, roughly horizontal, low-permeability layers. In order to gain understanding of the interaction of low-permeability layering with convective flow, and to develop simple parameterized models of the underlying physical processes, we have performed a numerical study of high-Ra convection in a two-dimensional porous medium that contains a thin, horizontal, low-permeability interior layer. The medium is heated at the lower boundary and cooled at the upper, which sets up statistically steady convective flow throughout the domain. This archetypal system is readily applicable to compositional convection, owing to an assumption of thermal equilibrium between solid and liquid phase in the medium. We show that, in the limit that both the dimensionless thickness h and permeability Π of the low-permeability layer are small, the flow is described solely by the impedance of the layer Ω= h/Π and by Ra. As Ω → 0 (i.e. h → 0), the system reduces to a homogeneous medium. We observe two notable features as Ω is increased: the dominant horizontal lengthscale of the flow increases; and, surprisingly, the heat flux through the cell, as measured by the Nusselt number Nu, can increase. For larger values of Ω, Nu always decreases. We explore the dependence of the flow on Ra, and develop simple theoretical models to describe some of the observed features of the relationship Nu(Ω). The theoretical models have implications for the simulation of convective dissolution of CO2 at reservoir scales, as heterogeneities can be much smaller than the grid

  9. An effective medium theory for three-dimensional elastic heterogeneities

    NASA Astrophysics Data System (ADS)

    Jordan, Thomas H.

    2015-11-01

    A second-order Born approximation is used to formulate a self-consistent theory for the effective elastic parameters of stochastic media with ellipsoidal distributions of small-scale heterogeneity. The covariance of the stiffness tensor is represented as the product of a one-point tensor variance and a two-point scalar correlation function with ellipsoidal symmetry, which separates the statistical properties of the local anisotropy from those of the geometric anisotropy. The spatial variations can then be rescaled to an isotropic distribution by a simple metric transformation; the spherical average of the strain Green's function in the transformed space reduces to a constant Kneer tensor, and the second-order corrections to the effective elastic parameters are given by the contraction of the rescaled Kneer tensor against the single-point variance of the stiffness tensor. Explicit results are derived for stochastic models in which the heterogeneity is transversely isotropic and its second moments are characterized by a horizontal-to-vertical aspect ratio η. If medium is locally isotropic, the expressions for the anisotropic effective moduli reduce in the limit η → ∞ to Backus's second-order expressions for a 1-D stochastic laminate. Comparisons with the exact Backus theory show that the second-order approximation predicts the effective anisotropy for non-Gaussian media fairly well for relative rms fluctuations in the moduli smaller than about 30 per cent. A locally anisotropic model is formulated in which the local elastic properties have hexagonal symmetry, guided by a Gaussian random vector field that is transversely isotropic and specified by a horizontal-to-vertical orientation ratio ξ. The self-consistent theory provides closed-form expressions for the dependence of the effective moduli on 0 < ξ < ∞ and 0 < η < ∞. The effective-medium parametrizations described here appear to be suitable for incorporation into tomographic modelling.

  10. Wave propagation in a strongly heterogeneous elastic porous medium: Homogenization of Biot medium with double porosities

    NASA Astrophysics Data System (ADS)

    Rohan, Eduard; Naili, Salah; Nguyen, Vu-Hieu

    2016-08-01

    We study wave propagation in an elastic porous medium saturated with a compressible Newtonian fluid. The porous network is interconnected whereby the pores are characterized by two very different characteristic sizes. At the mesoscopic scale, the medium is described using the Biot model, characterized by a high contrast in the hydraulic permeability and anisotropic elasticity, whereas the contrast in the Biot coupling coefficient is only moderate. Fluid motion is governed by the Darcy flow model extended by inertia terms and by the mass conservation equation. The homogenization method based on the asymptotic analysis is used to obtain a macroscopic model. To respect the high contrast in the material properties, they are scaled by the small parameter, which is involved in the asymptotic analysis and characterized by the size of the heterogeneities. Using the estimates of wavelengths in the double-porosity networks, it is shown that the macroscopic descriptions depend on the contrast in the static permeability associated with pores and micropores and on the frequency. Moreover, the microflow in the double porosity is responsible for fading memory effects via the macroscopic poroviscoelastic constitutive law. xml:lang="fr"

  11. Effective medium approximation for effective propagation constant calculation in a dense random medium. [electromagnetic wave scattering

    NASA Technical Reports Server (NTRS)

    Zhu, P. Y.; Fung, A. K.

    1986-01-01

    The effective medium approximation (EMA) formalism developed for scalar wave calculations in solid state physics is generalized to electromagnetic wave scattering in a dense random medium. Results are applied to compute the effective propagation constant in a dense medium involving discrete spherical scatterers. When compared with a common quasicrystalline approximation (QCA), it is found that EMA accounts for backward scattering and the effect of correlation among three scatterers which are not available in QCA. It is also found that there is not much difference in the calculated normalized phase velocity between the use of these two approximations. However, there is a significant difference in the computed effective loss tangent in a nonabsorptive random medium. The computed effective loss tangent using EMA and measurements from a snow medium are compared, showing good agreement.

  12. Diffusion in a heterogeneous medium for low concentrations

    SciTech Connect

    Shkilev, V. P.

    2007-11-15

    The equations describing diffusion on a heterogeneous lattice for low concentrations are considered taking into account lattice site blocking. It is shown that lattice site blocking cannot be disregarded in the case of a strongly heterogeneous lattice even for low concentrations. It is established that the equation with a fractional time derivative holds only in a bounded time interval. Anomalous diffusion, which is described by the equation with a fractional time derivative at the initial stage, must be described over long time periods by an ordinary diffusion equation with a concentration-dependent diffusion coefficient.

  13. Applicability of the effective-medium approximation to heterogeneous aerosol particles

    NASA Astrophysics Data System (ADS)

    Mishchenko, Michael I.; Dlugach, Janna M.; Liu, Li

    2016-07-01

    The effective-medium approximation (EMA) is based on the assumption that a heterogeneous particle can have a homogeneous counterpart possessing similar scattering and absorption properties. We analyze the numerical accuracy of the EMA by comparing superposition T-matrix computations for spherical aerosol particles filled with numerous randomly distributed small inclusions and Lorenz-Mie computations based on the Maxwell-Garnett mixing rule. We verify numerically that the EMA can indeed be realized for inclusion size parameters smaller than a threshold value. The threshold size parameter depends on the refractive-index contrast between the host and inclusion materials and quite often does not exceed several tenths, especially in calculations of the scattering matrix and the absorption cross section. As the inclusion size parameter approaches the threshold value, the scattering-matrix errors of the EMA start to grow with increasing the host size parameter and/or the number of inclusions. We confirm, in particular, the existence of the effective-medium regime in the important case of dust aerosols with hematite or air-bubble inclusions, but then the large refractive-index contrast necessitates inclusion size parameters of the order of a few tenths. Irrespective of the highly restricted conditions of applicability of the EMA, our results provide further evidence that the effective-medium regime must be a direct corollary of the macroscopic Maxwell equations under specific assumptions.

  14. Calculations of a wideband metamaterial absorber using equivalent medium theory

    NASA Astrophysics Data System (ADS)

    Huang, Xiaojun; Yang, Helin; Wang, Danqi; Yu, Shengqing; Lou, Yanchao; Guo, Ling

    2016-08-01

    Metamaterial absorbers (MMAs) have drawn increasing attention in many areas due to the fact that they can achieve electromagnetic (EM) waves with unity absorptivity. We demonstrate the design, simulation, experiment and calculation of a wideband MMA based on a loaded double-square-loop (DSL) array of chip resisters. For a normal incidence EM wave, the simulated results show that the absorption of the full width at half maximum is about 9.1 GHz, and the relative bandwidth is 87.1%. Experimental results are in agreement with the simulations. More importantly, equivalent medium theory (EMT) is utilized to calculate the absorptions of the DSL MMA, and the calculated absorptions based on EMT agree with the simulated and measured results. The method based on EMT provides a new way to analysis the mechanism of MMAs.

  15. Velocities of guided ultrasonic waves in heterogeneous medium

    NASA Technical Reports Server (NTRS)

    Touratier, M.

    1984-01-01

    Experimental and theoretical examinations were performed of the longitudinal velocity characteristics of waves in trilaminar and encapsulated waveguides. The study was confined to waveguides with core material that featured transverse wave velocities much worse than the longitudinal wave velocities. The velocities were obtained using a dispersion equation, with consideration given to both the core and encapsulant. Asymptotic velocities were also calculated for bending and twisting in trilaminar waveguides. Trials were run with bimetallic waveguides for comparison with the theoretical predictions. Good agreement was found between the predicted velocity of the propagation of the fundamental mode and the measured velocities. The method was calculated valid for modes above four, confirming that the data were contained in either the core or outer layer, and were unsensitive to the encapsulant.

  16. Dense, Viscous Brine Behavior in Heterogeneous Porous Medium Systems

    PubMed Central

    Wright, D. Johnson; Pedit, J.A.; Gasda, S.E.; Farthing, M.W.; Murphy, L.L.; Knight, S.R.; Brubaker, G.R.

    2010-01-01

    The behavior of dense, viscous calcium bromide brine solutions used to remediate systems contaminated with dense nonaqueous phase liquids (DNAPLs) is considered in laboratory and field porous medium systems. The density and viscosity of brine solutions are experimentally investigated and functional forms fit over a wide range of mass fractions. A density of 1.7 times, and a corresponding viscosity of 6.3 times, that of water is obtained at a calcium bromide mass fraction of 0.53. A three-dimensional laboratory cell is used to investigate the establishment, persistence, and rate of removal of a stratified dense brine layer in a controlled system. Results from a field-scale experiment performed at the Dover National Test Site are used to investigate the ability to establish and maintain a dense brine layer as a component of a DNAPL recovery strategy, and to recover the brine at sufficiently high mass fractions to support the economical reuse of the brine. The results of both laboratory and field experiments show that a dense brine layer can be established, maintained, and recovered to a significant extent. Regions of unstable density profiles are shown to develop and persist in the field-scale experiment, which we attribute to regions of low hydraulic conductivity. The saturated-unsaturated, variable-density ground-water flow simulation code SUTRA is modified to describe the system of interest, and used to compare simulations to experimental observations and to investigate certain unobserved aspects of these complex systems. The model results show that the standard model formulation is not appropriate for capturing the behavior of sharp density gradients observed during the dense brine experiments. PMID:20444520

  17. Effective parameters for two-phase flow in a porous medium with periodic heterogeneities

    SciTech Connect

    Ataie-Ashtiani, B; Hassanizadeh, S M.; Oostrom, Martinus ); Celia, M A.; White, Mark D. )

    2000-12-01

    The study of non-aqueous phase liquid (NAPL) transport in groundwater requires a correct description of multiphase flow in porous media. For the simulation of multiphase flow a number of material-dependent parameters have to be known. These include relationships between capillary pressure, relative permeability, and saturation. One of the major difficulties in characterizing a porous medium is the presence of small-scale heterogeneities, which have distinctly different multiphase flow properties than the main medium. Such heterogeneities can considerably affect the spreading behavior of non-aqueous liquids. They are often sources of localized pools of pollutants. For most practical purposes, the details of fluid distribution in such a medium are not of interest. It is also computationally not feasible to discretise a compositional multiphase model at such small scales. Even if a detailed numerical model is constructed, it is virtually impossible to obtain data for these heterogeneities. Thus, instead of modeling the subsurface at the scale of micro-heterogeneities, it is desirable to model it at a higher scale, as a homogenized medium, with effective properties.

  18. Tissue Heterogeneity in IMRT Dose Calculation for Lung Cancer

    SciTech Connect

    Pasciuti, Katia; Iaccarino, Giuseppe; Strigari, Lidia; Malatesta, Tiziana; Benassi, Marcello; Di Nallo, Anna Maria; Mirri, Alessandra; Pinzi, Valentina; Landoni, Valeria

    2011-07-01

    The aim of this study was to evaluate the differences in accuracy of dose calculation between 3 commonly used algorithms, the Pencil Beam algorithm (PB), the Anisotropic Analytical Algorithm (AAA), and the Collapsed Cone Convolution Superposition (CCCS) for intensity-modulated radiation therapy (IMRT). The 2D dose distributions obtained with the 3 algorithms were compared on each CT slice pixel by pixel, using the MATLAB code (The MathWorks, Natick, MA) and the agreement was assessed with the {gamma} function. The effect of the differences on dose-volume histograms (DVHs), tumor control, and normal tissue complication probability (TCP and NTCP) were also evaluated, and its significance was quantified by using a nonparametric test. In general PB generates regions of over-dosage both in the lung and in the tumor area. These differences are not always in DVH of the lung, although the Wilcoxon test indicated significant differences in 2 of 4 patients. Disagreement in the lung region was also found when the {Gamma} analysis was performed. The effect on TCP is less important than for NTCP because of the slope of the curve at the level of the dose of interest. The effect of dose calculation inaccuracy is patient-dependent and strongly related to beam geometry and to the localization of the tumor. When multiple intensity-modulated beams are used, the effect of the presence of the heterogeneity on dose distribution may not always be easily predictable.

  19. Tissue heterogeneity in IMRT dose calculation for lung cancer.

    PubMed

    Pasciuti, Katia; Iaccarino, Giuseppe; Strigari, Lidia; Malatesta, Tiziana; Benassi, Marcello; Di Nallo, Anna Maria; Mirri, Alessandra; Pinzi, Valentina; Landoni, Valeria

    2011-01-01

    The aim of this study was to evaluate the differences in accuracy of dose calculation between 3 commonly used algorithms, the Pencil Beam algorithm (PB), the Anisotropic Analytical Algorithm (AAA), and the Collapsed Cone Convolution Superposition (CCCS) for intensity-modulated radiation therapy (IMRT). The 2D dose distributions obtained with the 3 algorithms were compared on each CT slice pixel by pixel, using the MATLAB code (The MathWorks, Natick, MA) and the agreement was assessed with the γ function. The effect of the differences on dose-volume histograms (DVHs), tumor control, and normal tissue complication probability (TCP and NTCP) were also evaluated, and its significance was quantified by using a nonparametric test. In general PB generates regions of over-dosage both in the lung and in the tumor area. These differences are not always in DVH of the lung, although the Wilcoxon test indicated significant differences in 2 of 4 patients. Disagreement in the lung region was also found when the Γ analysis was performed. The effect on TCP is less important than for NTCP because of the slope of the curve at the level of the dose of interest. The effect of dose calculation inaccuracy is patient-dependent and strongly related to beam geometry and to the localization of the tumor. When multiple intensity-modulated beams are used, the effect of the presence of the heterogeneity on dose distribution may not always be easily predictable. PMID:20970989

  20. Temporal behavior of a solute cloud in a fractal heterogeneous porous medium at different scales

    NASA Astrophysics Data System (ADS)

    Ross, Katharina; Attinger, Sabine

    2010-05-01

    Water pollution is still a very real problem and the need for efficient models for flow and solute transport in heterogeneous porous or fractured media is evident. In our study we focus on solute transport in heterogeneous fractured media. In heterogeneous fractured media the shape of the pores and fractures in the subsurface might be modeled as a fractal network or a heterogeneous structure with infinite correlation length. To derive explicit results for larger scale or effective transport parameters in such structures is the aim of this work. To describe flow and transport we investigate the temporal behavior of transport coefficients of solute movement through a spatially heterogeneous medium. It is necessary to distinguish between two fundamentally different quantities characterizing the solute dispersion: The effective dispersion coefficient Deff(t) represents the physical (observable) dispersion in one given realization of the medium. It is conceptually different from the mathematically simpler ensemble dispersion coefficient Dens(t) which characterizes the (abstract) dispersion with respect to the set of all possible realizations of the medium. In the framework of a stochastic approach DENTZ ET AL. (2000 I[2] & II[3]) derive explicit expressions for the temporal behavior of the center-of-mass velocity and the dispersion of the concentration distribution, using a second order perturbation expansion. In their model the authors assume a finite correlation length of the heterogeneities and use a GAUSSIAN correlation function. In a first step, we model the fractured medium as a heterogeneous porous medium with infinite correlation length and neglect single fractures. ZHAN & WHEATCRAFT (1996[4]) analyze the macrodispersivity tensor in fractal porous media using a non-integer exponent which consists of the HURST coefficient and the fractal dimension D. To avoid this non-integer exponent for numerical reasons we extend the study of DENTZ ET AL. (2000 I[2] & II[3

  1. TH-A-19A-01: An Open Source Software for Proton Treatment Planning in Heterogeneous Medium

    SciTech Connect

    Desplanques, M; Baroni, G; Wang, K; Phillips, J; Gueorguiev, G; Sharp, G

    2014-06-15

    Purpose: Due to its success in Radiation Oncology during the last decade, interest in proton therapy is on the rise. Unfortunately, despite the global enthusiasm in the field, there is presently no free, multiplatform and customizable Treatment Planning System (TPS) providing proton dose distributions in heterogenous medium. This restricts substantially the progress of clinical research for groups without access to a commercial Proton TPS. The latest implementation of our pencil beam dose calculation algorithm for proton beams within the 3D Slicer open-source environment fulfills all the conditions described above. Methods: The core dose calculation algorithm is based on the Hong algorithm (1), which was upgraded with the Kanematsu theory describing the evolution of the lateral scattering of proton beamlets in heterogeneous medium. This algorithm deals with both mono-energetic beams and Spread Out Bragg Peak (SOBP). In order to be user-friendly, we provide a graphical user interface implemented with the Qt libraries, and visualization with the 3D Slicer medical image analysis software. Two different pencil beam algorithms were developed, and the clinical proton beam line at our facility was modeled. Results: The dose distributions provided by our algorithms were compared to dose distributions coming from both commercialized XiO TPS and literature (dose measurements, GEANT4 and MCNPx) and turned out to be in a good agreement, with maximum dose discrepancies of 5% in homogeneous phantoms and 10% in heterogeneous phantoms. The algorithm of SOBP creation from an optimized weigthing of mono-energetic beams results in flat SOBP. Conclusion: We hope that our efforts in implementing this new, open-source proton TPS will help the research groups to have a free access to a useful, reliable proton dose calculation software.(1) L. Hong et al., A pencil beam algorithm for proton dose calculations, Phys. Med. Biol. 41 (1996) 1305–1330. This project is paid for by NCI

  2. Adaptive multi-grid method for a periodic heterogeneous medium in 1-D

    SciTech Connect

    Fish, J.; Belsky, V.

    1995-12-31

    A multi-grid method for a periodic heterogeneous medium in 1-D is presented. Based on the homogenization theory special intergrid connection operators have been developed to imitate a low frequency response of the differential equations with oscillatory coefficients. The proposed multi-grid method has been proved to have a fast rate of convergence governed by the ratio q/(4-q), where oheterogeneity. An adaptive multiscale computational scheme is developed. By this technique a computational model entirely constructed on the scale of material heterogeneity is only used where it is necessary to do so, or as indicated by so called Microscale Reduction Error (MRE) indicators, while in the remaining portion of the problem domain, the medium is treated as homogeneous with effective properties. Such a posteriori MRE indicators and estimators are developed on the basis of assessing the validity of two-scale asymptotic expansion.

  3. Dosimetric impact of Acuros XB deterministic radiation transport algorithm for heterogeneous dose calculation in lung cancer

    SciTech Connect

    Han Tao; Followill, David; Repchak, Roman; Molineu, Andrea; Howell, Rebecca; Salehpour, Mohammad; Mikell, Justin; Mourtada, Firas

    2013-05-15

    Purpose: The novel deterministic radiation transport algorithm, Acuros XB (AXB), has shown great potential for accurate heterogeneous dose calculation. However, the clinical impact between AXB and other currently used algorithms still needs to be elucidated for translation between these algorithms. The purpose of this study was to investigate the impact of AXB for heterogeneous dose calculation in lung cancer for intensity-modulated radiation therapy (IMRT) and volumetric-modulated arc therapy (VMAT). Methods: The thorax phantom from the Radiological Physics Center (RPC) was used for this study. IMRT and VMAT plans were created for the phantom in the Eclipse 11.0 treatment planning system. Each plan was delivered to the phantom three times using a Varian Clinac iX linear accelerator to ensure reproducibility. Thermoluminescent dosimeters (TLDs) and Gafchromic EBT2 film were placed inside the phantom to measure delivered doses. The measurements were compared with dose calculations from AXB 11.0.21 and the anisotropic analytical algorithm (AAA) 11.0.21. Two dose reporting modes of AXB, dose-to-medium in medium (D{sub m,m}) and dose-to-water in medium (D{sub w,m}), were studied. Point doses, dose profiles, and gamma analysis were used to quantify the agreement between measurements and calculations from both AXB and AAA. The computation times for AAA and AXB were also evaluated. Results: For the RPC lung phantom, AAA and AXB dose predictions were found in good agreement to TLD and film measurements for both IMRT and VMAT plans. TLD dose predictions were within 0.4%-4.4% to AXB doses (both D{sub m,m} and D{sub w,m}); and within 2.5%-6.4% to AAA doses, respectively. For the film comparisons, the gamma indexes ({+-}3%/3 mm criteria) were 94%, 97%, and 98% for AAA, AXB{sub Dm,m}, and AXB{sub Dw,m}, respectively. The differences between AXB and AAA in dose-volume histogram mean doses were within 2% in the planning target volume, lung, heart, and within 5% in the spinal cord

  4. Effects of Porous Medium Heterogeneity on Vadose Zone Desiccation: Intermediate-scale Laboratory Experiments and Simulations

    SciTech Connect

    Oostrom, Martinus; Freedman, Vicky L.; Wietsma, Thomas W.; Dane, Jacob H.; Truex, Michael J.

    2012-11-01

    Soil desiccation (drying), involving water evaporation induced by dry gas injection, is a potentially robust vadose zone remediation process to limit contaminant transport through the vadose zone. A series of four intermediate-scale flow cell experiments was conducted in homogeneous and simple layered heterogeneous porous medium systems to investigate the effects of heterogeneity on desiccation of unsaturated porous media. The permeability ratios of porous medium layers ranged from about five to almost two orders of magnitude. The insulated flow cell was equipped with twenty humidity and temperature sensors and a dual-energy gamma system was used to determine water saturations at various times. The multiphase code STOMP was used to simulate the desiccation process. Results show that injected dry gas flowed predominantly in the higher permeability layer and delayed water removal from the lower permeability material. For the configurations tested, water vapor diffusion from the lower to the higher permeability zone was considerable over the duration of the experiments, resulting in much larger relative humidity values of the outgoing air than based on permeability ratios alone. Acceptable numerical matches with the experimental data were obtained when an extension of the saturation-capillary pressure relation below the residual water saturation was used. The agreements between numerical and experimental results suggest that the correct physics are implemented in the simulator and that the thermal and hydraulic properties of the porous media, flow cell wall and insulation materials were properly represented.

  5. Whole-Core Heterogeneous Transport Calculations and Their Comparison with Diffusion Results

    SciTech Connect

    Nam Zin Cho; Gil Soo Lee; Ser Gi Hong; Chang Keun Jo; Kyung Taek Lee

    2000-11-12

    Recently the method of characteristics (MOC) has been considered as an effective methodology in lattice calculations. This method gives accurate solutions in complex geometries and strong absorber problems. With increasingly more heterogeneous reactor cores such as a mixed-oxide (MOX) fuel-loaded core or a burnable absorber-loaded core, the limitations due to homogenization and diffusion theory are evident, and the need for whole-core heterogeneous transport calculations is becoming greater. The CRX code based on the MOC is extended to treat whole-core heterogeneous calculation. Since the heterogeneous transport calculation for such a large-scale problem requires large computer memory, a modular ray tracing in which all lattice cells have the same ray distribution for each direction was used to reduce the computer memory requirement. In this scheme, the ray tracing is performed only on different types of cells. Therefore, this ray tracing scheme can significantly reduce the time in tracing along neutron paths and the computer memory for storing track lengths. Also, a parallelization scheme in angular domain rather than in spatial domain and the coarse mesh/coarse group rebalance (CMR/CGR) method in inner and outer iterations were implemented for further reduction of the computer time. To show the effectiveness of the extended CRX code, it is applied to heterogeneous calculation of a benchmark problem core (i.e., 10 x 10 whole core). The results of the transport calculations by CRX are compared with those of TWODANT and with those of the diffusion nodal codes AFEN and NEM (nodal expansion method). Unless the usual homogenization based on single-assembly calculation is drastically improved, the nodal methods would have to be superseded by whole-core heterogeneous calculation methods. It would be feasible to perform whole-core heterogeneous transport calculations routinely if the MOC implemented in the CRX code is enhanced further by more effective acceleration

  6. Influence investigation of a void region on modeling light propagation in a heterogeneous medium.

    PubMed

    Yang, Defu; Chen, Xueli; Ren, Shenghan; Qu, Xiaochao; Tian, Jie; Liang, Jimin

    2013-01-20

    A void region exists in some biological tissues, and previous studies have shown that inaccurate images would be obtained if it were not processed. A hybrid radiosity-diffusion method (HRDM) that couples the radiosity theory and the diffusion equation has been proposed to deal with the void problem and has been well demonstrated in two-dimensional and three-dimensional (3D) simple models. However, the extent of the impact of the void region on the accuracy of modeling light propagation has not been investigated. In this paper, we first implemented and verified the HRDM in 3D models, including both the regular geometries and a digital mouse model, and then investigated the influences of the void region on modeling light propagation in a heterogeneous medium. Our investigation results show that the influence of the region can be neglected when the size of the void is less than a certain range, and other cases must be taken into account. PMID:23338186

  7. Adaptations in Electronic Structure Calculations in Heterogeneous Environments

    SciTech Connect

    Talamudupula, Sai

    2011-01-01

    Modern quantum chemistry deals with electronic structure calculations of unprecedented complexity and accuracy. They demand full power of high-performance computing and must be in tune with the given architecture for superior e ciency. To make such applications resourceaware, it is desirable to enable their static and dynamic adaptations using some external software (middleware), which may monitor both system availability and application needs, rather than mix science with system-related calls inside the application. The present work investigates scienti c application interlinking with middleware based on the example of the computational chemistry package GAMESS and middleware NICAN. The existing synchronous model is limited by the possible delays due to the middleware processing time under the sustainable runtime system conditions. Proposed asynchronous and hybrid models aim at overcoming this limitation. When linked with NICAN, the fragment molecular orbital (FMO) method is capable of adapting statically and dynamically its fragment scheduling policy based on the computing platform conditions. Signi cant execution time and throughput gains have been obtained due to such static adaptations when the compute nodes have very di erent core counts. Dynamic adaptations are based on the main memory availability at run time. NICAN prompts FMO to postpone scheduling certain fragments, if there is not enough memory for their immediate execution. Hence, FMO may be able to complete the calculations whereas without such adaptations it aborts.

  8. Oxygen Transfer in a Fluctuating Capillary Fringe: Impact of Porous Medium Heterogeneity

    NASA Astrophysics Data System (ADS)

    Haberer, C.; Rolle, M.; Cirpka, O. A.; Grathwohl, P.

    2013-12-01

    Mass transfer of oxygen from the atmosphere, across the capillary fringe, to anoxic groundwater is of primary importance for many biogeochemical processes affecting groundwater quality. The controlling mechanisms for oxygen transfer across the capillary fringe are the diffusive/dispersive transport as well as mass exchange between entrapped air and groundwater. In addition, the presence of physical heterogeneity in the porous medium may strongly affect the oxygen fluxes. We performed quasi two-dimensional flow-through experiments at the laboratory bench-scale to study the effect of a coarse-material inclusion, located in proximity of the water table, on flow and oxygen transfer in the capillary fringe. Flow and transport were monitored under both steady-state and transient flow conditions, the latter obtained by fluctuating the water table. We visually inspected the complex flow field using a dye tracer solution, measured vertical oxygen profiles across the capillary fringe at high spatial resolution, and determined oxygen fluxes in the effluent of the flow-through chamber. Our results show that the coarse-material inclusion significantly affected oxygen transfer during the different phases of the experiments. At steady state, the oxygen flux across the unsaturated/saturated interface was considerably enhanced due to flow focusing in the fully water-saturated coarse lens. During drainage, the capillary barrier effect prevented water to drain from the fine material overlying the coarse lens. The entrapped oxygen-rich aqueous phase contributed to the total amount of oxygen supplied to the system when the water table was raised back to its initial level. In case of imbibition, also pronounced entrapment of air occurred in the coarse lens, causing oxygen to partition between the aqueous and gaseous phases. Thus, we found that oxygen transfer across the capillary fringe was significantly enhanced by the coarse-material inclusion due to flow focusing, the capillary

  9. An improved resonance self-shielding method for heterogeneous fast reactor assembly and core calculations

    SciTech Connect

    Lee, C.; Yang, W. S.

    2013-07-01

    An improved resonance self-shielding method has been developed to accurately estimate the effective multigroup cross sections for heterogeneous fast reactor assembly and core calculations. In the method, the heterogeneity effect is considered by the use of isotopic escape cross sections while the resonance interference effect is accounted for through the narrow resonance approximation or slowing-down calculations for specific compositions. The isotopic escape cross sections are calculated by solving fixed-source transport equations with the method of characteristics for the whole problem domain. This method requires no pre-calculated resonance integral tables or parameters that are typically necessary in the subgroup method. Preliminary results for multi pin-cell fast reactor problems show that the escape cross sections estimated from the explicit-geometry fixed source calculations produce more accurate eigenvalue and self-shielded effective cross sections than those from conventional one-dimensional geometry models. (authors)

  10. Experimental Investigation of Dissolution-Driven Convection in Heterogeneous Porous Medium

    NASA Astrophysics Data System (ADS)

    Ni, Rui; Salibindla, Ashwanth K. R.; Masuk, Ashik Ullah Mohammad; Shen, Jikang

    2015-11-01

    Subsurface carbon sequestration in saline aquifers has emerged as one promising method to mitigate anthropogenic emission of CO2 because of the potential storage capacity of the accessible formations. Being injected into the porous formation underground, the buoyant CO2 will start to migrate upward and may eventually leak back to the surface through faults in the overlying caprock. This leaking process may be hindered or even completely stopped due to the dissolution of CO2 into the brine. For those locations, where the supercritical CO2 is above the brine, the dissolution between the two fluids leads to a mixture with higher density than both CO2 and brine; and thus the resultant solution on the interface is unstable, drawing the CO2 -rich mixture downward and rendering the sequestration significantly more stable. Previous laboratory experiments on dissolution-driven convection were mostly limited to a simplified case where the porous medium was assumed to be homogenous. To account for the heterogeneity existing in the actual formations, we designed a series of experiments in controlled ways to introduce spatial variations of permeability. By measuring the mass transfer efficiency under different conditions, our experiments provide a new way to assess the

  11. Fast Perturbation Monte Carlo simulation for heterogeneous medium and its utilization in functional near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Song, Y. M.; Li, J. W.; Cai, F. H.

    2016-01-01

    In near-infrared spectroscopy, fiber optic probe is usually applied to incident light into the bio-sample and detect the spatial and temporal resolved optical signal re-emitted from the turbid medium. In this point-source-point-detector measurement system, seed Perturbation Monte Carlo (Pmc) method is an effective model to perform the forward simulation. In our study, the integration of parallel computing with graphics processing units(GPU) into the existing seed Pmc method substantially accelerate the speed of the original simulation. The GPU based seed Pmc provide an excellent solution for the application of fiber optic probe in both homogeneous a heterogeneous turbid medium.

  12. Trajectory-based modeling of fluid transport in a medium with smoothly varying heterogeneity

    NASA Astrophysics Data System (ADS)

    Vasco, D. W.; Pride, Steven R.; Commer, Michael

    2016-04-01

    Using an asymptotic methodology, valid in the presence of smoothly varying heterogeneity and prescribed boundaries, we derive a trajectory-based solution for tracer transport. The analysis produces a Hamilton-Jacobi partial differential equation for the phase of the propagating tracer front. The trajectories follow from the characteristic equations that are equivalent to the Hamilton-Jacobi equation. The paths are determined by the fluid velocity field, the total porosity, and the dispersion tensor. Due to their dependence upon the local hydrodynamic dispersion, they differ from conventional streamlines. This difference is borne out in numerical calculations for both uniform and dipole flow fields. In an application to the computational X-ray imaging of a saline tracer test, we illustrate that the trajectories may serve as the basis for a form of tracer tomography. In particular, we use the onset time of a change in attenuation for each volume element of the X-ray image as a measure of the arrival time of the saline tracer. The arrival times are used to image the spatial variation of the effective hydraulic conductivity within the laboratory sample.

  13. In-to-Out Body Antenna-Independent Path Loss Model for Multilayered Tissues and Heterogeneous Medium

    PubMed Central

    Kurup, Divya; Vermeeren, Günter; Tanghe, Emmeric; Joseph, Wout; Martens, Luc

    2015-01-01

    In this paper, we investigate multilayered lossy and heterogeneous media for wireless body area networks (WBAN) to develop a simple, fast and efficient analytical in-to-out body path loss (PL) model at 2.45 GHz and, thus, avoid time-consuming simulations. The PL model is an antenna-independent model and is validated with simulations in layered medium, as well as in a 3D human model using electromagnetic solvers. PMID:25551483

  14. In-to-out body antenna-independent path loss model for multilayered tissues and heterogeneous medium.

    PubMed

    Kurup, Divya; Vermeeren, Günter; Tanghe, Emmeric; Joseph, Wout; Martens, Luc

    2015-01-01

    In this paper, we investigate multilayered lossy and heterogeneous media for wireless body area networks (WBAN) to develop a simple, fast and efficient analytical in-to-out body path loss (PL) model at 2.45 GHz and, thus, avoid time-consuming simulations. The PL model is an antenna-independent model and is validated with simulations in layered medium, as well as in a 3D human model using electromagnetic solvers. PMID:25551483

  15. Quasi-heterogeneous efficient 3-D discrete ordinates CANDU calculations using Attila

    SciTech Connect

    Preeti, T.; Rulko, R.

    2012-07-01

    In this paper, 3-D quasi-heterogeneous large scale parallel Attila calculations of a generic CANDU test problem consisting of 42 complete fuel channels and a perpendicular to fuel reactivity device are presented. The solution method is that of discrete ordinates SN and the computational model is quasi-heterogeneous, i.e. fuel bundle is partially homogenized into five homogeneous rings consistently with the DRAGON code model used by the industry for the incremental cross-section generation. In calculations, the HELIOS-generated 45 macroscopic cross-sections library was used. This approach to CANDU calculations has the following advantages: 1) it allows detailed bundle (and eventually channel) power calculations for each fuel ring in a bundle, 2) it allows the exact reactivity device representation for its precise reactivity worth calculation, and 3) it eliminates the need for incremental cross-sections. Our results are compared to the reference Monte Carlo MCNP solution. In addition, the Attila SN method performance in CANDU calculations characterized by significant up scattering is discussed. (authors)

  16. A generalized 2D pencil beam scaling algorithm for proton dose calculation in heterogeneous slab geometries

    PubMed Central

    Westerly, David C.; Mo, Xiaohu; Tomé, Wolfgang A.; Mackie, Thomas R.; DeLuca, Paul M.

    2013-01-01

    Purpose: Pencil beam algorithms are commonly used for proton therapy dose calculations. Szymanowski and Oelfke [“Two-dimensional pencil beam scaling: An improved proton dose algorithm for heterogeneous media,” Phys. Med. Biol. 47, 3313–3330 (2002)10.1088/0031-9155/47/18/304] developed a two-dimensional (2D) scaling algorithm which accurately models the radial pencil beam width as a function of depth in heterogeneous slab geometries using a scaled expression for the radial kernel width in water as a function of depth and kinetic energy. However, an assumption made in the derivation of the technique limits its range of validity to cases where the input expression for the radial kernel width in water is derived from a local scattering power model. The goal of this work is to derive a generalized form of 2D pencil beam scaling that is independent of the scattering power model and appropriate for use with any expression for the radial kernel width in water as a function of depth. Methods: Using Fermi-Eyges transport theory, the authors derive an expression for the radial pencil beam width in heterogeneous slab geometries which is independent of the proton scattering power and related quantities. The authors then perform test calculations in homogeneous and heterogeneous slab phantoms using both the original 2D scaling model and the new model with expressions for the radial kernel width in water computed from both local and nonlocal scattering power models, as well as a nonlocal parameterization of Molière scattering theory. In addition to kernel width calculations, dose calculations are also performed for a narrow Gaussian proton beam. Results: Pencil beam width calculations indicate that both 2D scaling formalisms perform well when the radial kernel width in water is derived from a local scattering power model. Computing the radial kernel width from a nonlocal scattering model results in the local 2D scaling formula under-predicting the pencil beam width by as

  17. Accounting for strong localized heterogeneities and local transport effect in core calculations

    SciTech Connect

    Ruggieri, J.M.; Doriath, J.Y.; Finck, P.J.; Boyer, R.

    1996-09-01

    Two methods based on the variational nodal transport method have been developed to account for localized heterogeneities and local transport effects in full core calculations. A local mesh refinement technique relies on using the projected partial ingoing surface currents produced during coarse-mesh iterations as boundary conditions for fine-mesh calculations embedded within the coarse-mesh calculations. The outgoing fine-mesh partial currents are averaged to serve in the coarse-mesh iterations. Then, a mixed transport-diffusion method using two levels of angular approximations for the surface partial currents depending on the node considered has been implemented to account for local transport effects in full core diffusion calculations. These methods have been tested for a model of the Superphenix complementary shutdown rods.

  18. Effects of heterogeneity in aquifer permeability and biomass on biodegradation rate calculations - Results from numerical simulations

    USGS Publications Warehouse

    Scholl, M.A.

    2000-01-01

    Numerical simulations were used to examine the effects of heterogeneity in hydraulic conductivity (K) and intrinsic biodegradation rate on the accuracy of contaminant plume-scale biodegradation rates obtained from field data. The simulations were based on a steady-state BTEX contaminant plume-scale biodegradation under sulfate-reducing conditions, with the electron acceptor in excess. Biomass was either uniform or correlated with K to model spatially variable intrinsic biodegradation rates. A hydraulic conductivity data set from an alluvial aquifer was used to generate three sets of 10 realizations with different degrees of heterogeneity, and contaminant transport with biodegradation was simulated with BIOMOC. Biodegradation rates were calculated from the steady-state contaminant plumes using decreases in concentration with distance downgradient and a single flow velocity estimate, as is commonly done in site characterization to support the interpretation of natural attenuation. The observed rates were found to underestimate the actual rate specified in the heterogeneous model in all cases. The discrepancy between the observed rate and the 'true' rate depended on the ground water flow velocity estimate, and increased with increasing heterogeneity in the aquifer. For a lognormal K distribution with variance of 0.46, the estimate was no more than a factor of 1.4 slower than the true rate. For aquifer with 20% silt/clay lenses, the rate estimate was as much as nine times slower than the true rate. Homogeneous-permeability, uniform-degradation rate simulations were used to generate predictions of remediation time with the rates estimated from heterogeneous models. The homogeneous models were generally overestimated the extent of remediation or underestimated remediation time, due to delayed degradation of contaminants in the low-K areas. Results suggest that aquifer characterization for natural attenuation at contaminated sites should include assessment of the presence

  19. On the effective permeability of a heterogeneous porous medium: the role of the geometric mean

    NASA Astrophysics Data System (ADS)

    Selvadurai, P. A.; Selvadurai, A. P. S.

    2014-07-01

    This paper uses experimental data derived from surface permeability tests conducted on a bench-scale 508 mm cuboidal sample of Indiana Limestone. These results are used in combination with computational modelling to test the hypothesis that the geometric mean is a good proxy to represent permeability when the spatial distribution of the permeability for the heterogeneous rock, with no evidence of hydraulic anisotropy or fractures, is log-normal. The predictive capabilities of the geometric mean as a measure of the effective permeability are further assessed by examining specific examples where three-dimensional flows are initiated in the heterogeneous domain and where the equivalent homogeneous problem gives rise to purely circular flows that have exact solutions. The approach is also applied to examine a hypothetical hydraulic pulse test that is conducted on a cuboidal region with sealed lateral boundaries, consisting of the experimentally measured heterogeneous distribution of permeability and an equivalent homogeneous region where the permeability corresponds to the geometric mean.

  20. Calculating alpha Eigenvalues in a Continuous-Energy Infinite Medium with Monte Carlo

    SciTech Connect

    Betzler, Benjamin R.; Kiedrowski, Brian C.; Brown, Forrest B.; Martin, William R.

    2012-09-04

    The {alpha} eigenvalue has implications for time-dependent problems where the system is sub- or supercritical. We present methods and results from calculating the {alpha}-eigenvalue spectrum for a continuous-energy infinite medium with a simplified Monte Carlo transport code. We formulate the {alpha}-eigenvalue problem, detail the Monte Carlo code physics, and provide verification and results. We have a method for calculating the {alpha}-eigenvalue spectrum in a continuous-energy infinite-medium. The continuous-time Markov process described by the transition rate matrix provides a way of obtaining the {alpha}-eigenvalue spectrum and kinetic modes. These are useful for the approximation of the time dependence of the system.

  1. 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.

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

    SciTech Connect

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

    2015-03-15

    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.

  3. COMPARISON OF FINITE-DIFFERENCE TIME DOMAIN SAR CALCULATIONS WITH MEASUREMENT IN A HETEROGENEOUS MODEL OF MAN

    EPA Science Inventory

    A finite-difference time-domain technique was used to calculate the specific absorption rate (SAR) at various sites in a heterogeneous block model of man. he block model represented a close approximation to a full-scale heterogeneous phantom model. oth models were comprised of a ...

  4. Heterogeneous reactions in sulfuric acid aerosols: A framework for model calculations

    SciTech Connect

    Hanson, D.R.; Ravishankara, A.R.; Solomon, S. |

    1994-02-20

    A framework for applying rates of heterogeneous chemical reactions measured in the laboratory to small sulfuric acid aerosols found in the stratosphere is presented. The procedure for calculating the applicable reactive uptake coefficients using laboratory-measured parameters is developed, the necessary laboratory-measured quantities are discussed, and a set of equations for use in models are presented. This approach is demonstrated to be essential for obtaining uptake coefficients for the HOCl+HCl and ClONO{sub 2}+HCl reactions applicable to the stratosphere. In these cases the laboratory-measured uptake coefficients have to be substantially corrected for the small size of the atmospheric aerosol droplets. The measured uptake coefficients for N{sub 2}O{sub 5}+H{sub 2}O and ClONO{sub 2}+H{sub 2}O as well as those for other heterogeneous reactions are discussed in the context of this model. Finally, the derived uptake coefficients were incorporated in two-dimensional dynamical and photochemical model. Thus for the first time the HCl reactions in sulfuric acid have been included. Substantial direct chlorine activation and consequent ozone destruction is shown to occur due to heterogeneous reactions involving HCl for volcanically perturbed aerosol conditions at high latitudes. Smaller but significant chlorine activation also is predicted for background sulfuric acid aerosol in these regions. The coupling between homogeneous and heterogeneous chemistry is shown to lead to important changes in the concentrations of various reactive species. The basic physical and chemical quantities needed to better constrain the model input parameters are identified. 39 refs., 10 figs., 4 tabs.

  5. Migration and Entrapment of DNAPLs in Heterogeneous Systems: Impact of Waste and Porous Medium Composition

    SciTech Connect

    Linda M. Abriola; Avery H. Demond

    2005-01-10

    Dense nonaqueous phase liquids (DNAPLs) pose a significant threat to soil and groundwater at Department of Energy (DOE) sites. Evidence suggests that subsurface wettability variations are present at many of these sites as a result of spatical and temporal variations in aqueous phase chemistry, contaminant aging, mineralogy and organic matter. The presence of such heterogeneity may significantly influence DNAPL migration and entrapment in the saturated zone.

  6. A 3D pencil-beam-based superposition algorithm for photon dose calculation in heterogeneous media

    NASA Astrophysics Data System (ADS)

    Tillikainen, L.; Helminen, H.; Torsti, T.; Siljamäki, S.; Alakuijala, J.; Pyyry, J.; Ulmer, W.

    2008-07-01

    In this work, a novel three-dimensional superposition algorithm for photon dose calculation is presented. The dose calculation is performed as a superposition of pencil beams, which are modified based on tissue electron densities. The pencil beams have been derived from Monte Carlo simulations, and are separated into lateral and depth-directed components. The lateral component is modeled using exponential functions, which allows accurate modeling of lateral scatter in heterogeneous tissues. The depth-directed component represents the total energy deposited on each plane, which is spread out using the lateral scatter functions. Finally, convolution in the depth direction is applied to account for tissue interface effects. The method can be used with the previously introduced multiple-source model for clinical settings. The method was compared against Monte Carlo simulations in several phantoms including lung- and bone-type heterogeneities. Comparisons were made for several field sizes for 6 and 18 MV energies. The deviations were generally within (2%, 2 mm) of the field central axis dmax. Significantly larger deviations (up to 8%) were found only for the smallest field in the lung slab phantom for 18 MV. The presented method was found to be accurate in a wide range of conditions making it suitable for clinical planning purposes.

  7. Efficient control of spiral wave location in an excitable medium with localized heterogeneities

    NASA Astrophysics Data System (ADS)

    Schlesner, J.; Zykov, V. S.; Brandtstädter, H.; Gerdes, I.; Engel, H.

    2008-01-01

    We show that a spiral wave core can be guided by feedback control through a two-dimensional (2D) medium along a virtual 1D detector of given shape. To this aim, short perturbations of excitability are applied globally to the medium each time the spiral wave front is tangent to the detector, or touches its open ends. This relatively simple and robust feedback algorithm is realized in experiments with the light-sensitive Belousov-Zhabotinsky (BZ) medium and in numerical simulations of the underlying Oregonator model. A theory is developed that reduces the description of the spiral wave drift to an iterated map from which the drift velocity field for the motion of the spiral core can be obtained. This drift velocity field predicts both the transient as well as the stationary trajectories of the drifting spiral waves in good agreement with experimental and numerical data. It is shown that the drift velocity is limited by instabilities which arise under high perturbation strength or large delay time. We propose a method to suppress the observed instabilities in order to increase the velocity of feedback mediated resonant drift. Our results might be useful for the control of spiral wave location in a wide variety of excitable media.

  8. Study of the Surface Heterogeneity of icy dwarf?planets and other medium size Kuiper Belt objects

    NASA Astrophysics Data System (ADS)

    Pinilla-Alonso, Noemi; Emery, Josh P.

    2015-10-01

    We propose a comprehensive analysis of the surface heterogeneity of a selected sample of dwarf-planets and candidates to be considered as dwarf-planets. The sample has been carefully selected to reach the scientific goals with a relative low cost in observing time. The research proposed here will be based on the analysis of the light-curve of these objects obtained using IRAC/Spitzer photometry. KBOs likely retain some of the most primitive material in the Solar System. Models of the retention of volatiles by small-bodies in the Solar System show that dwarf-planets can retain most of the original inventory of volatiles. A good example is Pluto. The surface of this body is formed by patches of CH4, N2 and CO and exhibits a large degree of surface heterogeneity. Our preliminary results of the IRAC/Spitzer light curves of Pluto, obtained by this group in 2004 and 2014, show the potential of these data to map the surface distribution of the different species of ices on the surface of KBOs. For this project we have selected six objects (out of a list of 15) that are ideal for this study using Spitzer photometry. Our sample covers two classes of bodies: Eris, Makemake and Haumea, all large enough to retain volatiles and so how signs of sublimation and condensation cycles on their surfaces; and Quaoar, Varuna and Ixion (D<1000 km) that may not have retained volatiles. If signs of heterogeneity are detected on IRAC data from these medium bodies (as suggested by previous studies) this could be due to a combination of collisions and irradiation. By addressing the compositional heterogeneity of this sample of KBOs the proposed work will address gaps in the scientific knowledge of the chemical and dynamical history of the outer Solar System as well as other planetary systems.}

  9. Calculation of Physicochemical Properties for Short- and Medium-Chain Chlorinated Paraffins

    NASA Astrophysics Data System (ADS)

    Glüge, Juliane; Bogdal, Christian; Scheringer, Martin; Buser, Andreas M.; Hungerbühler, Konrad

    2013-06-01

    Short- and medium-chain chlorinated paraffins are potential PBT chemicals (persistent, bioaccumulative, toxic) and short-chain chlorinated paraffins are under review for inclusion in the UNEP Stockholm Convention on Persistent Organic Pollutants. Despite their high production volume of more than one million metric tonnes per year, only few data on their physicochemical properties are available. We calculated subcooled-liquid vapor pressure, subcooled-liquid solubility in water and octanol, Henry's law constant for water and octanol, as well as the octanol-water partition coefficient with the property calculation methods COSMOtherm, SPARC, and EPI Suite™, and compared the results to experimental data from the literature. For all properties, good or very good agreement between calculated and measured data was obtained for COSMOtherm; results from SPARC were in good agreement with the measured data except for subcooled-liquid water solubility, whereas EPI Suite™ showed the largest discrepancies for all properties. After critical evaluation of the three property calculation methods, a final set of recommended property data for short- and medium-chain chlorinated paraffins was derived. The calculated property data show interesting relationships with chlorine content and carbon chain length. Increasing chlorine content does not cause pronounced changes in water solubility and octanol-water partition coefficient (KOW) as long as it is below 55%. Increasing carbon chain length leads to strong increases in KOW and corresponding decreases in subcooled-liquid water solubility. The present data set can be used in further studies to assess the environmental fate and human exposure of this relevant compound class.

  10. Modeling of nanoparticle transport and deposition in a porous medium: Effects of pore surface heterogeneity

    NASA Astrophysics Data System (ADS)

    Pham, Ngoc; Papavassiliou, Dimitrios

    2014-11-01

    Pore surface charge heterogeneity has been found to affect particle retention in flow through porous media. In this study, retention of nanoparticles under different surface blocking conditions is numerically investigated. Micro-CT scanning is used to reconstruct the 3D geometry of sandstone and image-based analysis is used to characterize the pore space and the mineral composition of the rock. Flow of water through the sample is simulated with the lattice Boltzmann method. The motion of nanoparticles is modeled by injection of particles moving under convection and molecular diffusion and recording their trajectories in time. When interacting with the pore surface, particles can be retained onto the surface with a particular deposition rate. As deposited particles hinder the retention of other particles by blocking occupied sites, the deposition is considered to be a second order process. Particle breakthrough under different modeled and real distributions of surface heterogeneity as a function of various surface blocking conditions is investigated. The effect is stronger when parts of the surface are much more favorable for deposition than others. Acknowledgements: Advanced Energy Consortium (AEC BEG08-022) & XSEDE (CTS090017).

  11. Coherent light scattering of heterogeneous randomly rough films and effective medium in the theory of electromagnetic wave multiple scattering

    SciTech Connect

    Berginc, G

    2013-11-30

    We have developed a general formalism based on Green's functions to calculate the coherent electromagnetic field scattered by a random medium with rough boundaries. The approximate expression derived makes it possible to determine the effective permittivity, which is generalised for a layer of an inhomogeneous random medium with different types of particles and bounded with randomly rough interfaces. This effective permittivity describes the coherent propagation of an electromagnetic wave in a random medium with randomly rough boundaries. We have obtained an expression, which contains the Maxwell – Garnett formula at the low-frequency limit, and the Keller formula; the latter has been proved to be in good agreement with experiments for particles whose dimensions are larger than a wavelength. (coherent light scattering)

  12. Comparison of dose calculation algorithms in slab phantoms with cortical bone equivalent heterogeneities

    SciTech Connect

    Carrasco, P.; Jornet, N.; Duch, M. A.; Panettieri, V.; Weber, L.; Eudaldo, T.; Ginjaume, M.; Ribas, M.

    2007-08-15

    To evaluate the dose values predicted by several calculation algorithms in two treatment planning systems, Monte Carlo (MC) simulations and measurements by means of various detectors were performed in heterogeneous layer phantoms with water- and bone-equivalent materials. Percentage depth doses (PDDs) were measured with thermoluminescent dosimeters (TLDs), metal-oxide semiconductor field-effect transistors (MOSFETs), plane parallel and cylindrical ionization chambers, and beam profiles with films. The MC code used for the simulations was the PENELOPE code. Three different field sizes (10x10, 5x5, and 2x2 cm{sup 2}) were studied in two phantom configurations and a bone equivalent material. These two phantom configurations contained heterogeneities of 5 and 2 cm of bone, respectively. We analyzed the performance of four correction-based algorithms and one based on convolution superposition. The correction-based algorithms were the Batho, the Modified Batho, the Equivalent TAR implemented in the Cadplan (Varian) treatment planning system (TPS), and the Helax-TMS Pencil Beam from the Helax-TMS (Nucletron) TPS. The convolution-superposition algorithm was the Collapsed Cone implemented in the Helax-TMS. All the correction-based calculation algorithms underestimated the dose inside the bone-equivalent material for 18 MV compared to MC simulations. The maximum underestimation, in terms of root-mean-square (RMS), was about 15% for the Helax-TMS Pencil Beam (Helax-TMS PB) for a 2x2 cm{sup 2} field inside the bone-equivalent material. In contrast, the Collapsed Cone algorithm yielded values around 3%. A more complex behavior was found for 6 MV where the Collapsed Cone performed less well, overestimating the dose inside the heterogeneity in 3%-5%. The rebuildup in the interface bone-water and the penumbra shrinking in high-density media were not predicted by any of the calculation algorithms except the Collapsed Cone, and only the MC simulations matched the experimental values

  13. Comparison of dose calculation algorithms in slab phantoms with cortical bone equivalent heterogeneities.

    PubMed

    Carrasco, P; Jornet, N; Duch, M A; Panettieri, V; Weber, L; Eudaldo, T; Ginjaume, M; Ribas, M

    2007-08-01

    To evaluate the dose values predicted by several calculation algorithms in two treatment planning systems, Monte Carlo (MC) simulations and measurements by means of various detectors were performed in heterogeneous layer phantoms with water- and bone-equivalent materials. Percentage depth doses (PDDs) were measured with thermoluminescent dosimeters (TLDs), metal-oxide semiconductor field-effect transistors (MOSFETs), plane parallel and cylindrical ionization chambers, and beam profiles with films. The MC code used for the simulations was the PENELOPE code. Three different field sizes (10 x 10, 5 x 5, and 2 x 2 cm2) were studied in two phantom configurations and a bone equivalent material. These two phantom configurations contained heterogeneities of 5 and 2 cm of bone, respectively. We analyzed the performance of four correction-based algorithms and one based on convolution superposition. The correction-based algorithms were the Batho, the Modified Batho, the Equivalent TAR implemented in the Cadplan (Varian) treatment planning system (TPS), and the Helax-TMS Pencil Beam from the Helax-TMS (Nucletron) TPS. The convolution-superposition algorithm was the Collapsed Cone implemented in the Helax-TMS. All the correction-based calculation algorithms underestimated the dose inside the bone-equivalent material for 18 MV compared to MC simulations. The maximum underestimation, in terms of root-mean-square (RMS), was about 15% for the Helax-TMS Pencil Beam (Helax-TMS PB) for a 2 x 2 cm2 field inside the bone-equivalent material. In contrast, the Collapsed Cone algorithm yielded values around 3%. A more complex behavior was found for 6 MV where the Collapsed Cone performed less well, overestimating the dose inside the heterogeneity in 3%-5%. The rebuildup in the interface bone-water and the penumbra shrinking in high-density media were not predicted by any of the calculation algorithms except the Collapsed Cone, and only the MC simulations matched the experimental values

  14. 3D numerical simulation of the long range propagation of acoustical shock waves through a heterogeneous and moving medium

    SciTech Connect

    Luquet, David; Marchiano, Régis; Coulouvrat, François

    2015-10-28

    Many situations involve the propagation of acoustical shock waves through flows. Natural sources such as lightning, volcano explosions, or meteoroid atmospheric entries, emit loud, low frequency, and impulsive sound that is influenced by atmospheric wind and turbulence. The sonic boom produced by a supersonic aircraft and explosion noises are examples of intense anthropogenic sources in the atmosphere. The Buzz-Saw-Noise produced by turbo-engine fan blades rotating at supersonic speed also propagates in a fast flow within the engine nacelle. Simulating these situations is challenging, given the 3D nature of the problem, the long range propagation distances relative to the central wavelength, the strongly nonlinear behavior of shocks associated to a wide-band spectrum, and finally the key role of the flow motion. With this in view, the so-called FLHOWARD (acronym for FLow and Heterogeneous One-Way Approximation for Resolution of Diffraction) method is presented with three-dimensional applications. A scalar nonlinear wave equation is established in the framework of atmospheric applications, assuming weak heterogeneities and a slow wind. It takes into account diffraction, absorption and relaxation properties of the atmosphere, quadratic nonlinearities including weak shock waves, heterogeneities of the medium in sound speed and density, and presence of a flow (assuming a mean stratified wind and 3D turbulent ? flow fluctuations of smaller amplitude). This equation is solved in the framework of the one-way method. A split-step technique allows the splitting of the non-linear wave equation into simpler equations, each corresponding to a physical effect. Each sub-equation is solved using an analytical method if possible, and finite-differences otherwise. Nonlinear effects are solved in the time domain, and others in the frequency domain. Homogeneous diffraction is handled by means of the angular spectrum method. Ground is assumed perfectly flat and rigid. Due to the 3D

  15. 3D numerical simulation of the long range propagation of acoustical shock waves through a heterogeneous and moving medium

    NASA Astrophysics Data System (ADS)

    Luquet, David; Marchiano, Régis; Coulouvrat, François

    2015-10-01

    Many situations involve the propagation of acoustical shock waves through flows. Natural sources such as lightning, volcano explosions, or meteoroid atmospheric entries, emit loud, low frequency, and impulsive sound that is influenced by atmospheric wind and turbulence. The sonic boom produced by a supersonic aircraft and explosion noises are examples of intense anthropogenic sources in the atmosphere. The Buzz-Saw-Noise produced by turbo-engine fan blades rotating at supersonic speed also propagates in a fast flow within the engine nacelle. Simulating these situations is challenging, given the 3D nature of the problem, the long range propagation distances relative to the central wavelength, the strongly nonlinear behavior of shocks associated to a wide-band spectrum, and finally the key role of the flow motion. With this in view, the so-called FLHOWARD (acronym for FLow and Heterogeneous One-Way Approximation for Resolution of Diffraction) method is presented with three-dimensional applications. A scalar nonlinear wave equation is established in the framework of atmospheric applications, assuming weak heterogeneities and a slow wind. It takes into account diffraction, absorption and relaxation properties of the atmosphere, quadratic nonlinearities including weak shock waves, heterogeneities of the medium in sound speed and density, and presence of a flow (assuming a mean stratified wind and 3D turbulent ? flow fluctuations of smaller amplitude). This equation is solved in the framework of the one-way method. A split-step technique allows the splitting of the non-linear wave equation into simpler equations, each corresponding to a physical effect. Each sub-equation is solved using an analytical method if possible, and finite-differences otherwise. Nonlinear effects are solved in the time domain, and others in the frequency domain. Homogeneous diffraction is handled by means of the angular spectrum method. Ground is assumed perfectly flat and rigid. Due to the 3D

  16. Transuranic Transmutation and Criticality Calculation Sensitivity to Heterogeneous Lattice Effects - 12391

    SciTech Connect

    Barbaras, Sean A.; Knight, Travis W.

    2012-07-01

    composition whereas U-238, Pu-242, and Pu-238 composition was not changed by taking into account the non-homogenous lattice effects. Heterogeneous lattice effects do change the calculated eigenvalue and transmutation rate in a non-uniform lattice of MOX fuel rods and UO{sub 2} fuel. However, the uncertainty in the ENDF data used by SCALE in these calculations is large enough that the infinite lattice assumption remains valid. (authors)

  17. Necessity of using heterogeneous ellipsoidal Earth model with terrain to calculate co-seismic effect

    NASA Astrophysics Data System (ADS)

    Cheng, Huihong; Zhang, Bei; Zhang, Huai; Huang, Luyuan; Qu, Wulin; Shi, Yaolin

    2016-04-01

    Co-seismic deformation and stress changes, which reflect the elasticity of the earth, are very important in the earthquake dynamics, and also to other issues, such as the evaluation of the seismic risk, fracture process and triggering of earthquake. Lots of scholars have researched the dislocation theory and co-seismic deformation and obtained the half-space homogeneous model, half-space stratified model, spherical stratified model, and so on. Especially, models of Okada (1992) and Wang (2003, 2006) are widely applied in the research of calculating co-seismic and post-seismic effects. However, since both semi-infinite space model and layered model do not take the role of the earth curvature or heterogeneity or topography into consideration, there are large errors in calculating the co-seismic displacement of a great earthquake in its impacted area. Meanwhile, the computational methods of calculating the co-seismic strain and stress are different between spherical model and plane model. Here, we adopted the finite element method which could well deal with the complex characteristics (such as anisotropy, discontinuities) of rock and different conditions. We use the mash adaptive technique to automatically encrypt the mesh at the fault and adopt the equivalent volume force replace the dislocation source, which can avoid the difficulty in handling discontinuity surface with conventional (Zhang et al., 2015). We constructed an earth model that included earth's layered structure and curvature, the upper boundary was set as a free surface and the core-mantle boundary was set under buoyancy forces. Firstly, based on the precision requirement, we take a testing model - - a strike-slip fault (the length of fault is 500km and the width is 50km, and the slippage is 10m) for example. Because of the curvature of the Earth, some errors certainly occur in plane coordinates just as previous studies (Dong et al., 2014; Sun et al., 2012). However, we also found that: 1) the co

  18. Multi-level Monte Carlo finite volume methods for uncertainty quantification of acoustic wave propagation in random heterogeneous layered medium

    NASA Astrophysics Data System (ADS)

    Mishra, S.; Schwab, Ch.; Šukys, J.

    2016-05-01

    We consider the very challenging problem of efficient uncertainty quantification for acoustic wave propagation in a highly heterogeneous, possibly layered, random medium, characterized by possibly anisotropic, piecewise log-exponentially distributed Gaussian random fields. A multi-level Monte Carlo finite volume method is proposed, along with a novel, bias-free upscaling technique that allows to represent the input random fields, generated using spectral FFT methods, efficiently. Combined together with a recently developed dynamic load balancing algorithm that scales to massively parallel computing architectures, the proposed method is able to robustly compute uncertainty for highly realistic random subsurface formations that can contain a very high number (millions) of sources of uncertainty. Numerical experiments, in both two and three space dimensions, illustrating the efficiency of the method are presented.

  19. SU-E-J-60: Efficient Monte Carlo Dose Calculation On CPU-GPU Heterogeneous Systems

    SciTech Connect

    Xiao, K; Chen, D. Z; Hu, X. S; Zhou, B

    2014-06-01

    Purpose: It is well-known that the performance of GPU-based Monte Carlo dose calculation implementations is bounded by memory bandwidth. One major cause of this bottleneck is the random memory writing patterns in dose deposition, which leads to several memory efficiency issues on GPU such as un-coalesced writing and atomic operations. We propose a new method to alleviate such issues on CPU-GPU heterogeneous systems, which achieves overall performance improvement for Monte Carlo dose calculation. Methods: Dose deposition is to accumulate dose into the voxels of a dose volume along the trajectories of radiation rays. Our idea is to partition this procedure into the following three steps, which are fine-tuned for CPU or GPU: (1) each GPU thread writes dose results with location information to a buffer on GPU memory, which achieves fully-coalesced and atomic-free memory transactions; (2) the dose results in the buffer are transferred to CPU memory; (3) the dose volume is constructed from the dose buffer on CPU. We organize the processing of all radiation rays into streams. Since the steps within a stream use different hardware resources (i.e., GPU, DMA, CPU), we can overlap the execution of these steps for different streams by pipelining. Results: We evaluated our method using a Monte Carlo Convolution Superposition (MCCS) program and tested our implementation for various clinical cases on a heterogeneous system containing an Intel i7 quad-core CPU and an NVIDIA TITAN GPU. Comparing with a straightforward MCCS implementation on the same system (using both CPU and GPU for radiation ray tracing), our method gained 2-5X speedup without losing dose calculation accuracy. Conclusion: The results show that our new method improves the effective memory bandwidth and overall performance for MCCS on the CPU-GPU systems. Our proposed method can also be applied to accelerate other Monte Carlo dose calculation approaches. This research was supported in part by NSF under Grants CCF

  20. Non local Lotka-Volterra system with cross-diffusion in an heterogeneous medium.

    PubMed

    Fontbona, Joaquin; Méléard, Sylvie

    2015-03-01

    We introduce a stochastic individual model for the spatial behavior of an animal population of dispersive and competitive species, considering various kinds of biological effects, such as heterogeneity of environmental conditions, mutual attractive or repulsive interactions between individuals or competition between them for resources. As a consequence of the study of the large population limit, global existence of a nonnegative weak solution to a multidimensional parabolic strongly coupled model of competing species is proved. The main new feature of the corresponding integro-differential equation is the nonlocal nonlinearity appearing in the diffusion terms, which may depend on the spatial densities of all population types. Moreover, the diffusion matrix is generally not strictly positive definite and the cross-diffusion effect allows for influences growing linearly with the subpopulations' sizes. We prove uniqueness of the finite measure-valued solution and give conditions under which the solution takes values in a functional space. We then make the competition kernels converge to a Dirac measure and obtain the existence of a solution to a locally competitive version of the previous equation. The techniques are essentially based on the underlying stochastic flow related to the dispersive part of the dynamics, and the use of suitable dual distances in the space of finite measures. PMID:24710661

  1. 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.

  2. A tribological model of a seismomagnetic effect in a heterogeneous medium

    NASA Astrophysics Data System (ADS)

    Spivak, A. A.

    2015-11-01

    A phenomenological model of generation of magnetic signals under the deformation of a shattered rock in the body of a fault zone resulting from seismic pulse action is proposed. It is assumed that the geomagnetic variations appear at a change in the conductivity of the fragmented rocks at the boundaries of the joints. It is shown that the amplitudes of geomagnetic variations calculated based on the model are consistent with the data of the instrumental observations.

  3. Calculated sputtering and atomic displacement cross-sections for applications to medium voltage analytical electron microscopy

    SciTech Connect

    Bradley, C.R.; Zaluzec, N.J.

    1987-08-01

    The development of medium voltage electron microscopes having high brightness electron sources and ultra-high vacuum environments has been anticipated by the microscopy community now for several years. The advantages of such a configuration have been discussed to great lengths, while the potential disadvantages have for the most part been neglected. The most detrimental of these relative to microcharacterization are the effects of electron sputtering and atomic displacement to the local specimen composition. These effects have in the past been considered mainly in the high voltage electron microscope regime and generally were ignored in lower voltage instruments. Recent experimental measurements have shown that the effects of electron sputtering as well as radiation induced segregation can be observed in conventional transmission electron microscopes. It is, therefore, important to determine at what point the effects will begin to manifest themselves in the new generation of medium voltage analytical electron microscopes. In this manuscript we present new calculations which allow the individual experimentalist to determine the potential threshold levels for a particular elemental system and thus avoid the dangers of introducing artifacts during microanalysis. 12 refs., 3 figs.

  4. Quantification of the impact of MLC modeling and tissue heterogeneities on dynamic IMRT dose calculations

    SciTech Connect

    Mihaylov, I. B.; Lerma, F. A.; Fatyga, M.; Siebers, J. V.

    2007-04-15

    This study quantifies the dose prediction errors (DPEs) in dynamic IMRT dose calculations resulting from (a) use of an intensity matrix to estimate the multi-leaf collimator (MLC) modulated photon fluence (DPE{sub IGfluence}) instead of an explicit MLC particle transport, and (b) handling of tissue heterogeneities (DPE{sub hetero}) by superposition/convolution (SC) and pencil beam (PB) dose calculation algorithms. Monte Carlo (MC) computed doses are used as reference standards. Eighteen head-and-neck dynamic MLC IMRT treatment plans are investigated. DPEs are evaluated via comparing the dose received by 98% of the GTV (GTV D{sub 98%}), the CTV D{sub 95%}, the nodal D{sub 90%}, the cord and the brainstem D{sub 02%}, the parotid D{sub 50%}, the parotid mean dose (D{sub Mean}), and generalized equivalent uniform doses (gEUDs) for the above structures. For the MC-generated intensity grids, DPE{sub IGfluence} is within {+-}2.1% for all targets and critical structures. The SC algorithm DPE{sub hetero} is within {+-}3% for 98.3% of the indices tallied, and within {+-}3.4% for all of the tallied indices. The PB algorithm DPE{sub hetero} is within {+-}3% for 92% of the tallied indices. Statistical equivalence tests indicate that PB DPE{sub hetero} requires a {+-}3.6% interval to state equivalence with the MC standard, while the intervals are <1.5% for SC DPE{sub hetero} and DPE{sub IGfluence}. Overall, these results indicate that SC and MC IMRT dose calculations which use MC-derived intensity matrices for fluence prediction do not introduce significant dose errors compared with full Monte Carlo dose computations; however, PB algorithms may result in clinically significant dose deviations.

  5. Developing a phenomenological model of the proton trajectory within a heterogeneous medium required for proton imaging

    NASA Astrophysics Data System (ADS)

    Collins Fekete, Charles-Antoine; Doolan, Paul; Dias, Marta F.; Beaulieu, Luc; Seco, Joao

    2015-07-01

    To develop an accurate phenomenological model of the cubic spline path estimate of the proton path, accounting for the initial proton energy and water equivalent thickness (WET) traversed. Monte Carlo (MC) simulations were used to calculate the path of protons crossing various WET (10-30 cm) of different material (LN300, water and CB2-50% CaCO3) for a range of initial energies (180-330 MeV). For each MC trajectory, cubic spline trajectories (CST) were constructed based on the entrance and exit information of the protons and compared with the MC using the root mean square (RMS) metric. The CST path is dependent on the direction vector magnitudes (|P0,1|). First, |P0,1| is set to the proton path length (with factor Λ0,1\\text{Norm} = 1.0). Then, two optimal factor Λ0,1{} are introduced in |P0,1|. The factors are varied to minimize the RMS difference with MC paths for every configuration. A set of Λ0,1\\text{opt} factors, function of WET/water equivalent path length (WEPL), that minimizes the RMS are presented. MTF analysis is then performed on proton radiographs of a line-pair phantom reconstructed using the CST trajectories. Λ0,1\\text{opt} was fitted to the WET/WEPL ratio using a quadratic function (Y = A + BX2 where A = 1.01,0.99, B = 0.43,-  0.46 respectively for Λ0\\text{opt} , Λ1\\text{opt} ). The RMS deviation calculated along the path, between the CST and the MC, increases with the WET. The increase is larger when using Λ0,1\\text{Norm} than Λ0,1\\text{opt} (difference of 5.0% with WET/WEPL = 0.66). For 230/330 MeV protons, the MTF10% was found to increase by 40/16% respectively for a thin phantom (15 cm) when using the Λ0,1\\text{opt} model compared to the Λ0,1\\text{Norm} model. Calculation times for Λ0,1\\text{opt} are scaled down compared to MLP and RMS deviation are similar within standard deviation. Based on the results of this study, using CST with the Λ0,1\\text{opt} factors reduces the RMS deviation and increases the spatial

  6. Developing a phenomenological model of the proton trajectory within a heterogeneous medium required for proton imaging.

    PubMed

    Fekete, Charles-Antoine Collins; Doolan, Paul; Dias, Marta F; Beaulieu, Luc; Seco, Joao

    2015-07-01

    To develop an accurate phenomenological model of the cubic spline path estimate of the proton path, accounting for the initial proton energy and water equivalent thickness (WET) traversed. Monte Carlo (MC) simulations were used to calculate the path of protons crossing various WET (10-30 cm) of different material (LN300, water and CB2-50% CaCO3) for a range of initial energies (180-330 MeV). For each MC trajectory, cubic spline trajectories (CST) were constructed based on the entrance and exit information of the protons and compared with the MC using the root mean square (RMS) metric. The CST path is dependent on the direction vector magnitudes (|P0,1|). First, |P0,1| is set to the proton path length (with factor Λ(Norm)(0,1) = 1.0). Then, two optimal factor Λ(0,1) are introduced in |P0,1|. The factors are varied to minimize the RMS difference with MC paths for every configuration. A set of Λ(opt)(0,1) factors, function of WET/water equivalent path length (WEPL), that minimizes the RMS are presented. MTF analysis is then performed on proton radiographs of a line-pair phantom reconstructed using the CST trajectories. Λ(opt)(0,1) was fitted to the WET/WEPL ratio using a quadratic function (Y = A + BX(2) where A = 1.01,0.99, B = 0.43,-  0.46 respectively for Λ(opt)(0), Λ(opt)(1)). The RMS deviation calculated along the path, between the CST and the MC, increases with the WET. The increase is larger when using Λ(Norm)(0,1) than Λ(opt)(0,1) (difference of 5.0% with WET/WEPL = 0.66). For 230/330 MeV protons, the MTF10% was found to increase by 40/16% respectively for a thin phantom (15 cm) when using the Λ(opt)(0,1) model compared to the Λ(Norm)(0,1) model. Calculation times for Λ(opt)(0,1) are scaled down compared to MLP and RMS deviation are similar within standard deviation.B ased on the results of this study, using CST with the Λ(opt)(0,1) factors reduces the RMS deviation and increases the spatial resolution when reconstructing proton

  7. SU-F-19A-01: APBI Brachytherapy Treatment Planning: The Impact of Heterogeneous Dose Calculations

    SciTech Connect

    Loupot, S; Han, T; Salehpour, M; Gifford, K

    2014-06-15

    Purpose: To quantify the difference in dose to PTV-EVAL and OARs (skin and rib) as calculated by (TG43) and heterogeneous calculations (CCC). Methods: 25 patient plans (5 Contura and 20 SAVI) were selected for analysis. Clinical dose distributions were computed with a commercially available treatment planning algorithm (TG43-D-(w,w)) and then recomputed with a pre-clinical collapsed cone convolution algorithm (CCCD-( m,m)). PTV-EVAL coverage (V90%, V95%), and rib and skin maximum dose were compared via percent difference. Differences in dose to normal tissue (V150cc, V200cc of PTV-EVAL) were also compared. Changes in coverage and maximum dose to organs at risk are reported in percent change, (100*(TG43 − CCC) / TG43)), and changes in maximum dose to normal tissue are absolute change in cc (TG43 − CCC). Results: Mean differences in V90, V95, V150, and V200 for the SAVI cases were −0.2%, −0.4%, −0.03cc, and −0.14cc, respectively, with maximum differences of −0.78%, −1.7%, 1.28cc, and 1.01cc, respectively. Mean differences in the 0.1cc dose to the rib and skin were −1.4% and −0.22%, respectively, with maximum differences of −4.5% and 16%, respectively. Mean differences in V90, V95, V150, and V200 for the Contura cases were −1.2%, −2.1%, −1.8cc, and −0.59cc, respectively, with maximum differences of −2.0%, −3.16%, −2.9cc, and −0.76cc, respectively. Mean differences in the 0.1cc dose to the rib and skin were −2.6% and −3.9%, respectively, with maximum differences of −3.2% and −5.7%, respectively. Conclusion: The effects of translating clinical knowledge based on D-(w,w) to plans reported in D-(m,m) are minimal (2% or less) on average, but vary based on the type and placement of the device, source, and heterogeneity information.

  8. Helicobacter pylori Couples Motility and Diffusion to Actively Create a Heterogeneous Complex Medium in Gastric Mucus

    NASA Astrophysics Data System (ADS)

    Mirbagheri, Seyed Amir; Fu, Henry Chien

    2016-05-01

    Helicobacter pylori swims through mucus gel by generating ammonia that locally neutralizes the acidic gastric environment, turning nearby gel into a fluid pocket. The size of the fluid zone is important for determining the physics of the motility: in a large zone swimming occurs as in a fluid through hydrodynamic principles, while in a very small zone the motility could be strongly influenced by nonhydrodynamic cell-mucus interactions including chemistry and adhesion. Here, we calculate the size of the fluid pocket. We model how swimming depends on the de-gelation range using a Taylor sheet swimming through a layer of Newtonian fluid bounded by a Brinkman fluid. Then, we model how the de-gelation range depends on the swimming speed by considering the advection-diffusion of ammonia exuded from a translating sphere. Self-consistency between both models determines the values of the swimming speed and the de-gelation range. We find that H. pylori swims through mucus as if unconfined, in a large pocket of Newtonian fluid.

  9. Calculation of a mirror asymmetric effect in electron scattering from chiral targets. [in optically active medium

    NASA Technical Reports Server (NTRS)

    Rich, A.; Van House, J.; Hegstrom, R. A.

    1982-01-01

    A dynamical calculation is presented of the helicity induced in an initially unpolarized electron beam after elastic scattering from an optically active medium, a process analogous to the circular polarization induced in unpolarized light following Rayleigh scattering from chiral targets. The calculation is based on the bound helical electron model of a chiral molecule, according to which the major contribution to the helicity is provided by the perturbation of the electron bound state by the spin-orbit interaction of the bound electrons moving in the electric field of the molecular core. The net helicity acquired is found to depend directly on a molecular asymmetry factor and the square of the atomic number of the heaviest atom in an asymmetric environment. For the case of carbon, the induced helicity is on the order of 0.00001, which would account for its lack of observation in a recent experiment. Results may have implications for the origin of optical activity in biological molecules by the differential ionization of D and L isomers by beta-decay electrons.

  10. Experimental verification of the Acuros XB and AAA dose calculation adjacent to heterogeneous media for IMRT and RapidArc of nasopharygeal carcinoma

    SciTech Connect

    Kan, Monica W. K.; Leung, Lucullus H. T.; So, Ronald W. K.; Yu, Peter K. N.

    2013-03-15

    Purpose: To compare the doses calculated by the Acuros XB (AXB) algorithm and analytical anisotropic algorithm (AAA) with experimentally measured data adjacent to and within heterogeneous medium using intensity modulated radiation therapy (IMRT) and RapidArc{sup Registered-Sign} (RA) volumetric arc therapy plans for nasopharygeal carcinoma (NPC). Methods: Two-dimensional dose distribution immediately adjacent to both air and bone inserts of a rectangular tissue equivalent phantom irradiated using IMRT and RA plans for NPC cases were measured with GafChromic{sup Registered-Sign} EBT3 films. Doses near and within the nasopharygeal (NP) region of an anthropomorphic phantom containing heterogeneous medium were also measured with thermoluminescent dosimeters (TLD) and EBT3 films. The measured data were then compared with the data calculated by AAA and AXB. For AXB, dose calculations were performed using both dose-to-medium (AXB{sub Dm}) and dose-to-water (AXB{sub Dw}) options. Furthermore, target dose differences between AAA and AXB were analyzed for the corresponding real patients. The comparison of real patient plans was performed by stratifying the targets into components of different densities, including tissue, bone, and air. Results: For the verification of planar dose distribution adjacent to air and bone using the rectangular phantom, the percentages of pixels that passed the gamma analysis with the {+-} 3%/3mm criteria were 98.7%, 99.5%, and 97.7% on the axial plane for AAA, AXB{sub Dm}, and AXB{sub Dw}, respectively, averaged over all IMRT and RA plans, while they were 97.6%, 98.2%, and 97.7%, respectively, on the coronal plane. For the verification of planar dose distribution within the NP region of the anthropomorphic phantom, the percentages of pixels that passed the gamma analysis with the {+-} 3%/3mm criteria were 95.1%, 91.3%, and 99.0% for AAA, AXB{sub Dm}, and AXB{sub Dw}, respectively, averaged over all IMRT and RA plans. Within the NP region where

  11. Amino acid conversions by coagulase-negative staphylococci in a rich medium: Assessment of inter- and intraspecies heterogeneity.

    PubMed

    Stavropoulou, Despoina Angeliki; Borremans, Wim; De Vuyst, Luc; De Smet, Stefaan; Leroy, Frédéric

    2015-11-01

    The ability of coagulase-negative staphylococci (CNS) to convert amino acids into volatile compounds and biogenic amines was investigated after 24h and 48 h of incubation in a rich medium (brain heart infusion). Volatile compounds were measured with static-headspace gas chromatography and mass spectrometry (SH-GC-MS); biogenic amine measurements were carried out with a newly developed method based on ultra-performance liquid chromatography coupled to tandem mass spectrometry (UPLC-MS/MS). In total, 56 CNS strains from five different species were used, namely Staphylococcus carnosus, Staphylococcus epidermidis, Staphylococcus equorum, Staphylococcus saprophyticus, and Staphylococcus xylosus. With respect to the production of volatile compounds, the leucine-derived 3-methyl butanol was produced over time by most CNS strains, up to 52 μM for S. xylosus W1-1 after 48 h of incubation. The average production by strains of S. xylosus was significantly higher than for strains of S. carnosus, whereas strains of S. epidermidis turned out to be poor producers. Yet, differences between species were blurred to a large degree because of the high strain variability. A few strains also produced 3-methyl butanal on top of the amount that was already present in the medium background, although most CNS led to a decrease of this compound. Concerning biogenic amines, the average total concentrations per species remained below 100 μM after 48 h of incubation. The most abundant variant was 2-phenylethylamine (PEA), especially within S. carnosus (average of 65 μM after 48 h of incubation). Yet, some individual strains were able to produce higher concentrations, as found for the PEA production of 295 μM by S. epidermidis ATCC 12228 after 48 h of incubation. The insights obtained during this study indicate heterogeneity and are of importance in view of both starter culture development and the evaluation of a spontaneously established CNS microbiota in artisan-type meat fermentations

  12. Spectral Quasi-linearization Method for Homogeneous-Heterogeneous Reactions on Nonlinear Convection Flow of Micropolar Fluid Saturated Porous Medium with Convective Boundary Condition

    NASA Astrophysics Data System (ADS)

    RamReddy, Chetteti; Pradeepa, Teegala

    2016-05-01

    Based on the nonlinear variation of density with temperature (NDT) in the buoyancy term, the mixed convection flow along a vertical plate of a micropolar fluid saturated porous medium is considered. In addition, the effect of homogeneous-heterogeneous reaction and convective boundary condition has been taken into account. Using lie scaling group transformations, the similarity representation is attained for the system of partial differential equations, prior to being solved by a spectral quasilinearization method. The results show that in the presence of aiding and opposing flow situations, both the species concentration and mass transfer rate decreases when the strength of homogeneous and heterogeneous reaction parameters are enhanced.

  13. Calculation of the radiative heat exchange in a conical cavity of complex configuration with an absorptive medium

    NASA Technical Reports Server (NTRS)

    Surinov, Y. A.; Fedyanin, V. E.

    1975-01-01

    The generalized zonal method is used to calculate the distribution of the temperature factor on the lateral surface of a conical cavity of complex configuration (a Laval nozzle) containing an absorptive medium. The highest values of the radiation density occur on the converging part of the lateral surface of the complex conical cavity (Laval nozzle).

  14. A simple derivation of the formula to calculate synthetic long-period seismograms in a heterogeneous earth by normal mode summation

    NASA Technical Reports Server (NTRS)

    Tanimoto, T.

    1984-01-01

    A simple modification of Gilbert's formula to account for slight lateral heterogeneity of the earth leads to a convenient formula to calculate synthetic long period seismograms. Partial derivatives are easily calculated, thus the formula is suitable for direct inversion of seismograms for lateral heterogeneity of the earth. Previously announced in STAR as N83-29893

  15. A simple derivation of the formula to calculated synthetic long-period seismograms in a heterogeneous Earth by normal mode summation

    NASA Technical Reports Server (NTRS)

    Tanimoto, T.

    1983-01-01

    A simple modification of Gilbert's formula to account for slight lateral heterogeneity of the Earth leads to a convenient formula to calculate synthetic long period seismograms. Partial derivatives are easily calculated, thus the formula is suitable for direct inversion of seismograms for lateral heterogeneity of the Earth.

  16. Developing the Noncentrality Parameter for Calculating Group Sample Sizes in Heterogeneous Analysis of Variance

    ERIC Educational Resources Information Center

    Luh, Wei-Ming; Guo, Jiin-Huarng

    2011-01-01

    Sample size determination is an important issue in planning research. In the context of one-way fixed-effect analysis of variance, the conventional sample size formula cannot be applied for the heterogeneous variance cases. This study discusses the sample size requirement for the Welch test in the one-way fixed-effect analysis of variance with…

  17. Experimental verification of a Monte Carlo-based MLC simulation model for IMRT dose calculations in heterogeneous media

    NASA Astrophysics Data System (ADS)

    Tyagi, N.; Curran, B. H.; Roberson, P. L.; Moran, J. M.; Acosta, E.; Fraass, B. A.

    2008-02-01

    IMRT often requires delivering small fields which may suffer from electronic disequilibrium effects. The presence of heterogeneities, particularly low-density tissues in patients, complicates such situations. In this study, we report on verification of the DPM MC code for IMRT treatment planning in heterogeneous media, using a previously developed model of the Varian 120-leaf MLC. The purpose of this study is twofold: (a) design a comprehensive list of experiments in heterogeneous media for verification of any dose calculation algorithm and (b) verify our MLC model in these heterogeneous type geometries that mimic an actual patient geometry for IMRT treatment. The measurements have been done using an IMRT head and neck phantom (CIRS phantom) and slab phantom geometries. Verification of the MLC model has been carried out using point doses measured with an A14 slim line (SL) ion chamber inside a tissue-equivalent and a bone-equivalent material using the CIRS phantom. Planar doses using lung and bone equivalent slabs have been measured and compared using EDR films (Kodak, Rochester, NY).

  18. PROGRESS REPORT. MIGRATION AND ENTRAPMENT OF DNAPLS IN HETEROGENEOUS SYSTEMS: IMPACT OF WASTE AND POROUS MEDIUM COMPOSITION

    EPA Science Inventory

    Previously funded EMSP research efforts have been directed towards the quantification of dense nonaqueous phase liquid (DNAPL) migration and entrapment behavior in physically and chemically heterogeneous systems. This important research has demonstrated that chemical heterogeneit...

  19. Comparison of commercially available three-dimensional treatment planning algorithms for monitor unit calculations in the presence of heterogeneities.

    PubMed

    Butts, J R; Foster, A E

    2001-01-01

    This study uses an anthropomorphic phantom and its computed tomography (CT) data set to evaluate monitor unit (MU) calculations using the CMS Focus Clarkson, the CMS Focus Multigrid Superposition Model, the CMS Focus FFT Convolution Model, and the ADAC Pinnacle Collapsed Cone Convolution Superposition Algorithms. Using heterogeneity corrections, a treatment plan and corresponding MU calculations were generated for several typical clinical situations. A diode detector, placed in an anthropomorphic phantom, was used to compare the treatment planning algorithms' predicted doses with measured data. Differences between diode measurements and the algorithms' calculations were within reasonable levels of acceptability as recommended by Van Dyk et al. [Int. J. Rad. Onc. Biol. Phys. 26, 261-273 (1993)], except for the CMS Clarkson algorithm, which predicted too few MU for delivery of the intended dose to chest wall fields. PMID:11674836

  20. Validation of XiO Electron Monte Carlo-based calculations by measurements in a homogeneous phantom and by EGSnrc calculations in a heterogeneous phantom.

    PubMed

    Edimo, P; Kwato Njock, M G; Vynckier, S

    2013-11-01

    The purpose of the present study is to perform a clinical validation of a new commercial Monte Carlo (MC) based treatment planning system (TPS) for electron beams, i.e. the XiO 4.60 electron MC (XiO eMC). Firstly, MC models for electron beams (4, 8, 12 and 18 MeV) have been simulated using BEAMnrc user code and validated by measurements in a homogeneous water phantom. Secondly, these BEAMnrc models have been set as the reference tool to evaluate the ability of XiO eMC to reproduce dose perturbations in the heterogeneous phantom. In the homogeneous phantom calculations, differences between MC computations (BEAMnrc, XiO eMC) and measurements are less than 2% in the homogeneous dose regions and less than 1 mm shifting in the high dose gradient regions. As for the heterogeneous phantom, the accuracy of XiO eMC has been benchmarked with predicted BEAMnrc models. In the lung tissue, the overall agreement between the two schemes lies under 2.5% for the most tested dose distributions at 8, 12 and 18 MeV and is better than the 4 MeV one. In the non-lung tissue, a good agreement has been found between BEAMnrc simulation and XiO eMC computation for 8, 12 and 18 MeV. Results are worse in the case of 4 MeV calculations (discrepancies ≈ 4%). XiO eMC can predict dose perturbation induced by high-density heterogeneities for 8, 12 and 18 MeV. However, significant deviations found in the case of 4 MeV demonstrate that caution is necessary in using XiO eMC at lower electron energies. PMID:23010450

  1. Heterogeneous processes involving nitrogenous compounds and Saharan dust inferred from measurements and model calculations

    NASA Astrophysics Data System (ADS)

    Galy-Lacaux, C.; Carmichael, G. R.; Song, C. H.; Lacaux, J. P.; Al Ourabi, H.; Modi, A. I.

    2001-01-01

    Experimental data on aerosol chemical composition and gaseous concentrations in various African ecosystems have been obtained under the IGAC DEBITS AFRICA (IDAF) program. In this paper, data covering a complete wet and dry season (1996 and 1998) in the semiarid savanna of the Sahelian region of Niger are presented. The analysis of the aerosol chemical composition and the gas phase concentrations at the Banizoumbou station indicates two strong signatures: a nitrogenous component composed of nitric acid, ammonia, particulate ammonium, and nitrates; and a terrigenous component originating from semiarid and desert soils (calcium, carbonates, magnesium, potassium, sulfate). To further investigate the interactions between gas and particles and to help interpret the IDAF experimental data, these data are analyzed using a gas aerosol equilibrium model (Simulating Composition of Atmospheric Particles at Equilibrium (SCAPE)). The model is found to accurately represent the mean aerosol composition for the dry and the wet season of the studied region. It is found that heterogeneous processes involving terrigenous compounds are important and play a major role in partitioning semivolatile species, such as nitric acid, between the gas and aerosol phases. The important role of these heterogeneous processes in the atmospheric chemistry in the Sahelian region is discussed. To compare results obtained in the semiarid savanna of Niger and other African ecosystems, SCAPE model is also applied to humid savanna and forest using IDAF and Experiment for Regional Sources and Sinks of Oxidants (EXPRESSO) measurements.

  2. Water adsorption in SAPO-34: elucidating the role of local heterogeneities and defects using dispersion-corrected DFT calculations.

    PubMed

    Fischer, Michael

    2015-10-14

    The chabazite-type silicoaluminophosphate SAPO-34 is a promising adsorbent for applications in thermal energy storage using water adsorption-desorption cycles. In order to develop a microscopic understanding of the impact of local heterogeneities and defects on the water adsorption properties, the interaction of different models of SAPO-34 with water was studied using dispersion-corrected density-functional theory (DFT-D) calculations. In addition to SAPO-34 with isolated silicon atoms, the calculations considered models incorporating two types of heterogeneities (silicon islands, aluminosilicate domains), and two defect-containing (partially and fully desilicated) systems. DFT-D optimisations were performed for systems with small amounts of adsorbed water, in which all H2O molecules can interact with framework protons, and systems with large amounts of adsorbed water (30 H2O molecules per unit cell). At low loadings, the host-guest interaction energy calculated for SAPO-34 with isolated Si atoms amounts to approximately -90 kJ mol(-1). While the presence of local heterogeneities leads to the creation of some adsorption sites that are energetically slightly more favourable, the interaction strength is drastically reduced in systems with defects. At high water loadings, energies in the range of -70 kJ mol(-1) are obtained for all models. The DFT-D interaction energies are in good agreement with experimentally measured heats of water adsorption. A detailed analysis of the equilibrium structures was used to gain insights into the binding modes at low coverages, and to assess the extent of framework deprotonation and changes in the coordination environment of aluminium atoms at high water loadings. PMID:26352329

  3. Impact of Heterogeneity-Based Dose Calculation Using a Deterministic Grid-Based Boltzmann Equation Solver for Intracavitary Brachytherapy

    SciTech Connect

    Mikell, Justin K.; Klopp, Ann H.; Gonzalez, Graciela M.N.; Kisling, Kelly D.; Price, Michael J.; Berner, Paula A.; Eifel, Patricia J.; Mourtada, Firas

    2012-07-01

    Purpose: To investigate the dosimetric impact of the heterogeneity dose calculation Acuros (Transpire Inc., Gig Harbor, WA), a grid-based Boltzmann equation solver (GBBS), for brachytherapy in a cohort of cervical cancer patients. Methods and Materials: The impact of heterogeneities was retrospectively assessed in treatment plans for 26 patients who had previously received {sup 192}Ir intracavitary brachytherapy for cervical cancer with computed tomography (CT)/magnetic resonance-compatible tandems and unshielded colpostats. The GBBS models sources, patient boundaries, applicators, and tissue heterogeneities. Multiple GBBS calculations were performed with and without solid model applicator, with and without overriding the patient contour to 1 g/cm{sup 3} muscle, and with and without overriding contrast materials to muscle or 2.25 g/cm{sup 3} bone. Impact of source and boundary modeling, applicator, tissue heterogeneities, and sensitivity of CT-to-material mapping of contrast were derived from the multiple calculations. American Association of Physicists in Medicine Task Group 43 (TG-43) guidelines and the GBBS were compared for the following clinical dosimetric parameters: Manchester points A and B, International Commission on Radiation Units and Measurements (ICRU) report 38 rectal and bladder points, three and nine o'clock, and {sub D2cm3} to the bladder, rectum, and sigmoid. Results: Points A and B, D{sub 2} cm{sup 3} bladder, ICRU bladder, and three and nine o'clock were within 5% of TG-43 for all GBBS calculations. The source and boundary and applicator account for most of the differences between the GBBS and TG-43 guidelines. The D{sub 2cm3} rectum (n = 3), D{sub 2cm3} sigmoid (n = 1), and ICRU rectum (n = 6) had differences of >5% from TG-43 for the worst case incorrect mapping of contrast to bone. Clinical dosimetric parameters were within 5% of TG-43 when rectal and balloon contrast were mapped to bone and radiopaque packing was not overridden. Conclusions

  4. Impact of heterogeneity-based dose calculation using a deterministic grid-based Boltzmann equation solver for intracavitary brachytherapy

    PubMed Central

    Mikell, Justin K.; Klopp, Ann H.; Gonzalez, Graciela M. N.; Kisling, Kelly D.; Price, Michael J.; Berner, Paula A.; Eifel, Patricia J.; Mourtada, and Firas

    2014-01-01

    Purpose To investigate the dosimetric impact of the heterogeneity dose calculation Acuros, a grid-based Boltzmann equation solver (GBBS), for brachytherapy in a cohort of cervical cancer patients. Methods and Materials The impact of heterogeneities was retrospectively assessed in treatment plans for 26 patients who had previously received 192Ir intracavitary brachytherapy for cervical cancer with computed tomography (CT)/magnetic resonance (MR)-compatible tandems and unshielded colpostats. The GBBS models sources, patient boundaries, applicators, and tissue heterogeneities. Multiple GBBS calculations were performed: with and without solid model applicator, with and without overriding the patient contour to 1g/cc muscle, and with and without overriding contrast materials to muscle or 2.25 g/cc bone. Impact of source and boundary modeling, applicator, tissue heterogeneities, and sensitivity of CT-to-material mapping of contrast were derived from the multiple calculations. TG-43 and the GBBS were compared for the following clinical dosimetric parameters: Manchester points A and B, ICRU report #38 rectal and bladder points, three and nine o'clock, and D2cc to the bladder, rectum, and sigmoid. Results Points A, B, D2cc bladder, ICRU bladder, and three and nine o'clock were within 5% of TG-43 for all GBBS calculations. The source and boundary and applicator account for most of the differences between the GBBS and TG-43. The D2cc rectum (n=3), D2cc sigmoid (n=1), and ICRU rectum (n=6) had differences > 5% from TG-43 for the worst case incorrect mapping of contrast to bone. Clinical dosimetric parameters were within 5% of TG-43 when rectal and balloon contrast mapped to bone and radiopaque packing was not overridden. Conclusions The GBBS has minimal impact on clinical parameters for this cohort of GYN patients with unshielded applicators. The incorrect mapping of rectal and balloon contrast does not have a significant impact on clinical parameters. Rectal parameters may be

  5. Monte Carlo- versus pencil-beam-/collapsed-cone-dose calculation in a heterogeneous multi-layer phantom

    NASA Astrophysics Data System (ADS)

    Krieger, Thomas; Sauer, Otto A.

    2005-03-01

    The aim of this work was to evaluate the accuracy of dose predicted in heterogeneous media by a pencil beam (PB), a collapsed cone (CC) and a Monte Carlo (MC) algorithm. For this purpose, a simple multi-layer phantom composed of Styrofoam and white polystyrene was irradiated with 10 × 10 cm2 as well as 20 × 20 cm2 open 6 MV photon fields. The beam axis was aligned parallel to the layers and various field offsets were applied. Thereby, the amount of lateral scatter was controlled. Dose measurements were performed with an ionization chamber positioned both in the central layer of white polystyrene and the adjacent layers of Styrofoam. It was found that, in white polystyrene, both MC and CC calculations agreed satisfactorily with the measurements whereas the PB algorithm calculated 12% higher doses on average. By studying off-axis dose profiles the observed differences in the calculation results increased dramatically for the three algorithms. In the regions of low density CC calculated 10% (8%) lower doses for the 10 × 10 cm2 (20 × 20 cm2) fields than MC. The MC data on the other hand agreed well with the measurements, presuming that proper replacement correction for the ionization chamber embedded in Styrofoam was performed. PB results evidently did not account for the scattering geometry and were therefore not really comparable. Our investigations showed that the PB algorithm generates very large errors for the dose in the vicinity of interfaces and within low-density regions. We also found that for the used CC algorithm large deviations for the absolute dose (dose/monitor unit) occur in regions of electronic disequilibrium. The performance might be improved by better adapted parameters. Therefore, we recommend a careful investigation of the accuracy for dose calculations in heterogeneous media for each beam data set and algorithm.

  6. Efficient forward and adjoint calculations of normal mode spectra in laterally heterogeneous earth models using an iterative direct solution method

    NASA Astrophysics Data System (ADS)

    Al-Attar, D.; Woodhouse, J. H.

    2011-12-01

    Normal mode spectra provide a valuable data set for global seismic tomography, and, notably, are amongst the few geophysical observables that are sensitive to lateral variations in density structure within the Earth. Nonetheless, the effects of lateral density variations on mode spectra are rather subtle. In order, therefore, to reliably determine density variations with in the earth, it is necessary to make use of sufficiently accurate methods for calculating synthetic mode spectra. In particular, recent work has highlighted the need to perform 'full-coupling calculations' that take into account the interaction of large numbers of spherical earth multiplets. However, present methods for performing such full-coupling calculations require diagonalization of large coupling matrices, and so become computationally inefficient as the number of coupled modes is increased. In order to perform full-coupling calculations more efficiently, we describe a new implementation of the direct solution method for calculating synthetic spectra in laterally heterogeneous earth models. This approach is based on the solution of the inhomogeneous mode coupling equations in the frequency domain, and does not require the diagonalization of large matrices. Early implementations of the direct solution method used LU-decomposition to solve the mode coupling equations. However, as the number of coupled modes is increased, this method becomes impractically slow. To circumvent this problem, we solve the mode coupling equations iteratively using the preconditioned biconjugate gradient algorithm. We present a number of numerical tests to display the accuracy and efficiency of this method for performing large full-coupling calculations. In addition, we describe a frequency-domain formulation of the adjoint method for the calculation of Frechet kernels that show the sensitivity of normal mode observations to variations in earth structure. The calculation of such Frechet kernels involves one solution

  7. Calculating infinite-medium {alpha}-eigenvalue spectra with a transition rate matrix method

    SciTech Connect

    Betzler, B. R.; Kiedrowski, B. C.; Brown, F. B.; Martin, W. R.

    2013-07-01

    The time-dependent behavior of the energy spectrum in neutron transport was investigated with a formulation, based on continuous-time Markov processes, for computing {alpha}-eigenvalues and eigenvectors in an infinite medium. For this, a research Monte Carlo code called TORTE was created and used to estimate elements of a transition rate matrix. TORTE is capable of using both multigroup and continuous-energy nuclear data, and verification was performed. Eigenvalue spectra for infinite homogeneous mixtures were obtained and an eigenfunction expansion was used to investigate transient behavior of the neutron energy spectrum. (authors)

  8. SU-E-T-162: Evaluation of Dose Calculation of RayStation Planning System in Heterogeneous Media

    SciTech Connect

    Xu, H; Yi, B; Chung, H; Prado, K; Chen, S

    2014-06-01

    Purpose: To investigate the clinical reliability of heterogeneity-based dose algorithm using RayStation treatment planning system v.4.0. Methods: The collapsed cone dose calculations in RayStation (RaySearch, Sweden) were compared with the measurements (ion chamber and EBT2 film) and with an in-house Monte Carlo algorithm. A heterogeneous multi-layer phantom and CT images of 4 lung cancer patients were used here. The phantom, composed of multiple solid water slabs and Styrofoams, was irradiated with 6MV beams perpendicular to the layers. The MLC-defined field sizes were 5×5, 10×10, 15×15 and 20×20cm{sup 2}. The chamber was positioned at center of central solid water layer, and the films were placed at interfaces of solid water and Styrofoam. The RayStation dose and Monte Carlo dose were compared by performing absolute gamma analysis (3mm/3%): 1D gamma for PDD in the phantom and 3D gamma for patient volumes receiving dose above 10% of maximum dose. Results: The point dose differences between RayStation and ion chamber measurement were smaller than 1% for all of the field sizes. Between RayStation and film measurement, 5×5cm2 field had the maximum differences : <4mm for the penumbra and <0.3mm for the field width at all Styrofoam-and-solid-water interfaces. The absolute gamma analysis showed good agreement between RayStation and Monte Carlo. For PDD along beam axis in the phantom, the 1D gamma was 95.4, 98.6, 99.6 and 99.3% for field size 5×5, 10×10, 15×15 and 20×202 respectively. For dose comparison using patient CT images, 3D gamma was > 95% for all the patients. Conclusion: With respect to ion chamber/film measurement and Monte Carlo calculation, the collapsed cone algorithm in RayStation computed reasonable dose in both phantom and patient cases. Heterogeneity-based dose calculation of RayStation is clinically acceptable in heterogeneous media.

  9. Influences of Flow Transients and Porous Medium Heterogeneity on Colloid-Associated Contaminants Transport in the Vadose Zone

    SciTech Connect

    Saiers, James E.; Ryan, Joseph

    2003-06-15

    During the past year (June 2003 to June 2004), work at Yale has centered on investigating the influences of porewater pH, flow transients, and the presence of natural organic matter (NOM) on the deposition and mobilization of clay colloids (kaolinite and illite) within columns packed with unsaturated porous media. The experiments on pH and flow-transient effects were described in our First-Term Progress Report (which covered the initial 18 months of the study) and will not be repeated here. More recent experiments on the role of NOM in colloid transport proved equally as interesting. Even at porewater concentrations as low as 0.2 mg/L, soil-humic acid substantially lowered clay-colloid deposition rates compared to the case in which soil-humic acid was absent from the porewater. We attribute this to adsorption of the humic acid to the positively charged edge sites of the clay colloids, which effectively reduced the colloid affinity for negatively charged air- and solid-water interfaces. Comparison of the results of the column experiments to calculations of a new mathematical model has sharpened our inferences regarding mechanisms that govern the rate-limited deposition and mobilization of colloids. We are testing these inferences by carrying out flow-and-transport visualization experiments. We have constructed a semi-transparent representation of a porous medium, consisting of a rectangular parallel-plate chamber that encloses 3-5 layers of uniformly sized sand grains. Ceramic plates fused to the ends of the chamber maintain the capillary tension and syringe pumps (located at the inlet and outlet ends) regulate the flow of water and colloids through the partially saturated sand. By placing the chamber beneath a microscope, we can examine the distribution of colloids between air-water and solid-water interfaces, directly measure the kinetics of deposition onto these interfaces, and observe the mechanisms that contribute to the release of immobile colloids. To date

  10. Component mode synthesis methods applied to 3D heterogeneous core calculations, using the mixed dual finite element solver MINOS

    SciTech Connect

    Guerin, P.; Baudron, A. M.; Lautard, J. J.

    2006-07-01

    This paper describes a new technique for determining the pin power in heterogeneous core calculations. It is based on a domain decomposition with overlapping sub-domains and a component mode synthesis technique for the global flux determination. Local basis functions are used to span a discrete space that allows fundamental global mode approximation through a Galerkin technique. Two approaches are given to obtain these local basis functions: in the first one (Component Mode Synthesis method), the first few spatial eigenfunctions are computed on each sub-domain, using periodic boundary conditions. In the second one (Factorized Component Mode Synthesis method), only the fundamental mode is computed, and we use a factorization principle for the flux in order to replace the higher order Eigenmodes. These different local spatial functions are extended to the global domain by defining them as zero outside the sub-domain. These methods are well-fitted for heterogeneous core calculations because the spatial interface modes are taken into account in the domain decomposition. Although these methods could be applied to higher order angular approximations - particularly easily to a SPN approximation - the numerical results we provide are obtained using a diffusion model. We show the methods' accuracy for reactor cores loaded with UOX and MOX assemblies, for which standard reconstruction techniques are known to perform poorly. Furthermore, we show that our methods are highly and easily parallelizable. (authors)

  11. Predictive modeling of flow and transport in a two-dimensional intermediate-scale, heterogeneous porous medium

    USGS Publications Warehouse

    Barth, G.R.; Hill, M.C.; Illangasekare, T.H.; Rajaram, H.

    2001-01-01

    As a first step toward understanding the role of sedimentary structures in flow and transport through porous media, this work deterministically examines how small-scale laboratory-measured values of hydraulic conductivity relate to in situ values of simple, artificial structures in an intermediate-scale (10 m long), two-dimensional, heterogeneous, laboratory experiment. Results were judged based on how well simulations using measured values of hydraulic conductivities matched measured hydraulic heads, net flow, and transport through the tank. Discrepancies were investigated using sensitivity analysis and nonlinear regression estimates of the in situ hydraulic conductivity that produce the best fit to measured hydraulic heads and net flow. Permeameter and column experiments produced laboratory measurements of hydraulic conductivity for each of the sands used in the intermediate-scale experiments. Despite explicit numerical representation of the heterogeneity the laboratory-measured values underestimated net flow by 12-14% and were distinctly smaller than the regression-estimated values. The significance of differences in measured hydraulic conductivity values was investigated by comparing variability of transport predictions using the different measurement methods to that produced by different realizations of the heterogeneous distribution. Results indicate that the variations in measured hydraulic conductivity were more important to transport than variations between realizations of the heterogeneous distribution of hydraulic conductivity.

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

    PubMed

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

    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. PMID:25053312

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

    NASA Astrophysics Data System (ADS)

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

    2014-07-01

    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.

  14. 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.

  15. Tailored density profile of heterogeneous underdense medium of a multi-foil assembly for multi-keV x-ray sources optimization

    NASA Astrophysics Data System (ADS)

    Primout, Michel; Babonneau, Daniele; Videau, Laurent; Jacquet, Laurent; CEA, DAM, DIF Team

    2015-11-01

    We studied multi-keV x-ray source made of titanium foils assembly. The purpose of this heterogeneous structure is to create a medium with the same hydroradiative properties as an efficient -but yet non existing- pure metallic-like underdense homogeneous medium. We can mimic the multi-keV x-ray emission of an equivalent underdense medium of any density between 5 and 40 mg /cc . For both cases, the highest multi-keV x-ray conversion efficiency has been found at density around 20 mg/cc. This optimum is best realized by assembly of a set of 0.1 μm titanium foils separated by 20 μm of vacuum. Note that the concept can be easily extended to higher Z materials like iron, copper or germanium at higher x-ray emission energy. This approach allows us to build any non uniform homogeneous underdense medium with tailored density profiles : increasing or decreasing ones, both longitudinally and transversally to the laser incident direction. This is a very promising method provided that we can design any foils assembly with thickness as low as 0.1 μm , what has been proved feasible in recent studies of the reference [Shao-yong Tu et al. in PoP, 21, 043107, 2014]. Each configuration has been simulated by the 2D rad-hydro code FCI2 with Arbitrary Eulerian-Lagrangian rezoning option.

  16. First-principles calculations of the thermodynamic properties of transuranium elements in a molten salt medium

    NASA Astrophysics Data System (ADS)

    Noh, Seunghyo; Kwak, Dohyun; Lee, Juseung; Kang, Joonhee; Han, Byungchan

    2014-03-01

    We utilized first-principles density-functional-theory (DFT) calculations to evaluate the thermodynamic feasibility of a pyroprocessing methodology for reducing the volume of high-level radioactive materials and recycling spent nuclear fuels. The thermodynamic properties of transuranium elements (Pu, Np and Cm) were obtained in electrochemical equilibrium with a LiCl-KCl molten salt as ionic phases and as adsorbates on a W(110) surface. To accomplish the goal, we rigorously calculated the double layer interface structures on an atomic resolution, on the thermodynamically most stable configurations on W(110) surfaces and the chemical activities of the transuranium elements for various coverages of those elements. Our results indicated that the electrodeposition process was very sensitive to the atomic level structures of Cl ions at the double-layer interface. Our studies are easily expandable to general electrochemical applications involving strong redox reactions of transition metals in non-aqueous solutions.

  17. Calculating the performance of 1{endash}3 piezoelectric composites for hydrophone applications: An effective medium approach

    SciTech Connect

    Avellaneda, M.; Swart, P.J.

    1998-03-01

    A new method is presented for evaluating the performance of 1{endash}3 polymer/piezoelectric ceramic composites for hydrophone applications. The Poisson`s ratio effect, i.e., the enhancement of the hydrostatic performance which can be achieved by mixing piezoelectric ceramics with polymers, is studied in detail. Using an `effective medium` approach, algebraic expressions are derived for the composite hydrostatic charge coefficient d{sub h}, the hydrostatic figure of merit d{sub h}g{sub h}, and the hydrostatic electromechanical coupling coefficient k{sub h} in terms of the properties of the constituent materials, the ceramic volume fraction, and a microstructural parameter p. The high contrast in stiffness and dielectric constants existing between the two phases can be exploited to derive simple, geometry-independent approximations which explain quantitatively the Poisson`s ratio effect. It is demonstrated that the stiffness and the Poisson`s ratio of the polymer matrix play a crucial role in enhancing hydrophone performance. Using a differential scheme to model the parameter p, we evaluate d{sub h}, d{sub h}g{sub h}, and k{sub h} for polymer/piezoelectric ceramic systems at varying compositions. Several examples involving Pb(Zr,Ti)O{sub 3} and (Pb,Ca)TiO{sub 3} piezoelectric ceramics are given to illustrate the theory. {copyright} {ital 1998 Acoustical Society of America.}

  18. Calculation of pressure and temperature in medium-voltage electrical installations due to fault arcs

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Zhang, J.; Gockenbach, E.

    2008-05-01

    In order to determine the pressure rise due to arc faults in electrical installations, the portion of energy heating the surrounding gas of fault arcs has to be known. The ratio of the portion of energy to the electric energy, the thermal transfer coefficient, is adopted as the kp factor. This paper presents a theoretical approach for the determination of the thermal transfer coefficient and the pressure rise in electrical installations. It is based on the fundamental hydro- and thermodynamic conservation equations and the equation of gas state taking into account melting and evaporation of metals as well as chemical reactions with the surrounding gas. In order to consider the dependence of the arc energy on the gas density, the radiative effect of fault arcs on the energy balance is introduced into the arc model by using the net emission coefficient as a function of gas density, arc temperature and arc radius. The results for a test container show that factors such as the kinds of insulating gases and of electrode materials, the size of test vessels and the gas density considerably influence the thermal transfer coefficient and thus the pressure rise. Furthermore, it is demonstrated, for an example of the arc fault in a compact medium-voltage station with pressure relief openings and a pressure relief channel, that the arc energy and the arc temperature can be simulated based on the changing gas density.

  19. Calculation of free energies in fluid membranes subject to heterogeneous curvature fields

    NASA Astrophysics Data System (ADS)

    Agrawal, Neeraj J.; Radhakrishnan, Ravi

    2009-07-01

    We present a computational methodology for incorporating thermal effects and calculating relative free energies for elastic fluid membranes subject to spatially dependent intrinsic curvature fields using the method of thermodynamic integration. Based on a simple model for the intrinsic curvature imposed only in a localized region of the membrane, we employ thermodynamic integration to calculate the free-energy change as a function of increasing strength of the intrinsic curvature field and a thermodynamic cycle to compute free-energy changes for different sizes of the localized region. By explicitly computing the free-energy changes and by quantifying the loss of entropy accompanied with increasing membrane deformation, we show that the membrane stiffness increases with increasing intrinsic field, thereby, renormalizing the membrane bending rigidity. The second main conclusion of this work is that the entropy of the membrane decreases with increasing size of the localized region subject to the curvature field. Our results help to quantify the free-energy change when a planar membrane deforms under the influence of curvature-inducing proteins at a finite temperature.

  20. On the propagation of a quasi-static disturbance in a heterogeneous, deformable, and porous medium with pressure-dependent properties

    SciTech Connect

    Vasco, D.W.

    2011-10-01

    Using an asymptotic technique, valid when the medium properties are smoothly-varying, I derive a semi-analytic expression for the propagation velocity of a quasi-static disturbance traveling within a nonlinear-elastic porous medium. The phase, a function related to the propagation time, depends upon the properties of the medium, including the pressure-sensitivities of the medium parameters, and on pressure and displacement amplitude changes. Thus, the propagation velocity of a disturbance depends upon its amplitude, as might be expected for a nonlinear process. As a check, the expression for the phase function is evaluated for a poroelastic medium, when the material properties do not depend upon the fluid pressure. In that case, the travel time estimates agree with conventional analytic estimates, and with values calculated using a numerical simulator. For a medium with pressure-dependent permeability I find general agreement between the semi-analytic estimates and estimates from a numerical simulation. In this case the pressure amplitude changes are obtained from the numerical simulator.

  1. Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid.

    PubMed

    Choi, Sunghwan; Kwon, Oh-Kyoung; Kim, Jaewook; Kim, Woo Youn

    2016-09-15

    We investigated the performance of heterogeneous computing with graphics processing units (GPUs) and many integrated core (MIC) with 20 CPU cores (20×CPU). As a practical example toward large scale electronic structure calculations using grid-based methods, we evaluated the Hartree potentials of silver nanoparticles with various sizes (3.1, 3.7, 4.9, 6.1, and 6.9 nm) via a direct integral method supported by the sinc basis set. The so-called work stealing scheduler was used for efficient heterogeneous computing via the balanced dynamic distribution of workloads between all processors on a given architecture without any prior information on their individual performances. 20×CPU + 1GPU was up to ∼1.5 and ∼3.1 times faster than 1GPU and 20×CPU, respectively. 20×CPU + 2GPU was ∼4.3 times faster than 20×CPU. The performance enhancement by CPU + MIC was considerably lower than expected because of the large initialization overhead of MIC, although its theoretical performance is similar with that of CPU + GPU. © 2016 Wiley Periodicals, Inc. PMID:27431905

  2. Efficient seismic traveltime calculations in 3D anisotropic earth media possessing full heterogeneity in elastic tensor symmetry and arbitrary tilt

    NASA Astrophysics Data System (ADS)

    Okaya, D. A.; Van Avendonk, H. J.

    2013-12-01

    Recent anisotropy studies at scales ranging from crust to full mantle have recognized the importance of 3D anisotropy geometry and heterogeneity as well as variability in anisotropic symmetry and orientation (tilt) of the Earth. The strong relationship between seismic anisotropy and geodynamic processes highlights the need to construct realistic Earth models that can explain observations of anisotropy in modern seismic data sets. For example, ray paths through a mantle slab window or a mountain belt may show that the crust or mantle exhibits low-order anisotropy due to a history of deformation and the development of tectonic fabrics. Observed traveltimes might not be fit with simple Transverse Isotropy (TI), so realistic calculations require an Earth model that accurately describes the wave speeds of compressional and shear waves. We have developed an anisotropic traveltime solver that allows for full 3D heterogeneity of anisotropy tensors, degrees of symmetry, and arbitrary orientation. This traveltime solver is based on the robust shortest path method (SPM) and a ray-bending algorithm that were previously applied to isotropic media (e.g., Van Avendonk et al., 2001). Instead of using an isotropic description of the seismic wave velocity, we define the full elastic tensor at each location in the model. The directional seismic velocity can subsequently be extracted using solutions of the Christoffel equations. For computational efficiency, we calculate all directional seismic velocities at each model node before the start of ray tracing. As we calculate a new ray segment, this information is quickly retrieved. We use these directional velocity maps to separately describe the propagation of compressional (P) and shear (S) body waves in anisotropic media and to subsequently calculate their traveltimes. Patterns within the velocity maps represent tensor symmetries and tilts, allowing for the construction of discretized large-scale 3D LPO flow fields or fabric

  3. Calculation of motion of a spherical drop in the Bingham medium

    NASA Astrophysics Data System (ADS)

    Pivovarov, Yu. V.

    2012-07-01

    Mathematical modeling of the experimentally observed process of approaching of two identical oil drops located in an alcohol-water solution (matrix) with an identical density is performed. It is found that the drop moves in cycles consisting of the state at rest, acceleration, and deceleration; the cycle time is about 10-2 s. Violation of the balance of forces on the drop boundary in the state at rest is caused by the fact that the shear stresses on this boundary cannot exceed the yield stress of the matrix, and the normal stresses are determined by solving the problem of the elasticity theory, because intermolecular bonds in the quiescent matrix make it similar to a solid. The results of drop motion calculations and experimental data agree well during the entire process of drop approaching, except for the final stage, which can be attributed to the neglect of hydrodynamic interaction of the drops.

  4. A T-matrix calculation for in-medium heavy-quark gluon scattering

    NASA Astrophysics Data System (ADS)

    Huggins, K.; Rapp, R.

    2012-12-01

    The interactions of charm and bottom quarks in a quark-gluon plasma (QGP) are evaluated using a thermodynamic 2-body T-matrix. We specifically focus on heavy-quark (HQ) interactions with thermal gluons with an input potential motivated by lattice-QCD computations of the HQ free energy. The latter is implemented into a field-theoretic ansatz for color-Coulomb and (remnants of) confining interactions. This, in particular, enables to discuss corrections to the potential approach, specifically hard-thermal-loop corrections to the vertices, relativistic corrections deduced from pertinent Feynman diagrams, and a suitable projection on transverse thermal gluons. The resulting potentials are applied to compute scattering amplitudes in different color channels and utilized for a calculation of the corresponding HQ drag coefficient in the QGP. A factor of ˜2-3 enhancement over perturbative results is obtained, mainly driven by the resummation in the attractive color-channels.

  5. Partial matches in heterogeneous offender databases do not call into question the validity of random match probability calculations.

    PubMed

    Budowle, Bruce; Baechtel, F Samuel; Chakraborty, Ranajit

    2009-01-01

    Offender DNA databases have been highly successful tools for generating investigative leads. Due to their success, the database sizes have increased such that some have suggested using the DNA profiles in offender databases for empirical pairwise studies to provide inferences regarding the validity of the current practices for generating random match probability estimates. These critics use observations under the assumption of independence to suggest that the current forensic DNA statistical calculations are invalid. However, some of these databases, such as CODIS, are not appropriate for such studies because they contain duplicate profiles and profiles of close relatives and are highly heterogeneous (i.e., comprised of individuals from many different population groups with unknown proportions). Observed departures from expectations will occur using these databases, but would have no relevance for questioning the reliability of statistical practices because the very heterogeneous data sets would be expected to violate the basic assumptions of independence. In addition, 9-, 10-, 11-, and 12-locus (out of 13 loci) matching profiles have been observed, are expected, and do not call into question the reliability of statistical practices. The phenomenon of matching profiles is similar to the concept of the birthday scenario. Regardless, simple computations under the assumption of independence for guideline purposes only show that partial matches observed in offender databases are not inconsistent with expectations. Indeed, computed random match probabilities that explain the observed matching profiles from pairwise comparisons are smaller than those observed based on routine casework calculations. Data analyses from offender databases based on assumptions of independence do not provide any basis for questioning the legitimacy of computations of random match probability values of any specific target profile based on the modified product rule that are currently followed

  6. Experimental verification of internal dosimetry calculations: Construction of a heterogeneous phantom based on human organs

    NASA Astrophysics Data System (ADS)

    Lauridsen, Bente; Hedemann Jensen, Per

    1987-03-01

    The basic dosimetric quantity in ICRP-publication no. 30 is the aborbed fraction AF( T←S). This parameter is the fraction of energy absorbed in a target organ T per emission of radiation from activity deposited in the source organ S. Based upon this fraction it is possible to calculate the Specific Effective Energy SEE( T← S). From this, the committed effective dose equivalent from an intake of radioactive material can be found, and thus the annual limit of intake for given radionuclides can be determined. A male phantom has been constructed with the aim of measuring the Specific Effective Energy SEE(T←S) in various target organs. Impressions-of real human organs have been used to produce vacuum forms. Tissue equivalent plastic sheets were sucked into the vacuum forms producing a shell with a shape identical to the original organ. Each organ has been made of two shells. The same procedure has been used for the body. Thin tubes through the organs make it possible to place TL dose meters in a matrix so the dose distribution can be measured. The phantom has been supplied with lungs, liver, kidneys, spleen, stomach, bladder, pancreas, and thyroid gland. To select a suitable body liquid for the phantom, laboratory experiments have been made with different liquids and different radionuclides. In these experiments the change in dose rate due to changes in density and composition of the liquid was determined. Preliminary results of the experiments are presented.

  7. Correlation between Dynamic Heterogeneity and Medium-Range Order in Two-Dimensional Glass-Forming Liquids

    SciTech Connect

    Kawasaki, Takeshi; Araki, Takeaki; Tanaka, Hajime

    2007-11-23

    A glassy state of matter results if crystallization is avoided upon cooling or increasing density. However, the physical factors controlling the ease of vitrification and nature of the glass transition remain elusive. Using numerical simulations of polydisperse hard disks, we find a direct relation between medium-range crystalline ordering and the slow dynamics which characterizes the glass transition. This suggests an intriguing scenario that the strength of frustration controls both the ease of vitrification and nature of the glass transition. Vitrification may be a process of hidden crystalline ordering under frustration, at least in our system.

  8. Percentage depth dose calculation accuracy of model based algorithms in high energy photon small fields through heterogeneous media and comparison with plastic scintillator dosimetry.

    PubMed

    Alagar, Ananda Giri Babu; Kadirampatti Mani, Ganesh; Karunakaran, Kaviarasu

    2016-01-01

    Small fields smaller than 4 × 4 cm2 are used in stereotactic and conformal treatments where heterogeneity is normally present. Since dose calculation accuracy in both small fields and heterogeneity often involves more discrepancy, algorithms used by treatment planning systems (TPS) should be evaluated for achieving better treatment results. This report aims at evaluating accuracy of four model-based algorithms, X-ray Voxel Monte Carlo (XVMC) from Monaco, Superposition (SP) from CMS-Xio, AcurosXB (AXB) and analytical anisotropic algorithm (AAA) from Eclipse are tested against the measurement. Measurements are done using Exradin W1 plastic scintillator in Solid Water phantom with heterogeneities like air, lung, bone, and aluminum, irradiated with 6 and 15 MV photons of square field size ranging from 1 to 4 cm2. Each heterogeneity is introduced individually at two different depths from depth-of-dose maximum (Dmax), one setup being nearer and another farther from the Dmax. The central axis percentage depth-dose (CADD) curve for each setup is measured separately and compared with the TPS algorithm calculated for the same setup. The percentage normalized root mean squared deviation (%NRMSD) is calculated, which represents the whole CADD curve's deviation against the measured. It is found that for air and lung heterogeneity, for both 6 and 15 MV, all algorithms show maximum deviation for field size 1 × 1 cm2 and gradually reduce when field size increases, except for AAA. For aluminum and bone, all algorithms' deviations are less for 15 MV irrespective of setup. In all heterogeneity setups, 1 × 1 cm2 field showed maximum deviation, except in 6MV bone setup. All algorithms in the study, irrespective of energy and field size, when any heterogeneity is nearer to Dmax, the dose deviation is higher compared to the same heterogeneity far from the Dmax. Also, all algorithms show maximum deviation in lower-density materials compared to high-density materials. PMID:26894345

  9. Final technical report: The effect of physical and chemical heterogeneities in a porous medium on the transport of bacteria

    SciTech Connect

    Hornberger, George M.; Mills, Aaron L.; Herman, Janet S.

    2001-04-01

    Among the demonstrated processes influencing the transport of bacteria through aquifers, the deposition of cells on mineral surfaces is one of the most important. Heterogeneous distribution of aquifer properties such as mineral-grain oxide coatings and preferred flow paths can control the numbers of microbes arriving a point down gradient from their injection, and these properties can also affect the distribution of the organisms remaining in the sedimentary matrix. The distribution of metal oxide coatings affects the final location of retained cells within the matrix but had no effect on total breakthrough of applied bacteria. We were able to demonstrate transverse mixing of both conservative tracers and bacteria between regions of differing hydraulic conductivity; the conservative tracer could be used to model the transverse mixing of the bacteria. We were able to show that the presence of metal oxide coatings on aquifer surfaces retarded a reactive tracer (SO{sub 4}{sup 2-}) that simulated bacterial retardation in the laboratory. When metal oxide coatings were absent (due to bacterial establishment of a reducing environment) the tracer and bacteria were not retarded. The effect was reproduced in a tracer experiment done in the field. The results suggest that bacterial transport in the subsurface is controlled by a number of interrelated and confounding factors that prevent accurate prediction of transport given the present state of knowledge.

  10. Evidence of wave front folding of sonic booms by a laboratory-scale deterministic experiment of shock waves in a heterogeneous medium.

    PubMed

    Ganjehi, Lili; Marchiano, Régis; Coulouvrat, François; Thomas, Jean-Louis

    2008-07-01

    The influence of the planetary boundary layer on the sonic boom received at the ground level is known since the 1960s to be of major importance. Sonic boom propagation in a turbulent medium is characterized by an increase of the mean rise time and a huge variability. An experiment is conducted at a 1:100,000 scale in water to investigate ultrasonic shock wave interaction with a single heterogeneity. The experiment shows a very good scaling with sonic boom, concerning the size of the heterogeneities, the wave amplitude, and the rise time of the incident wave. The wave front folding associated with local focusing, and its link to the increase of the rise time, are evidenced by the experiment. The observed amplification of the peak pressure (by a factor up to 2), and increase of the rise time (by up to about one magnitude order), are in qualitative agreement with sonic boom observations. A nonlinear parabolic model is compared favorably to the experiment on axis, though the paraxial approximation turns out less precise off axis. Simulations are finally used to discriminate between nonlinear and linear propagations, showing nonlinearities affect mostly the higher harmonics that are in the audible range for sonic booms. PMID:18646955

  11. Comparison of dose calculation algorithms in phantoms with lung equivalent heterogeneities under conditions of lateral electronic disequilibrium.

    PubMed

    Carrasco, P; Jornet, N; Duch, M A; Weber, L; Ginjaume, M; Eudaldo, T; Jurado, D; Ruiz, A; Ribas, M

    2004-10-01

    An extensive set of benchmark measurement of PDDs and beam profiles was performed in a heterogeneous layer phantom, including a lung equivalent heterogeneity, by means of several detectors and compared against the predicted dose values by different calculation algorithms in two treatment planning systems. PDDs were measured with TLDs, plane parallel and cylindrical ionization chambers and beam profiles with films. Additionally, Monte Carlo simulations by means of the PENELOPE code were performed. Four different field sizes (10 x 10, 5 x 5, 2 x 2, and 1 x 1 cm2) and two lung equivalent materials (CIRS, p(w)e=0.195 and St. Bartholomew Hospital, London, p(w)e=0.244-0.322) were studied. The performance of four correction-based algorithms and one based on convolution-superposition was analyzed. The correction-based algorithms were the Batho, the Modified Batho, and the Equivalent TAR implemented in the Cadplan (Varian) treatment planning system and the TMS Pencil Beam from the Helax-TMS (Nucletron) treatment planning system. The convolution-superposition algorithm was the Collapsed Cone implemented in the Helax-TMS. The only studied calculation methods that correlated successfully with the measured values with a 2% average inside all media were the Collapsed Cone and the Monte Carlo simulation. The biggest difference between the predicted and the delivered dose in the beam axis was found for the EqTAR algorithm inside the CIRS lung equivalent material in a 2 x 2 cm2 18 MV x-ray beam. In these conditions, average and maximum difference against the TLD measurements were 32% and 39%, respectively. In the water equivalent part of the phantom every algorithm correctly predicted the dose (within 2%) everywhere except very close to the interfaces where differences up to 24% were found for 2 x 2 cm2 18 MV photon beams. Consistent values were found between the reference detector (ionization chamber in water and TLD in lung) and Monte Carlo simulations, yielding minimal

  12. Comparison of dose calculation algorithms in phantoms with lung equivalent heterogeneities under conditions of lateral electronic disequilibrium

    SciTech Connect

    Carrasco, P.; Jornet, N.; Duch, M.A.; Weber, L.; Ginjaume, M.; Eudaldo, T.; Jurado, D.; Ruiz, A.; Ribas, M.

    2004-10-01

    An extensive set of benchmark measurement of PDDs and beam profiles was performed in a heterogeneous layer phantom, including a lung equivalent heterogeneity, by means of several detectors and compared against the predicted dose values by different calculation algorithms in two treatment planning systems. PDDs were measured with TLDs, plane parallel and cylindrical ionization chambers and beam profiles with films. Additionally, Monte Carlo simulations by meansof the PENELOPE code were performed. Four different field sizes (10x10, 5x5, 2x2, and1x1 cm{sup 2}) and two lung equivalent materials (CIRS, {rho}{sub e}{sup w}=0.195 and St. Bartholomew Hospital, London, {rho}{sub e}{sup w}=0.244-0.322) were studied. The performance of four correction-based algorithms and one based on convolution-superposition was analyzed. The correction-based algorithms were the Batho, the Modified Batho, and the Equivalent TAR implemented in the Cadplan (Varian) treatment planning system and the TMS Pencil Beam from the Helax-TMS (Nucletron) treatment planning system. The convolution-superposition algorithm was the Collapsed Cone implemented in the Helax-TMS. The only studied calculation methods that correlated successfully with the measured values with a 2% average inside all media were the Collapsed Cone and the Monte Carlo simulation. The biggest difference between the predicted and the delivered dose in the beam axis was found for the EqTAR algorithm inside the CIRS lung equivalent material in a 2x2 cm{sup 2} 18 MV x-ray beam. In these conditions, average and maximum difference against the TLD measurements were 32% and 39%, respectively. In the water equivalent part of the phantom every algorithm correctly predicted the dose (within 2%) everywhere except very close to the interfaces where differences up to 24% were found for 2x2 cm{sup 2} 18 MV photon beams. Consistent values were found between the reference detector (ionization chamber in water and TLD in lung) and Monte Carlo

  13. Impact of heterogeneity-corrected dose calculation using a grid-based Boltzmann solver on breast and cervix cancer brachytherapy

    PubMed Central

    Hofbauer, Julia; Kirisits, Christian; Resch, Alexandra; Xu, Yingjie; Sturdza, Alina; Pötter, Richard

    2016-01-01

    Purpose To analyze the impact of heterogeneity-corrected dose calculation on dosimetric quality parameters in gynecological and breast brachytherapy using Acuros, a grid-based Boltzmann equation solver (GBBS), and to evaluate the shielding effects of different cervix brachytherapy applicators. Material and methods Calculations with TG-43 and Acuros were based on computed tomography (CT) retrospectively, for 10 cases of accelerated partial breast irradiation and 9 cervix cancer cases treated with tandem-ring applicators. Phantom CT-scans of different applicators (plastic and titanium) were acquired. For breast cases the V20Gyαβ3 to lung, the D0.1cm3, D1cm3, D2cm3 to rib, the D0.1cm3, D1cm3, D10cm3 to skin, and Dmax for all structures were reported. For cervix cases, the D0.1cm3, D2cm3 to bladder, rectum and sigmoid, and the D50, D90, D98, V100 for the CTVHR were reported. For the phantom study, surrogates for target and organ at risk were created for a similar dose volume histogram (DVH) analysis. Absorbed dose and equivalent dose to 2 Gy fractionation (EQD2) were used for comparison. Results Calculations with TG-43 overestimated the dose for all dosimetric indices investigated. For breast, a decrease of ~8% was found for D10cm3 to the skin and 5% for D2cm3 to rib, resulting in a difference ~ –1.5 Gy EQD2 for overall treatment. Smaller effects were found for cervix cases with the plastic applicator, with up to –2% (–0.2 Gy EQD2) per fraction for organs at risk and –0.5% (–0.3 Gy EQD2) per fraction for CTVHR. The shielding effect of the titanium applicator resulted in a decrease of 2% for D2cm3 to the organ at risk versus 0.7% for plastic. Conclusions Lower doses were reported when calculating with Acuros compared to TG-43. Differences in dose parameters were larger in breast cases. A lower impact on clinical dose parameters was found for the cervix cases. Applicator material causes systematic shielding effects that can be taken into account. PMID

  14. A parallel code to calculate rate-state seismicity evolution induced by time dependent, heterogeneous Coulomb stress changes

    NASA Astrophysics Data System (ADS)

    Cattania, C.; Khalid, F.

    2016-09-01

    The estimation of space and time-dependent earthquake probabilities, including aftershock sequences, has received increased attention in recent years, and Operational Earthquake Forecasting systems are currently being implemented in various countries. Physics based earthquake forecasting models compute time dependent earthquake rates based on Coulomb stress changes, coupled with seismicity evolution laws derived from rate-state friction. While early implementations of such models typically performed poorly compared to statistical models, recent studies indicate that significant performance improvements can be achieved by considering the spatial heterogeneity of the stress field and secondary sources of stress. However, the major drawback of these methods is a rapid increase in computational costs. Here we present a code to calculate seismicity induced by time dependent stress changes. An important feature of the code is the possibility to include aleatoric uncertainties due to the existence of multiple receiver faults and to the finite grid size, as well as epistemic uncertainties due to the choice of input slip model. To compensate for the growth in computational requirements, we have parallelized the code for shared memory systems (using OpenMP) and distributed memory systems (using MPI). Performance tests indicate that these parallelization strategies lead to a significant speedup for problems with different degrees of complexity, ranging from those which can be solved on standard multicore desktop computers, to those requiring a small cluster, to a large simulation that can be run using up to 1500 cores.

  15. On the dosimetric behaviour of photon dose calculation algorithms in the presence of simple geometric heterogeneities: comparison with Monte Carlo calculations

    NASA Astrophysics Data System (ADS)

    Fogliata, Antonella; Vanetti, Eugenio; Albers, Dirk; Brink, Carsten; Clivio, Alessandro; Knöös, Tommy; Nicolini, Giorgia; Cozzi, Luca

    2007-03-01

    A comparative study was performed to reveal differences and relative figures of merit of seven different calculation algorithms for photon beams when applied to inhomogeneous media. The following algorithms were investigated: Varian Eclipse: the anisotropic analytical algorithm, and the pencil beam with modified Batho correction; Nucletron Helax-TMS: the collapsed cone and the pencil beam with equivalent path length correction; CMS XiO: the multigrid superposition and the fast Fourier transform convolution; Philips Pinnacle: the collapsed cone. Monte Carlo simulations (MC) performed with the EGSnrc codes BEAMnrc and DOSxyznrc from NRCC in Ottawa were used as a benchmark. The study was carried out in simple geometrical water phantoms (ρ = 1.00 g cm-3) with inserts of different densities simulating light lung tissue (ρ = 0.035 g cm-3), normal lung (ρ = 0.20 g cm-3) and cortical bone tissue (ρ = 1.80 g cm-3). Experiments were performed for low- and high-energy photon beams (6 and 15 MV) and for square (13 × 13 cm2) and elongated rectangular (2.8 × 13 cm2) fields. Analysis was carried out on the basis of depth dose curves and transverse profiles at several depths. Assuming the MC data as reference, γ index analysis was carried out distinguishing between regions inside the non-water inserts or inside the uniform water. For this study, a distance to agreement was set to 3 mm while the dose difference varied from 2% to 10%. In general all algorithms based on pencil-beam convolutions showed a systematic deficiency in managing the presence of heterogeneous media. In contrast, complicated patterns were observed for the advanced algorithms with significant discrepancies observed between algorithms in the lighter materials (ρ = 0.035 g cm-3), enhanced for the most energetic beam. For denser, and more clinical, densities a better agreement among the sophisticated algorithms with respect to MC was observed.

  16. Long-term flow/chemistry feedback in a porous medium with heterogenous permeability: Kinetic control of dissolution and precipitation

    SciTech Connect

    Bolton, E.W.; Lasaga, A.C.; Rye, D.M.

    1999-01-01

    The kinetics of dissolution and precipitation is of central importance to understanding the long-term evolution of fluid flows in crustal environments, with implications for problems as diverse as nuclear waste disposal and crustal evolution. The authors examine the dynamics of such evolution for several geologically relevant permeability distributions (models for en-echelon cracks, an isolated sloping fractured zone, and two sloping high-permeability zones that are close enough together to interact). Although the focus is on a simple quartz matrix system, generic features emerge from this study that can aid in the broader goal of understanding the long-term feedback between flow and chemistry, where dissolution and precipitation is under kinetic control. Examples of thermal convection in a porous medium with spatially variable permeability reveal features of central importance to water-rock interaction. After a transient phase, an accelerated rate of change of porosity may be used with care to decrease computational time, as an alternative to the quasi-stationary state approximation (Lichtner, 1988). Kinetic effects produce features not expected by traditional assumptions made on the basis of equilibrium, for example, that cooling fluids are oversaturated and heating fluids are undersaturated with respect to silicic acid equilibrium. Indeed, the authors observe regions of downwelling oversaturated fluid experiencing heating and regions of upwelling, yet cooling, undersaturated fluid. When oscillatory convection is present, the amplitudes of oscillation generally increase with time in near-surface environments, whereas amplitudes tend to decrease over long times near the heated lower boundary. The authors examine the scaling behavior of characteristic length scales, of terms in the solute equation, and of the typical deviation from equilibrium, each as a function of the kinetic rate parameters.

  17. SU-E-T-626: Accuracy of Dose Calculation Algorithms in MultiPlan Treatment Planning System in Presence of Heterogeneities

    SciTech Connect

    Moignier, C; Huet, C; Barraux, V; Loiseau, C; Sebe-Mercier, K; Batalla, A; Makovicka, L

    2014-06-15

    Purpose: Advanced stereotactic radiotherapy (SRT) treatments require accurate dose calculation for treatment planning especially for treatment sites involving heterogeneous patient anatomy. The purpose of this study was to evaluate the accuracy of dose calculation algorithms, Raytracing and Monte Carlo (MC), implemented in the MultiPlan treatment planning system (TPS) in presence of heterogeneities. Methods: First, the LINAC of a CyberKnife radiotherapy facility was modeled with the PENELOPE MC code. A protocol for the measurement of dose distributions with EBT3 films was established and validated thanks to comparison between experimental dose distributions and calculated dose distributions obtained with MultiPlan Raytracing and MC algorithms as well as with the PENELOPE MC model for treatments planned with the homogenous Easycube phantom. Finally, bones and lungs inserts were used to set up a heterogeneous Easycube phantom. Treatment plans with the 10, 7.5 or the 5 mm field sizes were generated in Multiplan TPS with different tumor localizations (in the lung and at the lung/bone/soft tissue interface). Experimental dose distributions were compared to the PENELOPE MC and Multiplan calculations using the gamma index method. Results: Regarding the experiment in the homogenous phantom, 100% of the points passed for the 3%/3mm tolerance criteria. These criteria include the global error of the method (CT-scan resolution, EBT3 dosimetry, LINAC positionning …), and were used afterwards to estimate the accuracy of the MultiPlan algorithms in heterogeneous media. Comparison of the dose distributions obtained in the heterogeneous phantom is in progress. Conclusion: This work has led to the development of numerical and experimental dosimetric tools for small beam dosimetry. Raytracing and MC algorithms implemented in MultiPlan TPS were evaluated in heterogeneous media.

  18. Effective permeabilities for model heterogeneous porous media

    SciTech Connect

    Otevo, C.; Rusinek, I. ); Saez, A.E. )

    1990-01-01

    This paper presents a technique to evaluate effective absolute permeabilities for heterogeneous porous media. The technique is based on a perturbation analysis of the equations of motion of a slightly compressible fluid in a homogeneous porous medium at low Reynolds numbers. The effective permeabilities can be calculated once the local geometry of the heterogeneous medium is specified. The technique is used to evaluate two- and three-dimensional effective vertical permeabilities in porous media with shale intercalations, including the case in which the porous matrix is anisotropic.

  19. A new approach to account for the medium-dependent effect in model-based dose calculations for kilovoltage x-rays

    NASA Astrophysics Data System (ADS)

    Pawlowski, Jason M.; Ding, George X.

    2011-07-01

    This study presents a new approach to accurately account for the medium-dependent effect in model-based dose calculations for kilovoltage (kV) x-rays. This approach is based on the hypothesis that the correction factors needed to convert dose from model-based dose calculations to absorbed dose-to-medium depend on both the attenuation characteristics of the absorbing media and the changes to the energy spectrum of the incident x-rays as they traverse media with an effective atomic number different than that of water. Using Monte Carlo simulation techniques, we obtained empirical medium-dependent correction factors that take both effects into account. We found that the correction factors can be expressed as a function of a single quantity, called the effective bone depth, which is a measure of the amount of bone that an x-ray beam must penetrate to reach a voxel. Since the effective bone depth can be calculated from volumetric patient CT images, the medium-dependent correction factors can be obtained for model-based dose calculations based on patient CT images. We tested the accuracy of this new approach on 14 patients for the case of calculating imaging dose from kilovoltage cone-beam computed tomography used for patient setup in radiotherapy, and compared it with the Monte Carlo method, which is regarded as the 'gold standard'. For all patients studied, the new approach resulted in mean dose errors of less than 3%. This is in contrast to current available inhomogeneity corrected methods, which have been shown to result in mean errors of up to -103% for bone and 8% for soft tissue. Since there is a huge gain in the calculation speed relative to the Monte Carlo method (~two orders of magnitude) with an acceptable loss of accuracy, this approach provides an alternative accurate dose calculation method for kV x-rays.

  20. Accuracy of dose measurements and calculations within and beyond heterogeneous tissues for 6 MV photon fields smaller than 4 cm produced by Cyberknife

    SciTech Connect

    Wilcox, Ellen E.; Daskalov, George M.

    2008-06-15

    For the small radiation field sizes used in stereotactic radiosurgery, lateral electronic disequilibrium and steep dose gradients exist in a large portion of these fields, requiring the use of high-resolution measurement techniques. These relatively large areas of electronic disequilibrium make accurate dosimetry as well as dose calculation more difficult, and this is exacerbated in regions of tissue heterogeneity. Tissue heterogeneity was considered insignificant in the brain where stereotactic radiosurgery was first used. However, as this technique is expanded to the head and neck and other body sites, dose calculations need to account for dose perturbations in and beyond air cavities, lung, and bone. In a previous study we have evaluated EBT Gafchromic film (International Specialty Products, Wayne, NJ) for dosimetry and characterization of the Cyberknife radiation beams and found that it was comparable to other common detectors used for small photon beams in solid water equivalent phantoms. In the present work EBT film is used to measure dose in heterogeneous slab phantoms containing lung and bone equivalent materials for the 6 MV radiation beams of diameter 7.5 to 40 mm produced by the Cyberknife (Accuray, Sunnyvale, CA). These measurements are compared to calculations done with both the clinically utilized Raytrace algorithm as well as the newly developed Monte Carlo based algorithm available on the Cyberknife treatment planning system. Within the low density material both the measurements and Monte Carlo calculations correctly model the decrease in dose produced by a loss of electronic equilibrium, whereas the Raytrace algorithm incorrectly predicts an enhancement of dose in this region. Beyond the low density material an enhancement of dose is correctly calculated by both algorithms. Within the high density bone heterogeneity the EBT film measurements represent dose to unit density tissue in bone and agree with the Monte Carlo results when corrected to dose

  1. Algorithms used in heterogeneous dose calculations show systematic differences as measured with the Radiological Physics Center’s anthropomorphic thorax phantom used for RTOG credentialing

    PubMed Central

    Kry, Stephen F.; Alvarez, Paola; Molineu, Andrea; Amador, Carrie; Galvin, James; Followill, David S.

    2012-01-01

    Purpose To determine the impact of treatment planning algorithm on the accuracy of heterogeneous dose calculations in the Radiological Physics Center (RPC) thorax phantom. Methods and Materials We retrospectively analyzed the results of 304 irradiations of the RPC thorax phantom at 221 different institutions as part of credentialing for RTOG clinical trials; the irradiations were all done using 6-MV beams. Treatment plans included those for intensity-modulated radiation therapy (IMRT) as well as 3D conformal therapy (3D CRT). Heterogeneous plans were developed using Monte Carlo (MC), convolution/superposition (CS) and the anisotropic analytic algorithm (AAA), as well as pencil beam (PB) algorithms. For each plan and delivery, the absolute dose measured in the center of a lung target was compared to the calculated dose, as was the planar dose in 3 orthogonal planes. The difference between measured and calculated dose was examined as a function of planning algorithm as well as use of IMRT. Results PB algorithms overestimated the dose delivered to the center of the target by 4.9% on average. Surprisingly, CS algorithms and AAA also showed a systematic overestimation of the dose to the center of the target, by 3.7% on average. In contrast, the MC algorithm dose calculations agreed with measurement within 0.6% on average. There was no difference observed between IMRT and 3D CRT calculation accuracy. Conclusion Unexpectedly, advanced treatment planning systems (those using CS and AAA algorithms) overestimated the dose that was delivered to the lung target. This issue requires attention in terms of heterogeneity calculations and potentially in terms of clinical practice. PMID:23237006

  2. Modelling of hydrothermal fluid circulation in a heterogeneous medium: Application to the Rainbow Vent site (Mid-Atlantic-Ridge, 36°14N)

    NASA Astrophysics Data System (ADS)

    Perez, F.; Mügler, C.; Jean-Baptiste, P.; Charlou, J. L.

    2012-04-01

    Hydrothermal activity at the axis of mid-ocean ridges is a key driver for energy and matter transfer from the interior of the Earth to the ocean floor. At mid-ocean ridges, seawater penetrates through the permeable young crust, warms at depth and exchanges chemicals with the surrounding rocks. This hot fluid focuses and flows upwards, then is expelled from the crust at hydrothermal vent sites in the form of black or white smokers completed by diffusive emissions. We developed a new numerical tool in the Cast3M software framework to model such hydrothermal circulations. Thermodynamic properties of one-phase pure water were calculated from the IAPWS formulation. This new numerical tool was validated on several test cases of convection in closed-top and open-top boxes. Simulations of hydrothermal circulation in a homogeneous-permeability porous medium also gave results in good agreement with already published simulations. We used this new numerical tool to construct a geometric and physical model configuration of the Rainbow Vent site at 36°14'N on the Mid-Atlantic Ridge. In this presentation, several configurations will be discussed, showing that high temperatures and high mass fluxes measured at the Rainbow site cannot be modelled with hydrothermal circulation in a homogeneous-permeability porous medium. We will show that these high values require the presence of a fault or a preferential pathway right below the venting site. We will propose and discuss a 2-D one-path model that allows us to simulate both high temperatures and high mass fluxes. This modelling of the hydrothermal circulation at the Rainbow site constitutes a first but necessary step to understand the origin of high concentrations of hydrogen issued from this ultramafic-hosted vent field.

  3. IPR 1.0: an efficient method for calculating solar radiation absorbed by individual plants in sparse heterogeneous woody plant communities

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Chen, W.; Li, J.

    2014-07-01

    Climate change may alter the spatial distribution, composition, structure and functions of plant communities. Transitional zones between biomes, or ecotones, are particularly sensitive to climate change. Ecotones are usually heterogeneous with sparse trees. The dynamics of ecotones are mainly determined by the growth and competition of individual plants in the communities. Therefore it is necessary to calculate the solar radiation absorbed by individual plants in order to understand and predict their responses to climate change. In this study, we developed an individual plant radiation model, IPR (version 1.0), to calculate solar radiation absorbed by individual plants in sparse heterogeneous woody plant communities. The model is developed based on geometrical optical relationships assuming that crowns of woody plants are rectangular boxes with uniform leaf area density. The model calculates the fractions of sunlit and shaded leaf classes and the solar radiation absorbed by each class, including direct radiation from the sun, diffuse radiation from the sky, and scattered radiation from the plant community. The solar radiation received on the ground is also calculated. We tested the model by comparing with the results of random distribution of plants. The tests show that the model results are very close to the averages of the random distributions. This model is efficient in computation, and can be included in vegetation models to simulate long-term transient responses of plant communities to climate change. The code and a user's manual are provided as Supplement of the paper.

  4. IPR 1.0: an efficient method for calculating solar radiation absorbed by individual plants in sparse heterogeneous woody plant communities

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Chen, W.; Li, J.

    2013-12-01

    Climate change may alter the spatial distribution, composition, structure, and functions of plant communities. Transitional zones between biomes, or ecotones, are particularly sensitive to climate change. Ecotones are usually heterogeneous with sparse trees. The dynamics of ecotones are mainly determined by the growth and competition of individual plants in the communities. Therefore it is necessary to calculate solar radiation absorbed by individual plants for understanding and predicting their responses to climate change. In this study, we developed an individual plant radiation model, IPR (version 1.0), to calculate solar radiation absorbed by individual plants in sparse heterogeneous woody plant communities. The model is developed based on geometrical optical relationships assuming crowns of woody plants are rectangular boxes with uniform leaf area density. The model calculates the fractions of sunlit and shaded leaf classes and the solar radiation absorbed by each class, including direct radiation from the sun, diffuse radiation from the sky, and scattered radiation from the plant community. The solar radiation received on the ground is also calculated. We tested the model by comparing with the analytical solutions of random distributions of plants. The tests show that the model results are very close to the averages of the random distributions. This model is efficient in computation, and is suitable for ecological models to simulate long-term transient responses of plant communities to climate change.

  5. Calculation of the absorbed dose and dose equivalent induced by medium energy neutrons and protons and comparison with experiment

    NASA Technical Reports Server (NTRS)

    Armstrong, T. W.; Bishop, B. L.

    1972-01-01

    Monte Carlo calculations have been carried out to determine the absorbed dose and dose equivalent for 592-MeV protons incident on a cylindrical phantom and for neutrons from 580-MeV proton-Be collisions incident on a semi-infinite phantom. For both configurations, the calculated depth dependence of the absorbed dose is in good agreement with experimental data.

  6. Calculating infinite-medium α-eigenvalue spectra with Monte Carlo using a transition rate matrix method

    DOE PAGESBeta

    Betzler, Benjamin R.; Kiedrowski, Brian C.; Brown, Forrest B.; Martin, William R.

    2015-01-01

    The time-dependent behavior of the energy spectrum in neutron transport was investigated with a formulation, based on continuous-time Markov processes, for computing α eigenvalues and eigenvectors in an infinite medium. In this study, a research Monte Carlo code called “TORTE” (To Obtain Real Time Eigenvalues) was created and used to estimate elements of a transition rate matrix. TORTE is capable of using both multigroup and continuous-energy nuclear data, and verification was performed. Eigenvalue spectra for infinite homogeneous mixtures were obtained, and an eigenfunction expansion was used to investigate transient behavior of the neutron energy spectrum.

  7. Calculation of an unsteady moving-boundary flow in a porous medium by the generalized method of integral relations

    NASA Astrophysics Data System (ADS)

    Mustafaev, R. A.

    2008-02-01

    Dorodnicyn's generalized method of integral relations is used to compute a Verigin-type single-phase unsteady flow in a porous medium. This problem describes the pumping of a gas through a gallery in a bounded horizontal aquifer and is associated with underground gas storage in aquifers. The case of an isothermal process and an ideal gas are considered. The viscosity of the gas is neglected. Sines are used as smoothing functions. The results obtained in the first and third approximations are presented and analyzed. The solution is compared with a finite-difference solution and that produced by the method of integral relations. The results are given in a table.

  8. Surface heterogeneity of C{sub 60} as studied by infrared spectroscopy of adsorbed CO and adsorption potential calculations

    SciTech Connect

    Folman, M.; Fastow, M.; Kozirovski, Y.

    1997-03-05

    In our recent investigation of the IR spectrum of CO physically adsorbed on C{sub 60} films, two well-resolved absorption bands at 2135 and 2128 cm{sup -1} were found, suggesting that the molecule is adsorbed on two different sites. To determine the nature of these adsorption sites, calculations of adsorption potentials and spectral shifts for the CO/C{sub 60} system were performed. The calculations were done for the fcc (100), fcc (111) hcp (001), and hcp (111) surface planes. In the calculations the 6-exponential and the Lennard-Jones potentials were used. A number of adsorption sites were chosen. These included the void space between four, three, and two neighboring C{sub 60} molecules and the center of the hexagon and the pentagon on the C{sub 60} surface. The calculated potentials and spectral shifts clearly indicate that adsorption sites in the voids between the C{sub 60} molecules are energetically preferred over sites on top of single C{sub 60} molecules. Comparison is made between results obtained with the two potentials and with results obtained previously with the two other carbon allotropes: graphite and diamond. 11 refs., 4 figs., 3 tabs.

  9. A comparison of measured HONO uptake and release with calculated source strengths in a heterogeneous forest environment

    NASA Astrophysics Data System (ADS)

    Sörgel, M.; Trebs, I.; Wu, D.; Held, A.

    2015-01-01

    Vertical mixing ratio profiles of nitrous acid (HONO) were measured in a clearing and on the forest floor in a rural forest environment. For the forest floor, HONO was found to be predominantly deposited, whereas net deposition was dominating in the clearing only during nighttime and net emissions were observed during daytime. For selected days, net fluxes of HONO were calculated from the measured profiles using the aerodynamic gradient method. The emission fluxes were in the range of 0.02 to 0.07 nmol m-2 s-1, and, thus were in the lower range of previous observations. These fluxes were compared to the strengths of postulated HONO sources. Laboratory measurements of different soil samples from both sites revealed an upper limit for soil biogenic HONO emission fluxes of 0.025 nmol m-2 s-1. HONO formation by light induced NO2 conversion was calculated to be below 0.03 nmol m-2 s-1 for the investigated days, which is comparable to the potential soil fluxes. Due to light saturation at low irradiance, this reaction pathway was largely found to be independent of light intensity, i.e. it was only dependent on ambient NO2. We used three different approaches based on measured leaf nitrate loadings for calculating HONO formation from HNO3 photolysis. While the first two approaches based on empirical HONO formation rates yielded values in the same order of magnitude as the estimated fluxes, the third approach based on available kinetic data of the postulated pathway failed to produce noticeable amounts of HONO. Estimates based on reported cross sections of adsorbed HNO3 indicate that the lifetime of adsorbed HNO3 was only about 15 min, which would imply a substantial renoxification. Although the photolysis of HNO3 was significantly enhanced at the surface, the subsequent light induced conversion of the photolysis product NO2 did not produce considerable amounts of HONO. Consequently, this reaction might occur via an alternative mechanism.

  10. A comparison of measured HONO uptake and release with calculated source strengths in a heterogeneous forest environment

    NASA Astrophysics Data System (ADS)

    Sörgel, M.; Trebs, I.; Wu, D.; Held, A.

    2015-08-01

    Vertical mixing ratio profiles of nitrous acid (HONO) were measured in a clearing and on the forest floor in a rural forest environment. For the forest floor, HONO was found to predominantly deposit, whereas for the clearing, net deposition dominated only during nighttime and net emissions were observed during daytime. For selected days, net fluxes of HONO were calculated from the measured profiles using the aerodynamic gradient method. The emission fluxes were in the range of 0.02 to 0.07 nmol m-2 s-1 and thus were in the lower range of previous observations. These fluxes were compared to the strengths of postulated HONO sources. Laboratory measurements of different soil samples from both sites revealed an upper limit for soil biogenic HONO emission fluxes of 0.025 nmol m-2 s-1. HONO formation by light-induced NO2 conversion was calculated to be below 0.03 nmol m-2 s-1 for the investigated days, which is comparable to the potential soil fluxes. Due to light saturation at low irradiance, this reaction pathway was largely found to be independent of light intensity, i.e. it was only dependent on ambient NO2. We used three different approaches based on measured leaf nitrate loadings for calculating HONO formation from HNO3 photolysis. While the first two approaches based on empirical HONO formation rates yielded values in the same order of magnitude as the estimated fluxes, the third approach based on available kinetic data of the postulated pathway failed to produce noticeable amounts of HONO. Estimates based on reported cross sections of adsorbed HNO3 indicate that the lifetime of adsorbed HNO3 was only about 15 min, which would imply a substantial renoxification. Although the photolysis of HNO3 was significantly enhanced at the surface, the subsequent light-induced conversion of the photolysis product NO2 did not produce considerable amounts of HONO. Consequently, this reaction might occur via an alternative mechanism. By explicitly calculating HONO formation based

  11. A comparison of measured HONO uptake and release with calculated source strengths in a heterogeneous forest environment

    NASA Astrophysics Data System (ADS)

    Sörgel, Matthias; Trebs, Ivonne; Wu, Dianming; Held, Andreas

    2015-04-01

    Vertical mixing ratio profiles of nitrous acid (HONO) were measured in a clearing and on the forest floor in a rural forest environment (in the south-east of Germany) by applying a lift system to move the sampling unit of the LOng Path Absorption Photometer (LOPAP) up and down. For the forest floor, HONO was found to be predominantly deposited, whereas net deposition was dominating in the clearing only during nighttime and net emissions were observed during daytime. For selected days, net fluxes of HONO were calculated from the measured profiles using the aerodynamic gradient method. The emission fluxes were in the range of 0.02 to 0.07 nmol m-2 s-1, and, thus were in the lower range of previous observations. These fluxes were compared to the strengths of postulated HONO sources and to the amount of HONO needed to sustain photolysis in the boundary layer. Laboratory measurements of different soil samples from both sites revealed an upper limit for soil biogenic HONO emission fluxes of 0.025 nmol m-2 s-1. HONO formation by light induced NO2 conversion was calculated to be below 0.03 nmol m-2 s-1 for the investigated days, which is comparable to the potential soil fluxes. Due to light saturation at low irradiance, this reaction pathway was largely found to be independent of light intensity, i.e. it was only dependent on ambient NO2. We used three different approaches based on measured leaf nitrate loadings for calculating HONO formation from HNO3 photolysis. While the first two approaches based on empirical HONO formation rates yielded values in the same order of magnitude as the estimated fluxes, the third approach based on available kinetic data of the postulated pathway failed to produce noticeable amounts of HONO. Estimates based on reported cross sections of adsorbed HNO3 indicate that the lifetime of adsorbed HNO3 was only about 15 min, which would imply a substantial renoxification. Although the photolysis of HNO3 was significantly enhanced at the surface, the

  12. Monte Carlo Calculation of the Response of an External Detector to a Photon Source in the Lungs of a Heterogeneous Phantom.

    Energy Science and Technology Software Center (ESTSC)

    1980-05-19

    FANTOM calculates the response of a 20-cm-diameter phoswich (3 mm NaI(Tl) primary detector) to a source of low energy photons distributed in the lungs of a heterogeneous MIRD phantom, approximating ICRP Reference Man. The program considers the trunk region of the MIRD phantom which is made up of three types of tissues with different densities: skeletal tissue (1.85), lung tissue (0.3) and soft tissue (1). Each organ in the thorax region is described by simplemore » quadratic equations, with respect to a Cartesian coordinate system (X,Y,Z), the origin of which is located at the center of the base of the trunk, with positive Z-axis, Y-axis, and X-axis directed toward the head, posterior, and left side of the phantom, respectively.« less

  13. New Physical Ideas and Method of Description and Calculation of Resistance to Motion of Small Particles in a Gaseous Medium

    NASA Astrophysics Data System (ADS)

    Potekaev, A. I.; Bubenchikov, A. M.; Bubenchikov, M. A.

    2013-05-01

    New ideas and a new approach to the motion of small-including nanosized-particles are presented, resting on basic concepts of the molecular kinetic theory of gases, statistical physics, and classical mechanics. Two new concepts are introduced: the λ-layer and "counter-moving" pairs of molecules. The first makes it possible to limit the number of molecules under consideration and ignore their collisions with each other. The second makes it possible to exclude Brownian motion of the molecules. It is established that the action of potential van der Waals forces is localized in the vicinity of the small particle in such a way that it is possible in the statistical calculations to assume that the trajectories of the molecules consist of line segments and that impact of a molecule is perfectly elastic and equivalent to impact on an "effective particle" with linear dimension 40% higher than the actual diameter of the particle. Good agreement is obtained with the experimental Cunningham-Millikan-Davies (CMD) approximation, and also with extrapolated values of this approximation.

  14. PRPSIM: A FORTRAN code to calculate properties of radio wave propagation in a structured ionized medium. Volume 2: Theory and models

    NASA Astrophysics Data System (ADS)

    Dodson, R. E.; Krueger, D. J.; Guigliano, F. W.

    1989-12-01

    This report describes the PRPSIM (Properties of Radio Wave Propagation in a Structured Ionized Medium) code, a FORTRAN computer program for use in evaluating electromagnetic propagation effects resulting from detonation of nuclear weapons on satellite communications and radar systems. The code uses nuclear environment data files created by the SCENARIO high altitude, multiburst nuclear phenomenology code. PRPSIM calculates propagation effects due to enhanced mean ionization levels (e.g., absorption, noise, refraction, phase shift, Doppler and time delay variations, etc.). The code is written in ANSI FORTRAN-77 and has been installed and run on VAX, CDC/CYBER, ELXSI/EMBOS, and CRAY-1 computer systems. Volume 1 of the report is a user's guide which describes code installation, input, output, structure, and application. Volume 2 describes the underlying propagation effects theory and computational models.

  15. Introduction on background medium theory about celestial body motion orbit and foundation of fractional-dimension calculus about self-similar fractal measure calculation

    NASA Astrophysics Data System (ADS)

    Yan, Kun

    2007-04-01

    In this paper, by discussing the basic hypotheses about the continuous orbit and discrete orbit in two research directions of the background medium theory for celestial body motion, the concrete equation forms and their summary of the theoretic frame of celestial body motion are introduced. Future more, by discussing the general form of Binet's equation of celestial body motion orbit and it's solution of the advance of the perihelion of planets, the relations and differences between the continuous orbit theory and Newton's gravitation theory and Einstein's general relativity are given. And by discussing the fractional-dimension expanded equation for the celestial body motion orbits, the concrete equations and the prophesy data of discrete orbit or stable orbits of celestial bodies which included the planets in the Solar system, satellites in the Uranian system, satellites in the Earth system and satellites obtaining the Moon obtaining from discrete orbit theory are given too. Especially, as the preliminary exploration and inference to the gravitation curve of celestial bodies in broadly range, the concept for the ideal black hole with trend to infinite in mass density difficult to be formed by gravitation only is explored. By discussing the position hypothesis of fractional-dimension derivative about general function and the formula form the hypothesis of fractional-dimension derivative about power function, the concrete equation formulas of fractional-dimension derivative, differential and integral are described distinctly further, and the difference between the fractional-dimension derivative and the fractional-order derivative are given too. Subsequently, the concrete forms of measure calculation equations of self-similar fractal obtaining by based on the definition of form in fractional-dimension calculus about general fractal measure are discussed again, and the differences with Hausdorff measure method or the covering method at present are given. By applying

  16. Assessing Source Zone Mass Depletion in Heterogeneous Media: Application of a Multi-Rate-Mass-Transfer Approach Based on a Geostatistical Medium Description

    NASA Astrophysics Data System (ADS)

    Elenius, M. T.; Miller, E. L.; Abriola, L. M.

    2014-12-01

    Chlorinated solvents tend to persist for long periods in heterogeneous porous media, in part due to sustained sources of contaminant sequestered in lower permeability zones and sorbed to the soil matrix. Sharp contrasts in soil properties have been modeled successfully using Markov Chain / Transition Probability (MC/TP) methods. This statistical approach provides a means of generating permeability fields that are consistent with prior knowledge concerning the frequency and relative positioning of different strata.To assess source zone mass depletion in a suite of such geological realizations, the large computational burden may prohibit the use of direct numerical simulations. One alternative approach is the application of a multi-rate-mass-transfer (MRMT) method, an extension of the dual-domain concept that was first developed in the soil science literature for sorption modeling. In MRMT, rather than discretizing immobile regions, such as clay layers, the concentration in these regions is treated by explicit state variables, and the transport between mobile and immobile regions is modeled by first-order exchange terms. However, in the implementation of this approach, fine-scale simulations on subdomains are often necessary to develop appropriate parameters. Such simulations are tedious, especially when attempting to account for uncertainty in the geological description. In this work, the link between characteristics of MC/TP and transfer parameters in the MRMT is evaluated by regression based on fine-scale simulations, using the simulator MODFLOW/MT3DMS. Upscaled simulation results are obtained with the same simulator, linked to an MRMT module. The results facilitate efficient assessment of reactive transport in domains with sharp contrasts in soil properties and limit the need for fine-scale numerical simulations.

  17. Deformed shell model calculations of half lives for β+/EC decay and 2ν β+β+/β+EC/ECEC decay in medium-heavy N~Z nuclei

    NASA Astrophysics Data System (ADS)

    Mishra, S.; Shukla, A.; Sahu, R.; Kota, V. K. B.

    2008-08-01

    The β+/EC half-lives of medium heavy N~Z nuclei with mass number A~64-80 are calculated within the deformed shell model (DSM) based on Hartree-Fock states by employing a modified Kuo interaction in (2p3/2,1f5/2,2p1/2,1g9/2) space. The DSM model has been quite successful in predicting many spectroscopic properties of N~Z medium heavy nuclei with A~64-80. The calculated β+/EC half-lives, for prolate and oblate shapes, compare well with the predictions of the calculations with Skyrme force by Sarriguren Going further, following recent searches, half-lives for 2ν β+β+/β+EC/ECEC decay for the nucleus Kr78 are calculated using DSM and the results compare well with QRPA predictions.

  18. Anisotropic and heterogeneous mechanical properties of a stratified shale/limestone sequence at Nash Point, South Wales: A case study for hydraulic fracture propagation through a layered medium

    NASA Astrophysics Data System (ADS)

    Forbes Inskip, Nathaniel; Meredith, Philip; Gudmundsson, Agust

    2016-04-01

    While considerable effort has been expended on the study of fracture propagation in rocks in recent years, our understanding of how fractures propagate through layered sedimentary rocks with different mechanical and elastic properties remains poorly constrained. Yet this is a key issue controlling the propagation of both natural and anthropogenic hydraulic fractures in layered sequences. Here we report measurements of the contrasting mechanical and elastic properties of the Lower Lias at Nash Point, South Wales, which comprises an interbedded sequence of shale and limestone layers, and how those properties may influence fracture propagation. Elastic properties of both materials have been characterised via ultrasonic wave velocity measurements as a function of azimuth on samples cored both normal and parallel to bedding. The shale is highly anisotropic, with P-wave velocities varying from 2231 to 3890 m s-1, giving an anisotropy of ~55%. By contrast, the limestone is essentially isotropic, with a mean P-wave velocity of 5828 m s-1 and an anisotropy of ~2%. The dynamic Young's modulus of the shale, calculated from P- and S-wave velocity data, is also anisotropic with a value of 36 GPa parallel to bedding and 12 GPa normal to bedding. The modulus of the limestone is again isotropic with a value of 80 GPa. It follows that for a vertical fracture propagating (i.e. normal to bedding) the modulus contrast is 6.6. This is important because the contrast in elastic properties is a key factor in controlling whether fractures arrest, deflect, or propagate across interfaces between layers in a sequence. There are three principal mechanisms by which a fracture may deflect across or along an interface, namely: Cook-Gordon debonding, stress barrier, and elastic mismatch. Preliminary numerical modelling results (using a Finite Element Modelling software) of induced fractures at Nash Point suggest that all three are important. The results demonstrate a rotation of the maximum

  19. Thermal properties of heterogeneous grains

    NASA Technical Reports Server (NTRS)

    Lien, David J.

    1988-01-01

    Cometary dust is not spherical nor homogeneous, yet these are the assumptions used to model its thermal, optical, and dynamical properties. To better understand the effects of heterogeneity on the thermal and optical properties of dust grains, the effective dielectric constant for an admixture of magnetite and a silicate were calculated using two different effective medium theories: the Maxwell-Garnett theory and the Bruggeman theory. In concept, the MG theory describes the effective dielectric constant of a matrix material into which is embedded a large number of very small inclusions of a second material. The Bruggeman theory describes the dielectric constant of a well mixed aggregate of two or more types of materials. Both theories assume that the individual particles are much smaller than the wavelength of the incident radiation. The refractivity for a heterogeneous grain using the MG theory is very similar to the refractivity of the matrix material, even for large volume fractions of the inclusion. The equilibrium grain temperature for spherical particles sized from .001 to 100 microns in radius at 1 astronomical unit from the sun was calculated. Further explanation is given.

  20. A dosimetric study of a heterogeneous phantom for lung stereotactic body radiation therapy comparing Monte Carlo and pencil beam calculations to dose distributions measured with a 2-D diode array

    NASA Astrophysics Data System (ADS)

    Curley, Casey Michael

    Monte Carlo (MC) and Pencil Beam (PB) calculations are compared to their measured planar dose distributions using a 2-D diode array for lung Stereotactic Body Radiation Therapy (SBRT). The planar dose distributions were studied for two different phantom types: an in-house heterogeneous phantom and a homogeneous phantom. The motivation is to mimic the human anatomy during a lung SBRT treatment and incorporate heterogeneities into the pre-treatment Quality Assurance process, where measured and calculated planar dose distributions are compared before the radiation treatment. Individual and combined field dosimetry has been performed for both fixed gantry angle (anterior to posterior) and planned gantry angle delivery. A gamma analysis has been performed for all beam arrangements. The measurements were obtained using the 2-D diode array MapCHECK 2(TM). MC and PB calculations were performed using the BrainLAB iPlan RTRTM Dose software. The results suggest that with the heterogeneous phantom as a quality assurance device, the MC calculations result in closer agreements to the measured values, when using the planned gantry angle delivery method for composite beams. For the homogeneous phantom, the results suggest that the preferred delivery method is at the fixed anterior to posterior gantry angle. Furthermore, the MC and PB calculations do not show significant differences for dose difference and distance to agreement criteria 3%/3mm. However, PB calculations are in better agreement with the measured values for more stringent gamma criteria when considering individual beam whereas MC agreements are closer for composite beam measurements.

  1. Power and Sample Size Calculations for Testing Linear Combinations of Group Means under Variance Heterogeneity with Applications to Meta and Moderation Analyses

    ERIC Educational Resources Information Center

    Shieh, Gwowen; Jan, Show-Li

    2015-01-01

    The general formulation of a linear combination of population means permits a wide range of research questions to be tested within the context of ANOVA. However, it has been stressed in many research areas that the homogeneous variances assumption is frequently violated. To accommodate the heterogeneity of variance structure, the…

  2. Optimization of permanent breast seed implant dosimetry incorporating tissue heterogeneity

    NASA Astrophysics Data System (ADS)

    Mashouf, Shahram

    Seed brachytherapy is currently used for adjuvant radiotherapy of early stage prostate and breast cancer patients. The current standard for calculation of dose around brachytherapy sources is based on the AAPM TG43 formalism, which generates the dose in homogeneous water medium. Recently, AAPM task group no. 186 (TG186) emphasized the importance of accounting for heterogeneities. In this work we introduce an analytical dose calculation algorithm in heterogeneous media using CT images. The advantages over other methods are computational efficiency and the ease of integration into clinical use. An Inhomogeneity Correction Factor (ICF) is introduced as the ratio of absorbed dose in tissue to that in water medium. ICF is a function of tissue properties and independent of the source structure. The ICF is extracted using CT images and the absorbed dose in tissue can then be calculated by multiplying the dose as calculated by the TG43 formalism times ICF. To evaluate the methodology, we compared our results with Monte Carlo simulations as well as experiments in phantoms with known density and atomic compositions. The dose distributions obtained through applying ICF to TG43 protocol agreed very well with those of Monte Carlo simulations and experiments in all phantoms. In all cases, the mean relative error was reduced by at least a factor of two when ICF correction factor was applied to the TG43 protocol. In conclusion we have developed a new analytical dose calculation method, which enables personalized dose calculations in heterogeneous media using CT images. The methodology offers several advantages including the use of standard TG43 formalism, fast calculation time and extraction of the ICF parameters directly from Hounsfield Units. The methodology was implemented into our clinical treatment planning system where a cohort of 140 patients were processed to study the clinical benefits of a heterogeneity corrected dose.

  3. Relativistic configuration-interaction calculations of electric dipole n=2−n=3 transitions for medium-charge Li-like ions

    SciTech Connect

    Deng, Banglin; Jiang, Gang; Zhang, Chuanyu

    2014-09-15

    In this work, the multi-configuration Dirac–Fock and relativistic configuration-interaction methods have been used to calculate the transition wavelengths, electric dipole transition probabilities, line strengths, and absorption oscillator strengths for the 2s–3p, 2p–3s, and 2p–3d transitions in Li-like ions with nuclear charge Z=7–30. Our calculated values are in good agreement with previous experimental and theoretical results. We took the contributions from Breit interaction, finite nuclear mass corrections, and quantum electrodynamics corrections to the initial and final levels into account, and also found that the contributions from Breit interaction, self-energy, and vacuum polarization grow fast with increasing nuclear charge for a fixed configuration. The ratio of the velocity to length form of the transition rate (A{sub v}/A{sub l}) was used to estimate the accuracy of our calculations.

  4. Homogenization of Heterogeneous Elastic Materials with Applications to Seismic Anisotropy

    NASA Astrophysics Data System (ADS)

    Vel, S. S.; Johnson, S. E.; Okaya, D. A.; Cook, A. C.

    2014-12-01

    The velocities of seismic waves passing through a complex Earth volume can be influenced by heterogeneities at length scales shorter than the seismic wavelength. As such, seismic wave propagation analyses can be performed by replacing the actual Earth volume by a homogeneous i.e., "effective", elastic medium. Homogenization refers to the process by which the elastic stiffness tensor of the effective medium is "averaged" from the elastic properties, orientations, modal proportions and spatial distributions of the finer heterogeneities. When computing the homogenized properties of a heterogeneous material, the goal is to compute an effective or bulk elastic stiffness tensor that relates the average stresses to the average strains in the material. Tensor averaging schemes such as the Voigt and Reuss methods are based on certain simplifying assumptions. The Voigt method assumes spatially uniform strains while the Reuss method assumes spatially uniform stresses within the heterogeneous material. Although they are both physically unrealistic, they provide upper and lower bounds for the actual homogenized elastic stiffness tensor. In order to more precisely determine the homogenized stiffness tensor, the stress and strain distributions must be computed by solving the three-dimensional equations of elasticity over the heterogeneous region. Asymptotic expansion homogenization (AEH) is one such structure-based approach for the comprehensive micromechanical analysis of heterogeneous materials. Unlike modal volume methods, the AEH method takes into account how geometrical orientation and alignment can increase elastic stiffness in certain directions. We use the AEH method in conjunction with finite element analysis to calculate the bulk elastic stiffnesses of heterogeneous materials. In our presentation, wave speeds computed using the AEH method are compared with those generated using stiffness tensors derived from commonly-used analytical estimates. The method is illustrated

  5. Evaluating foam heterogeneity

    NASA Technical Reports Server (NTRS)

    Liou, D. W.; Lee, W. M.

    1972-01-01

    New analytical tool is available to calculate the degree of foam heterogeneity based on the measurement of gas diffusivity values. Diffusion characteristics of plastic foam are described by a system of differential equations based on conventional diffusion theory. This approach saves research and computation time in studying mass or heat diffusion problems.

  6. Heterogeneous Catalysis.

    ERIC Educational Resources Information Center

    Miranda, R.

    1989-01-01

    Described is a heterogeneous catalysis course which has elements of materials processing embedded in the classical format of catalytic mechanisms and surface chemistry. A course outline and list of examples of recent review papers written by students are provided. (MVL)

  7. Validation of updated neutronic calculation models proposed for Atucha-II PHWR. Part II: Benchmark comparisons of PUMA core parameters with MCNP5 and improvements due to a simple cell heterogeneity correction

    SciTech Connect

    Grant, C.; Mollerach, R.; Leszczynski, F.; Serra, O.; Marconi, J.; Fink, J.

    2006-07-01

    In 2005 the Argentine Government took the decision to complete the construction of the Atucha-II nuclear power plant, which has been progressing slowly during the last ten years. Atucha-II is a 745 MWe nuclear station moderated and cooled with heavy water, of German (Siemens) design located in Argentina. It has a pressure vessel design with 451 vertical coolant channels and the fuel assemblies (FA) are clusters of 37 natural UO{sub 2} rods with an active length of 530 cm. For the reactor physics area, a revision and update of reactor physics calculation methods and models was recently carried out covering cell, supercell (control rod) and core calculations. This paper presents benchmark comparisons of core parameters of a slightly idealized model of the Atucha-I core obtained with the PUMA reactor code with MCNP5. The Atucha-I core was selected because it is smaller, similar from a neutronic point of view, more symmetric than Atucha-II, and has some experimental data available. To validate the new models benchmark comparisons of k-effective, channel power and axial power distributions obtained with PUMA and MCNP5 have been performed. In addition, a simple cell heterogeneity correction recently introduced in PUMA is presented, which improves significantly the agreement of calculated channel powers with MCNP5. To complete the validation, the calculation of some of the critical configurations of the Atucha-I reactor measured during the experiments performed at first criticality is also presented. (authors)

  8. Increasing the Thermal Conductivity of Graphene-Polyamide-6,6 Nanocomposites by Surface-Grafted Polymer Chains: Calculation with Molecular Dynamics and Effective-Medium Approximation.

    PubMed

    Gao, Yangyang; Müller-Plathe, Florian

    2016-02-25

    By employing reverse nonequilibrium molecular dynamics simulations in a full atomistic resolution, the effect of surface-grafted chains on the thermal conductivity of graphene-polyamide-6.6 (PA) nanocomposites has been investigated. The interfacial thermal conductivity perpendicular to the graphene plane is proportional to the grafting density, while it first increases and then saturates with the grafting length. Meanwhile, the intrinsic in-plane thermal conductivity of graphene drops sharply as the grafting density increases. The maximum overall thermal conductivity of nanocomposites appears at an intermediate grafting density because of these two competing effects. The thermal conductivity of the composite parallel to the graphene plane increases with the grafting density and grafting length which is attributed to better interfacial coupling between graphene and PA. There exists an optimal balance between grafting density and grafting length to obtain the highest interfacial and parallel thermal conductivity. Two empirical formulas are suggested, which quantitatively account for the effects of grafting length and density on the interfacial and parallel thermal conductivity. Combined with effective medium approximation, for ungrafted graphene in random orientation, the model overestimates the thermal conductivity at low graphene volume fraction (f < 10%) compared with experiments, while it underestimates it at high graphene volume fraction (f > 10%). For unoriented grafted graphene, the model matches the experimental results well. In short, this work provides some valuable guides to obtain the nanocomposites with high thermal conductivity by grafting chain on the surface of graphene. PMID:26800434

  9. Calculation of ultrasonic fields radiated in a ferromagnetic medium by an EMAT of arbitrary bias field driven by a current of arbitrary intensity

    SciTech Connect

    Rouge, C.; Lhémery, A.; Aristégui, C.; Walaszek, H.

    2014-02-18

    ElectroMagnetic Acoustic Transducers (EMATs) are contactless transducers generating ultrasonic waves in conductive media, notably shear horizontal and torsional waves (in plates and pipes, respectively), possibly in hostile environments. In a ferromagnetic part, the elastic strain and the magnetic field couple through magnetostriction phenomena, so that a magnetostriction and magnetization forces add up to the Lorentz force created in any conductive medium. Here, a model is proposed to predict these forces for an arbitrary bias field due to the EMAT permanent magnet and whatever the current intensity in its electric circuit, whereas the usual assumption of high bias field and low intensity current leads to important model simplifications. To handle the nonlinear behavior of all the three forces when the usual assumption cannot be made, forces are expressed in the time domain. In particular, magnetostriction force generates waves at several harmonic frequencies of the driving current frequency. Forces are then transformed into equivalent surface stresses readily usable as source terms in existing models of ultrasonic radiation, under the assumption that ultrasonic wavelengths are much longer than force penetration depths, (which is generally true in NDT applications of EMATs). Force spectra computed in various EMAT configurations are compared for illustration.

  10. Calculation of ultrasonic fields radiated in a ferromagnetic medium by an EMAT of arbitrary bias field driven by a current of arbitrary intensity

    NASA Astrophysics Data System (ADS)

    Rouge, C.; Lhémery, A.; Aristégui, C.; Walaszek, H.

    2014-02-01

    ElectroMagnetic Acoustic Transducers (EMATs) are contactless transducers generating ultrasonic waves in conductive media, notably shear horizontal and torsional waves (in plates and pipes, respectively), possibly in hostile environments. In a ferromagnetic part, the elastic strain and the magnetic field couple through magnetostriction phenomena, so that a magnetostriction and magnetization forces add up to the Lorentz force created in any conductive medium. Here, a model is proposed to predict these forces for an arbitrary bias field due to the EMAT permanent magnet and whatever the current intensity in its electric circuit, whereas the usual assumption of high bias field and low intensity current leads to important model simplifications. To handle the nonlinear behavior of all the three forces when the usual assumption cannot be made, forces are expressed in the time domain. In particular, magnetostriction force generates waves at several harmonic frequencies of the driving current frequency. Forces are then transformed into equivalent surface stresses readily usable as source terms in existing models of ultrasonic radiation, under the assumption that ultrasonic wavelengths are much longer than force penetration depths, (which is generally true in NDT applications of EMATs). Force spectra computed in various EMAT configurations are compared for illustration.

  11. Validation of GEANT4 simulations for percentage depth dose calculations in heterogeneous media by using small photon beams from the 6-MV Cyberknife: Comparison with photon beam dosimetry with EBT2 film

    NASA Astrophysics Data System (ADS)

    Lee, Chung Il; Yoon, Sei-Chul; Shin, Jae Won; Hong, Seung-Woo; Suh, Tae Suk; Min, Kyung Joo; Lee, Sang Deok; Chung, Su Mi; Jung, Jae-Yong

    2015-04-01

    Percentage depth dose (PDD) distributions in heterogeneous phantoms with lung and soft bone equivalent media are studied by using the GEANT4 Monte Carlo code. For lung equivalent media, Balsa wood is used, and for soft bone equivalent media, a compound material with epoxy resin, hardener and calcium carbonate is used. Polystyrene slabs put together with these materials are used as a heterogeneous phantom. Dose measurements are performed with Gafchromic EBT2 film by using photon beams from the 6-MV CyberKnife at the Seoul Uridul Hospital. The cone sizes of the photon beams are varied from 5 to 10 to 30 mm. When the Balsa wood is inserted in the phantom, the dose measured with EBT2 film is found to be significantly different from the dose without the EBT2 film in and the dose beyond the Balsa wood region, particularly for small field sizes. On the other hand, when the soft bone equivalent material is inserted in the phantom, the discrepancy between the dose measured with EBT2 film and the dose without EBT2 film can be seen only in the region of the soft bone equivalent material. GEANT4 simulations are done with and without the EBT2 film to compare the simulation results with measurements. The GEANT4 simulations including EBT2 film are found to agree well with the measurements for all the cases within an error of 2.2%. The results of the present study show that GEANT4 gives reasonable results for the PDD calculations in heterogeneous media when using photon beams produced by the 6-MV CyberKnife

  12. Ab initio calculations in heterogeneous and homogeneous catalysis: I. Methanol to gasoline with ZSM-5. II. Carbonyl ligand effects on metal-metal bonds

    SciTech Connect

    Miller, A.E.

    1993-01-01

    This thesis is composed of two studies in catalysis. The first is an exploration, using computational techniques, of the mechanism for the first carbon-carbon bond formation in the methanol to gasoline (MTG) reaction. The second is a study of the factors important to the understanding of ligand effects on metal-metal bonds, and in particular, to metal clusters. Three possibilities were considered as ways to activate a carbon in the MTG process prior to formation of C2 or higher hydrocarbons. These were a free radical mechanism, a surface ylide mechanism, and a possible defect site which might lead to steric crowding of CH[sub 2] groups. Although the free radical mechanism was found to be thermodynamically within the parameters of the MTG process, it contained a high transition state. Consideration of the molecules available prior to hydrocarbon build-up and their specific electronic structure, led to the view that the available carbon atoms (methanol, dimethyl ether, etc.) were unlikely to be activated by a free radical intermediate. The surface-stabilized ylide which has been proposed as an intermediate by many was studied to determine if in fact the ylide was stabilized. The total energy of the ylide was compared to that of the naked site on the zeolite and free methylene. Free methylene ranged, depending on the geometry of the ylide, between 50 and 80 kcal more stable. These numbers are qualitatively correct, but more electron correlation would have to be incorporated in the calculation to get an accurate value for the destabilization. Starting from a defect site, two CH[sub 2] groups were each attached to two oxygen atoms. It was thought that two CH[sub 2] groups would take up considerably more space than either than original Al atom or the four hydrogens. Molecular Mechanics calculations showed the zeolite to be sufficiently flexible to prevent crowding of the CH[sub 2]'s.

  13. Calculation of the geometrical three-point parameter constant appearing in the second order accurate effective medium theory expression for the B-term diffusion coefficient in fully porous and porous-shell random sphere packings.

    PubMed

    Deridder, Sander; Desmet, Gert

    2012-02-01

    Using computational fluid dynamics (CFD), the effective B-term diffusion constant γ(eff) has been calculated for four different random sphere packings with different particle size distributions and packing geometries. Both fully porous and porous-shell sphere packings are considered. The obtained γ(eff)-values have subsequently been used to determine the value of the three-point geometrical constant (ζ₂) appearing in the 2nd-order accurate effective medium theory expression for γ(eff). It was found that, whereas the 1st-order accurate effective medium theory expression is accurate to within 5% over most part of the retention factor range, the 2nd-order accurate expression is accurate to within 1% when calculated with the best-fit ζ₂-value. Depending on the exact microscopic geometry, the best-fit ζ₂-values typically lie in the range of 0.20-0.30, holding over the entire range of intra-particle diffusion coefficients typically encountered for small molecules (0.1 ≤ D(pz)/D(m) ≤ 0.5). These values are in agreement with the ζ₂-value proposed by Thovert et al. for the random packing they considered. PMID:22236565

  14. Some Phthalocyanine and Naphthalocyanine Derivatives as Corrosion Inhibitors for Aluminium in Acidic Medium: Experimental, Quantum Chemical Calculations, QSAR Studies and Synergistic Effect of Iodide Ions.

    PubMed

    Dibetsoe, Masego; Olasunkanmi, Lukman O; Fayemi, Omolola E; Yesudass, Sasikumar; Ramaganthan, Baskar; Bahadur, Indra; Adekunle, Abolanle S; Kabanda, Mwadham M; Ebenso, Eno E

    2015-01-01

    The effects of seven macrocyclic compounds comprising four phthalocyanines (Pcs) namely 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (Pc1), 2,3,9,10,16,17,23,24-octakis(octyloxy)-29H,31H-phthalocyanine (Pc2), 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (Pc3) and 29H,31H-phthalocyanine (Pc4), and three naphthalocyanines namely 5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine (nPc1), 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (nPc2) and 2,3-naphthalocyanine (nP3) were investigated on the corrosion of aluminium (Al) in 1 M HCl using a gravimetric method, potentiodynamic polarization technique, quantum chemical calculations and quantitative structure activity relationship (QSAR). Synergistic effects of KI on the corrosion inhibition properties of the compounds were also investigated. All the studied compounds showed appreciable inhibition efficiencies, which decrease with increasing temperature from 30 °C to 70 °C. At each concentration of the inhibitor, addition of 0.1% KI increased the inhibition efficiency compared to the absence of KI indicating the occurrence of synergistic interactions between the studied molecules and I(-) ions. From the potentiodynamic polarization studies, the studied Pcs and nPcs are mixed type corrosion inhibitors both without and with addition of KI. The adsorption of the studied molecules on Al surface obeys the Langmuir adsorption isotherm, while the thermodynamic and kinetic parameters revealed that the adsorption of the studied compounds on Al surface is spontaneous and involves competitive physisorption and chemisorption mechanisms. The experimental results revealed the aggregated interactions between the inhibitor molecules and the results further indicated that the peripheral groups on the compounds affect these interactions. The calculated quantum chemical parameters and the QSAR results revealed the possibility of strong interactions between the studied inhibitors and metal surface. QSAR analysis on the

  15. Calculating core-level excitations and X-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator.

    PubMed

    Wenzel, Jan; Wormit, Michael; Dreuw, Andreas

    2014-10-01

    Core-level excitations are generated by absorption of high-energy radiation such as X-rays. To describe these energetically high-lying excited states theoretically, we have implemented a variant of the algebraic-diagrammatic construction scheme of second-order ADC(2) by applying the core-valence separation (CVS) approximation to the ADC(2) working equations. Besides excitation energies, the CVS-ADC(2) method also provides access to properties of core-excited states, thereby allowing for the calculation of X-ray absorption spectra. To demonstrate the potential of our implementation of CVS-ADC(2), we have chosen medium-sized molecules as examples that have either biological importance or find application in organic electronics. The calculated results of CVS-ADC(2) are compared with standard TD-DFT/B3LYP values and experimental data. In particular, the extended variant, CVS-ADC(2)-x, provides the most accurate results, and the agreement between the calculated values and experiment is remarkable. PMID:25130619

  16. Molecular Dynamics Simulations for Neutrino Scattering in Heterogeneous High Dense Media

    SciTech Connect

    Caballero, O. L.

    2008-03-13

    The dynamics of core-collapse supernovae is sensitive to neutrino scattering. Using molecular dynamics simulations, we calculated ion static structure factors and neutrino mean free paths. We simulated the stellar medium as composed in one case by single ion specie, and in the other by a mixture of ions. For the heterogeneous plasma we used two different models and systematically found the neutrino mean free path is shorter for an ion mixture.

  17. Stabilization of three-dimensional scroll waves and suppression of spatiotemporal chaos by heterogeneities.

    PubMed

    Spreckelsen, Florian; Hornung, Daniel; Steinbock, Oliver; Parlitz, Ulrich; Luther, Stefan

    2015-10-01

    Scroll waves in a three-dimensional medium with negative filament tension may break up and display spatiotemporal chaos. The presence of heterogeneities can influence the evolution of the medium, in particular scroll waves may pin to such heterogeneities. We show that as a result the medium may be stabilized by heterogeneities of a suitably chosen geometry. Thin rodlike heterogeneities suppress otherwise developing spatiotemporal chaos and additionally clear out already existing chaotic excitation patterns. PMID:26565317

  18. The imprint of crustal density heterogeneities on seismic wave propagation

    NASA Astrophysics Data System (ADS)

    Plonka, A.; Fichtner, A.

    2015-12-01

    We present the results of a set of numerical experiments designed to observe the imprint of three-dimensional density heterogeneities on a seismogram. To compute the full seismic wavefield in a three-dimensional heterogeneous medium, we use numerical wave propagation based on a spectral-element discretization of the seismic wave equation. We consider a 2000 by 1000 km wide and 500 km deep spherical section, with the one-dimensional Earth model PREM, altered so that the crust is 40 km thick and all the parameters in the crust are constant, as a background. Onto the uppermost 40 km of the underlying one-dimensional model we superimpose three-dimensional randomly generated velocity and density heterogeneities of various correlation lengths. We use different random realizations of heterogeneity distribution. We compare the synthetic seismograms for three-dimensional velocity and density structure with three-dimensional velocity structure and one-dimensional density kept as PREM, calculating relative amplitude differences and time shifts as functions of time and frequency. The misfits in time shift and amplitude for different frequency bands, epicentral distances and medium complexities are then stacked into histograms and statistically analysed. We observe strong dependency on frequency of density-related amplitude difference. We also conclude potential sensitivity to distant density structures, and that scattering is essential to observe significant density imprint on a seismogram. The possible density-related bias in velocity and attenuation for regional tomographic models is calculated using mean misfit values for given epicentral distances. Whereas the bias in velocity does not exceed 0.5% of the model value, the density-related change in attenuation may be as big as 71% of the model value for the mean amplitude difference in the highest frequency band. The results suggest that density imprint on a seismogram is not negligible and with further theoretical

  19. The impact of density heterogeneities on seismic wave propagation

    NASA Astrophysics Data System (ADS)

    Płonka, Agnieszka; Fichtner, Andreas

    2014-05-01

    Using 3D numerical simulations of seismic wave propagation in heterogeneous media, we systematically compare the imprints of heterogeneities of different type (and particularly density heterogeneities) on synthetic seismograms. Lateral density variations are the source of mass transport in the Earth at all scales, acting as drivers of convective motion in the mantle. However, the density structure of the Earth remains largely unknown since classic seismic observables and gravity provide only weak constraints with strong trade-offs. Current density models are therefore often based on velocity scaling, making strong assumptions on the origin of structural heterogeneities, which may not necessarily be true. We propose to develop a seismic tomography technique that directly inverts for density, using complete seismograms rather than arrival times of certain waves only. The first task in this challenge is to systematically study the imprints of density on synthetic seismograms. In this context, our study aims to compare the significance of density heterogeneities relative to velocity heterogeneities, and to design a numerical experiment with a source-receiver configuration particularly sensitive to density. To compute the full seismic wavefield in a 3D heterogeneous medium without making significant approximations, we use numerical wave propagation based on a spectral-element discretization of the seismic wave equation. We consider a 2000 by 1000 km wide and 500 km deep spherical section, with the 1D Earth model ak135 as a background. Onto this we superimpose 3D Gaussian-shaped perturbations of different type (P, SV, SH velocities and density) for depths in the range from 10 km to 70 km. The choice of depth in which the 3D heterogeneities were placed (10 km - 70 km) was dictated by the surface wave sensitivity to density. For each depth we perform 4 wave propagation simulations corresponding to 4 different types of heterogeneities, and calculate surface wave sensitivity

  20. Percolation and permeability of heterogeneous fracture networks

    NASA Astrophysics Data System (ADS)

    Adler, Pierre; Mourzenko, Valeri; Thovert, Jean-François

    2013-04-01

    Natural fracture fields are almost necessarily heterogeneous with a fracture density varying with space. Two classes of variations are quite frequent. In the first one, the fracture density is decreasing from a given surface; the fracture density is usually (but not always see [1]) an exponential function of depth as it has been shown by many measurements. Another important example of such an exponential decrease consists of the Excavated Damaged Zone (EDZ) which is created by the excavation process of a gallery [2,3]. In the second one, the fracture density undergoes some local random variations around an average value. This presentation is mostly focused on the first class and numerical samples are generated with an exponentially decreasing density from a given plane surface. Their percolation status and hydraulic transmissivity can be calculated by the numerical codes which are detailed in [4]. Percolation is determined by a pseudo diffusion algorithm. Flow determination necessitates the meshing of the fracture networks and the discretisation of the Darcy equation by a finite volume technique; the resulting linear system is solved by a conjugate gradient algorithm. Only the flow properties of the EDZ along the directions which are parallel to the wall are of interest when a pressure gradient parallel to the wall is applied. The transmissivity T which relates the total flow rate per unit width Q along the wall through the whole fractured medium to the pressure gradient grad p, is defined by Q = - T grad p/mu where mu is the fluid viscosity. The percolation status and hydraulic transmissivity are systematically determined for a wide range of decay lengths and anisotropy parameters. They can be modeled by comparison with anisotropic fracture networks with a constant density. A heuristic power-law model is proposed which accurately describes the results for the percolation threshold over the whole investigated range of heterogeneity and anisotropy. Then, the data

  1. Reaction Selectivity in Heterogeneous Catalysis

    SciTech Connect

    Somorjai, Gabor A.; Kliewer, Christopher J.

    2009-02-02

    The understanding of selectivity in heterogeneous catalysis is of paramount importance to our society today. In this review we outline the current state of the art in research on selectivity in heterogeneous catalysis. Current in-situ surface science techniques have revealed several important features of catalytic selectivity. Sum frequency generation vibrational spectroscopy has shown us the importance of understanding the reaction intermediates and mechanism of a heterogeneous reaction, and can readily yield information as to the effect of temperature, pressure, catalyst geometry, surface promoters, and catalyst composition on the reaction mechanism. DFT calculations are quickly approaching the ability to assist in the interpretation of observed surface spectra, thereby making surface spectroscopy an even more powerful tool. HP-STM has revealed three vitally important parameters in heterogeneous selectivity: adsorbate mobility, catalyst mobility, and selective site-blocking. The development of size controlled nanoparticles from 0.8 to 10 nm, of controlled shape, and of controlled bimetallic composition has revealed several important variables for catalytic selectivity. Lastly, DFT calculations may be paving the way to guiding the composition choice for multi-metallic heterogeneous catalysis for the intelligent design of catalysts incorporating the many factors of selectivity we have learned.

  2. Dispersivity in heterogeneous permeable media

    SciTech Connect

    Chesnut, D.A.

    1994-01-01

    When one fluid displaces another through a one-dimensional porous medium, the composition changes from pure displacing fluid at the inlet to pure displaced fluid some distance downstream. The distance over which an arbitrary percentage of this change occurs is defined as the mixing zone length, which increases with increasing average distance traveled by the displacement front. For continuous injection, the mixing zone size can be determined from a breakthrough curve as the time required for the effluent displacing fluid concentration to change from, say, 10% to 90%. In classical dispersion theory, the mixing zone grows in proportion to the square root of the mean distance traveled, or, equivalently, to the square root of the mean breakthrough time. In a multi-dimensional heterogeneous medium, especially at field scales, the size of the mixing zone grows almost linearly with mean distance or travel time. If an observed breakthrough curve is forced to fit the, clinical theory, the resulting effective dispersivity, instead of being constant, also increases almost linearly with the spatial or temporal scale of the problem. This occurs because the heterogeneity in flow properties creates a corresponding velocity distribution along the different flow pathways from the inlet to the outlet of the system. Mixing occurs mostly at the outlet, or wherever the fluid is sampled, rather than within the medium. In this paper, we consider the effects. of this behavior on radionuclide or other contaminant migration.

  3. Heterogeneity, permeability patterns, and permeability upscaling: Physical characterization of a block of Massillon sandstone exhibiting nested scales of heterogeneity

    SciTech Connect

    TIDWELL,VINCENT C.; WILSON,JOHN L.

    2000-04-20

    Over 75,000 permeability measurements were collected from a meter-scale block of Massillon sandstone, characterized by conspicuous cross bedding that forms two distinct nested-scales of heterogeneity. With the aid of a gas minipermeameter, spatially exhaustive fields of permeability data were acquired at each of five different sample supports (i.e. sample volumes) from each block face. These data provide a unique opportunity to physically investigate the relationship between the multi-scale cross-stratified attributes of the sandstone and the corresponding statistical characteristics of the permeability. These data also provide quantitative physical information concerning the permeability upscaling of a complex heterogeneous medium. Here, a portion of the data taken from a single block face cut normal to stratification is analyzed. Results indicate a strong relationship between the calculated summary statistics and the cross-stratified structural features visible evident in the sandstone sample. Specifically, the permeability fields and semivariograms are characterized by two nested scales of heterogeneity, including a large-scale structure defined by the cross-stratified sets (delineated by distinct bounding surfaces) and a small-scale structure defined by the low-angle cross-stratification within each set. The permeability data also provide clear evidence of upscaling. That is, each calculated summary statistic exhibits distinct and consistent trends with increasing sample support. Among these trends are an increasing mean, decreasing variance, and an increasing semivariogram range. Results also clearly indicate that the different scales of heterogeneity upscale differently, with the small-scale structure being preferentially filtered from the data while the large-scale structure is preserved. Finally, the statistical and upscaling characteristics of individual cross-stratified sets were found to be very similar owing to their shared depositional environment

  4. Seismoelectric effects caused by mesoscopic heterogeneities

    NASA Astrophysics Data System (ADS)

    Germán Rubino, J.; Jougnot, Damien; Rosas Carbajal, Marina; Linde, Niklas; Holliger, Klaus

    2013-04-01

    When a seismic wave propagates through a fluid saturated porous medium, it produces a relative motion between the fluid phase and the rock matrix. In the presence of an electric double layer at the fluid-solid interface, this movement introduces a separation of electrical charges which in turn generates a time-varying electrical source current and a resulting distribution of electrical potential. The presence of mesoscopic heterogeneities, that is, heterogeneities having sizes larger than the typical pore size but smaller than the prevailing wavelength, can induce a significant oscillatory fluid flow in response to the propagation of seismic waves. Indeed, the energy dissipation related to this phenomenon is considered to be one of the most common and important seismic attenuation mechanisms operating in the shallow part of the crust. Given that the amount of fluid flow produced by this phenomenon can be significant, a potentially important seismoelectric signal is also expected in such media. However, to the best of the authors' knowledge, the role played by mesoscopic wave-induced fluid flow on seismoelectric phenomenon is so far largely unexplored. In this work, we propose a numerical approach for computing seismoelectric signals related to the presence of mesoscopic heterogeneities. To this end, we consider a two-dimensional representative rock sample containing mesoscopic heterogeneities and apply an oscillatory compression on its top boundary. The solid phase is neither allowed to move on the bottom boundary nor to have horizontal displacements on the lateral boundaries and the fluid is not allowed to flow into or out of the sample. The fluid velocity field is determined by solving the quasi-static poroelastic equations in the space-frequency domain under the governing boundary conditions. Next, the seismoelectric conversion is calculated using the so-called effective electrical excess charge approach, which has been recently developed in streaming potential

  5. Comparison of dose calculation methods for brachytherapy of intraocular tumors

    SciTech Connect

    Rivard, Mark J.; Chiu-Tsao, Sou-Tung; Finger, Paul T.; Meigooni, Ali S.; Melhus, Christopher S.; Mourtada, Firas; Napolitano, Mary E.; Rogers, D. W. O.; Thomson, Rowan M.; Nath, Ravinder

    2011-01-15

    Purpose: To investigate dosimetric differences among several clinical treatment planning systems (TPS) and Monte Carlo (MC) codes for brachytherapy of intraocular tumors using {sup 125}I or {sup 103}Pd plaques, and to evaluate the impact on the prescription dose of the adoption of MC codes and certain versions of a TPS (Plaque Simulator with optional modules). Methods: Three clinical brachytherapy TPS capable of intraocular brachytherapy treatment planning and two MC codes were compared. The TPS investigated were Pinnacle v8.0dp1, BrachyVision v8.1, and Plaque Simulator v5.3.9, all of which use the AAPM TG-43 formalism in water. The Plaque Simulator software can also handle some correction factors from MC simulations. The MC codes used are MCNP5 v1.40 and BrachyDose/EGSnrc. Using these TPS and MC codes, three types of calculations were performed: homogeneous medium with point sources (for the TPS only, using the 1D TG-43 dose calculation formalism); homogeneous medium with line sources (TPS with 2D TG-43 dose calculation formalism and MC codes); and plaque heterogeneity-corrected line sources (Plaque Simulator with modified 2D TG-43 dose calculation formalism and MC codes). Comparisons were made of doses calculated at points-of-interest on the plaque central-axis and at off-axis points of clinical interest within a standardized model of the right eye. Results: For the homogeneous water medium case, agreement was within {approx}2% for the point- and line-source models when comparing between TPS and between TPS and MC codes, respectively. For the heterogeneous medium case, dose differences (as calculated using the MC codes and Plaque Simulator) differ by up to 37% on the central-axis in comparison to the homogeneous water calculations. A prescription dose of 85 Gy at 5 mm depth based on calculations in a homogeneous medium delivers 76 Gy and 67 Gy for specific {sup 125}I and {sup 103}Pd sources, respectively, when accounting for COMS-plaque heterogeneities. For off

  6. Comparison of dose calculation methods for brachytherapy of intraocular tumors

    PubMed Central

    Rivard, Mark J.; Chiu-Tsao, Sou-Tung; Finger, Paul T.; Meigooni, Ali S.; Melhus, Christopher S.; Mourtada, Firas; Napolitano, Mary E.; Rogers, D. W. O.; Thomson, Rowan M.; Nath, Ravinder

    2011-01-01

    Purpose: To investigate dosimetric differences among several clinical treatment planning systems (TPS) and Monte Carlo (MC) codes for brachytherapy of intraocular tumors using 125I or 103Pd plaques, and to evaluate the impact on the prescription dose of the adoption of MC codes and certain versions of a TPS (Plaque Simulator with optional modules). Methods: Three clinical brachytherapy TPS capable of intraocular brachytherapy treatment planning and two MC codes were compared. The TPS investigated were Pinnacle v8.0dp1, BrachyVision v8.1, and Plaque Simulator v5.3.9, all of which use the AAPM TG-43 formalism in water. The Plaque Simulator software can also handle some correction factors from MC simulations. The MC codes used are MCNP5 v1.40 and BrachyDose∕EGSnrc. Using these TPS and MC codes, three types of calculations were performed: homogeneous medium with point sources (for the TPS only, using the 1D TG-43 dose calculation formalism); homogeneous medium with line sources (TPS with 2D TG-43 dose calculation formalism and MC codes); and plaque heterogeneity-corrected line sources (Plaque Simulator with modified 2D TG-43 dose calculation formalism and MC codes). Comparisons were made of doses calculated at points-of-interest on the plaque central-axis and at off-axis points of clinical interest within a standardized model of the right eye. Results: For the homogeneous water medium case, agreement was within ∼2% for the point- and line-source models when comparing between TPS and between TPS and MC codes, respectively. For the heterogeneous medium case, dose differences (as calculated using the MC codes and Plaque Simulator) differ by up to 37% on the central-axis in comparison to the homogeneous water calculations. A prescription dose of 85 Gy at 5 mm depth based on calculations in a homogeneous medium delivers 76 Gy and 67 Gy for specific 125I and 103Pd sources, respectively, when accounting for COMS-plaque heterogeneities. For off-axis points

  7. 3D velocity distribution of P- and S-waves in a biotite gneiss, measured in oil as the pressure medium: Comparison with velocity measurements in a multi-anvil pressure apparatus and with texture-based calculated data

    NASA Astrophysics Data System (ADS)

    Lokajíček, T.; Kern, H.; Svitek, T.; Ivankina, T.

    2014-06-01

    Ultrasonic measurements of the 3D velocity distribution of P- and S-waves were performed on a spherical sample of a biotite gneiss from the Outokumpu scientific drill hole. Measurements were done at room temperature and pressures up to 400 and 70 MPa, respectively, in a pressure vessel with oil as a pressure medium. A modified transducer/sample assembly and the installation of a new mechanical system allowed simultaneous measurements of P- and S-wave velocities in 132 independent directions of the sphere on a net in steps of 15°. Proper signals for P- and S-waves could be recorded by coating the sample surface with a high-viscosity shear wave gel and by temporal point contacting of the transmitter and receiver transducers with the sample surface during the measurements. The 3D seismic measurements revealed a strong foliation-related directional dependence (anisotropy) of P- and S-wave velocities, which is confirmed by measurements in a multi-anvil apparatus on a cube-shaped specimen of the same rock. Both experimental approaches show a marked pressure sensitivity of P- and S-wave velocities and velocity anisotropies. With increasing pressure, P- and S-wave velocities increase non-linearly due to progressive closure of micro-cracks. The reverse is true for velocity anisotropy. 3D velocity calculations based on neutron diffraction measurements of crystallographic preferred orientation (CPO) of major minerals show that the intrinsic bulk anisotropy is basically caused by the CPO of biotite constituting about 23 vol.% of the rock. Including the shape of biotite grains and oriented low-aspect ratio microcracks into the modelling increases bulk anisotropy. An important finding from this study is that the measurements on the sample sphere and on the sample cube displayed distinct differences, particularly in shear wave velocities. It is assumed that the differences are due to the different geometries of the samples and the configuration of the transducer-sample assembly

  8. Disordered hyperuniform heterogeneous materials.

    PubMed

    Torquato, Salvatore

    2016-10-19

    Disordered hyperuniform many-body systems are distinguishable states of matter that lie between a crystal and liquid: they are like perfect crystals in the way they suppress large-scale density fluctuations and yet are like liquids or glasses in that they are statistically isotropic with no Bragg peaks. These systems play a vital role in a number of fundamental and applied problems: glass formation, jamming, rigidity, photonic and electronic band structure, localization of waves and excitations, self-organization, fluid dynamics, quantum systems, and pure mathematics. Much of what we know theoretically about disordered hyperuniform states of matter involves many-particle systems. In this paper, we derive new rigorous criteria that disordered hyperuniform two-phase heterogeneous materials must obey and explore their consequences. Two-phase heterogeneous media are ubiquitous; examples include composites and porous media, biological media, foams, polymer blends, granular media, cellular solids, and colloids. We begin by obtaining some results that apply to hyperuniform two-phase media in which one phase is a sphere packing in d-dimensional Euclidean space [Formula: see text]. Among other results, we rigorously establish the requirements for packings of spheres of different sizes to be 'multihyperuniform'. We then consider hyperuniformity for general two-phase media in [Formula: see text]. Here we apply realizability conditions for an autocovariance function and its associated spectral density of a two-phase medium, and then incorporate hyperuniformity as a constraint in order to derive new conditions. We show that some functional forms can immediately be eliminated from consideration and identify other forms that are allowable. Specific examples and counterexamples are described. Contact is made with well-known microstructural models (e.g. overlapping spheres and checkerboards) as well as irregular phase-separation and Turing-type patterns. We also ascertain a family

  9. The porous medium permeability and effective diffusion coefficient direct correlation

    NASA Astrophysics Data System (ADS)

    Markicevic, Bojan

    2012-11-01

    Dimensionless analysis of a momentum and mass transport in the homogeneous porous medium reveals that the permeability and effective to the molecular diffusion coefficient ratio can be expressed as a function of medium pore and throat sizes and two additional geometrical scales. These two scales, each one pertinent to the momentum and mass transport, respectively, are referred to as permeability and diffusivity characteristic scales. Based on these findings, it can be shown that the medium permeability and effective diffusivity can be correlated, and, at the same time, that one microscopic scale needs to be known in this correlation. The same is implied from the Katz-Thompson formula - which correlates the permeability, effective diffusivity, and breakthrough capillary pressure length scale. We recast the correlation developed into the Katz-Thompson formula form, showing how corresponding members are related. It turns out that the coefficient from the Katz-Thompson formula is equal to the ratio of the permeability to diffusivity characteristic length scales, and it is indeed constant for the homogeneous media. As porous media are heterogeneous materials, the analysis is extended onto such materials using heterogeneous capillary networks. The networks with the uniform, normal and log-normal pore size distribution functions are generated, where the networks are sufficiently large to obtain small variations in permeability and effective diffusivity for pore size distribution set. For such stochastically homogeneous media, the effective pore size averages are used in calculating the permeability and effective diffusivity showing the true nature of the coefficient in the Katz-Thompson formula.

  10. Medium-induced multi-photon radiation

    NASA Astrophysics Data System (ADS)

    Ma, Hao; Salgado, Carlos A.; Tywoniuk, Konrad

    2011-01-01

    We study the spectrum of multi-photon radiation off a fast quark in medium in the BDMPS/ASW approach. We reproduce the medium-induced one-photon radiation spectrum in dipole approximation, and go on to calculate the two-photon radiation in the Molière limit. We find that in this limit the LPM effect holds for medium-induced two-photon ladder emission.

  11. Dose specification for 192Ir high dose rate brachytherapy in terms of dose-to-water-in-medium and dose-to-medium-in-medium

    NASA Astrophysics Data System (ADS)

    Paiva Fonseca, Gabriel; Carlsson Tedgren, Åsa; Reniers, Brigitte; Nilsson, Josef; Persson, Maria; Yoriyaz, Hélio; Verhaegen, Frank

    2015-06-01

    Dose calculation in high dose rate brachytherapy with 192Ir is usually based on the TG-43U1 protocol where all media are considered to be water. Several dose calculation algorithms have been developed that are capable of handling heterogeneities with two possibilities to report dose: dose-to-medium-in-medium (Dm,m) and dose-to-water-in-medium (Dw,m). The relation between Dm,m and Dw,m for 192Ir is the main goal of this study, in particular the dependence of Dw,m on the dose calculation approach using either large cavity theory (LCT) or small cavity theory (SCT). A head and neck case was selected due to the presence of media with a large range of atomic numbers relevant to tissues and mass densities such as air, soft tissues and bone interfaces. This case was simulated using a Monte Carlo (MC) code to score: Dm,m, Dw,m (LCT), mean photon energy and photon fluence. Dw,m (SCT) was derived from MC simulations using the ratio between the unrestricted collisional stopping power of the actual medium and water. Differences between Dm,m and Dw,m (SCT or LCT) can be negligible (<1%) for some tissues e.g. muscle and significant for other tissues with differences of up to 14% for bone. Using SCT or LCT approaches leads to differences between Dw,m (SCT) and Dw,m (LCT) up to 29% for bone and 36% for teeth. The mean photon energy distribution ranges from 222 keV up to 356 keV. However, results obtained using mean photon energies are not equivalent to the ones obtained using the full, local photon spectrum. This work concludes that it is essential that brachytherapy studies clearly report the dose quantity. It further shows that while differences between Dm,m and Dw,m (SCT) mainly depend on tissue type, differences between Dm,m and Dw,m (LCT) are, in addition, significantly dependent on the local photon energy fluence spectrum which varies with distance to implanted sources.

  12. SU-E-T-477: An Efficient Dose Correction Algorithm Accounting for Tissue Heterogeneities in LDR Brachytherapy

    SciTech Connect

    Mashouf, S; Lai, P; Karotki, A; Keller, B; Beachey, D; Pignol, J

    2014-06-01

    Purpose: Seed brachytherapy is currently used for adjuvant radiotherapy of early stage prostate and breast cancer patients. The current standard for calculation of dose surrounding the brachytherapy seeds is based on American Association of Physicist in Medicine Task Group No. 43 (TG-43 formalism) which generates the dose in homogeneous water medium. Recently, AAPM Task Group No. 186 emphasized the importance of accounting for tissue heterogeneities. This can be done using Monte Carlo (MC) methods, but it requires knowing the source structure and tissue atomic composition accurately. In this work we describe an efficient analytical dose inhomogeneity correction algorithm implemented using MIM Symphony treatment planning platform to calculate dose distributions in heterogeneous media. Methods: An Inhomogeneity Correction Factor (ICF) is introduced as the ratio of absorbed dose in tissue to that in water medium. ICF is a function of tissue properties and independent of source structure. The ICF is extracted using CT images and the absorbed dose in tissue can then be calculated by multiplying the dose as calculated by the TG-43 formalism times ICF. To evaluate the methodology, we compared our results with Monte Carlo simulations as well as experiments in phantoms with known density and atomic compositions. Results: The dose distributions obtained through applying ICF to TG-43 protocol agreed very well with those of Monte Carlo simulations as well as experiments in all phantoms. In all cases, the mean relative error was reduced by at least 50% when ICF correction factor was applied to the TG-43 protocol. Conclusion: We have developed a new analytical dose calculation method which enables personalized dose calculations in heterogeneous media. The advantages over stochastic methods are computational efficiency and the ease of integration into clinical setting as detailed source structure and tissue segmentation are not needed. University of Toronto, Natural Sciences and

  13. Phenotypically heterogeneous populations in spatially heterogeneous environments

    NASA Astrophysics Data System (ADS)

    Patra, Pintu; Klumpp, Stefan

    2014-03-01

    The spatial expansion of a population in a nonuniform environment may benefit from phenotypic heterogeneity with interconverting subpopulations using different survival strategies. We analyze the crossing of an antibiotic-containing environment by a bacterial population consisting of rapidly growing normal cells and slow-growing, but antibiotic-tolerant persister cells. The dynamics of crossing is characterized by mean first arrival times and is found to be surprisingly complex. It displays three distinct regimes with different scaling behavior that can be understood based on an analytical approximation. Our results suggest that a phenotypically heterogeneous population has a fitness advantage in nonuniform environments and can spread more rapidly than a homogeneous population.

  14. Vector meson masses in nuclear medium

    NASA Astrophysics Data System (ADS)

    Morones-Ibarra, Jose Ruben

    1998-11-01

    In this work I carry out theoretical calculations of the Rho meson mass in nuclear medium when it couples to two pions which strongly couple to in medium N/wedge/*N/wedge([-]1) states. The calculations are done from the modified Rho meson propagator in a non-relativistic approximation. Defining the Rho meson mass as the position of the peak of the spectral function, we find that there is an increase of the Rho meson mass as the density of the nuclear medium augments. The width of the spectral function becomes larger and the peak height is reduced with increasing nuclear densities.

  15. Patterns of Emphysema Heterogeneity

    PubMed Central

    Valipour, Arschang; Shah, Pallav L.; Gesierich, Wolfgang; Eberhardt, Ralf; Snell, Greg; Strange, Charlie; Barry, Robert; Gupta, Avina; Henne, Erik; Bandyopadhyay, Sourish; Raffy, Philippe; Yin, Youbing; Tschirren, Juerg; Herth, Felix J.F.

    2016-01-01

    Background Although lobar patterns of emphysema heterogeneity are indicative of optimal target sites for lung volume reduction (LVR) strategies, the presence of segmental, or sublobar, heterogeneity is often underappreciated. Objective The aim of this study was to understand lobar and segmental patterns of emphysema heterogeneity, which may more precisely indicate optimal target sites for LVR procedures. Methods Patterns of emphysema heterogeneity were evaluated in a representative cohort of 150 severe (GOLD stage III/IV) chronic obstructive pulmonary disease (COPD) patients from the COPDGene study. High-resolution computerized tomography analysis software was used to measure tissue destruction throughout the lungs to compute heterogeneity (≥ 15% difference in tissue destruction) between (inter-) and within (intra-) lobes for each patient. Emphysema tissue destruction was characterized segmentally to define patterns of heterogeneity. Results Segmental tissue destruction revealed interlobar heterogeneity in the left lung (57%) and right lung (52%). Intralobar heterogeneity was observed in at least one lobe of all patients. No patient presented true homogeneity at a segmental level. There was true homogeneity across both lungs in 3% of the cohort when defining heterogeneity as ≥ 30% difference in tissue destruction. Conclusion Many LVR technologies for treatment of emphysema have focused on interlobar heterogeneity and target an entire lobe per procedure. Our observations suggest that a high proportion of patients with emphysema are affected by interlobar as well as intralobar heterogeneity. These findings prompt the need for a segmental approach to LVR in the majority of patients to treat only the most diseased segments and preserve healthier ones. PMID:26430783

  16. Heterogeneity of an earth

    NASA Astrophysics Data System (ADS)

    Litvinova, T.; Petrova, A.

    2009-04-01

    The study of magnetic anomaly field structure of the Barents Sea water area along seismic and extended profiles intersecting known fields is carried out. Geomagnetic and density sections down to 40 km depth are constructed. This allowed the estimation of heterogeneities of the Barents Sea water area deep structure. The analysis of geomagnetic and density sections along extended profiles showed the confinedness of oil-and-gas bearing provinces to deep permeable zones characterized by reduced magnetic and density features. Based on the analysis of permeable zones, regional diagnostic features similar to those obtained earlier in oil-and-gas bearing provinces in other regions, for example, in Timan-Pechora, Volga-Urals and Siberian, as well as in the Northern and Norwegian seas water areas, are revealed. The analysis of magnetic and gravity fields over the region area allowed the delineation of weakened zones as intersection areas of weakly magnetic areals with reduced density. Within the Barents Sea water area, permeable areas with lenticular-laminated structure of the upper and lower Earth's crust containing weakly magnetic areals with reduced rock density within the depth range of 8-12 and 15-20 km are revealed. Such ratio of magnetic and density heterogeneities in the Earth's crust is characteristic for zones with proved oil-and-gas content in the European part of the Atlantic Ocean water area. North Kildin field on 1 AR profile is confined to a trough with thick weakly magnetic stratum discontinuously traced to a depth of 6-10 km. At a depth of approximately 15 km, a lens of weakly magnetic and porous formations is observed. Ludlov field in the North Barents trough is confined to a zone of weakly magnetic rocks with reduced density traced to a depth of 8-9 km. Deeper, at Н=15 km, a lenticular areal of weakly magnetic formations with reduced density is observed. The profile transecting the Stockman field shows that it is located in the central part of a permeable

  17. Dissociation and regeneration kinetics of carbon dioxide in the active medium of sealed-off transverse RF-excited CO{sub 2} lasers

    SciTech Connect

    Vesnov, I G

    2010-06-23

    An improved mathematical model describing the dissociation and regenerations kinetics of carbon dioxide in the active medium of sealed-off transverse RF-excited CO{sub 2} lasers is presented. It is shown that the calculation of the active medium composition of such lasers requires the equations of the gas-mixture kinetics to take into account the diffuse flow of oxygen atoms on metal electrodes and on the surface of heterogeneous catalysts used to reduce the degree of the carbon dioxide dissociation. The rate constants of the heterogeneous recombination reaction CO + O {yields} CO{sub 2} on the surface of alumina ceramics and Al{sub 2}O{sub 3} are determined. (active media)

  18. Tumour Cell Heterogeneity

    PubMed Central

    Gay, Laura; Baker, Ann-Marie; Graham, Trevor A.

    2016-01-01

    The population of cells that make up a cancer are manifestly heterogeneous at the genetic, epigenetic, and phenotypic levels. In this mini-review, we summarise the extent of intra-tumour heterogeneity (ITH) across human malignancies, review the mechanisms that are responsible for generating and maintaining ITH, and discuss the ramifications and opportunities that ITH presents for cancer prognostication and treatment. PMID:26973786

  19. Wetting of a chemically heterogeneous surface

    SciTech Connect

    Frink, L.J.; Salinger, A.G.

    1999-03-01

    Theories for inhomogeneous fluids have focused in recent years on wetting, capillary condensation, and solvation forces for model systems where the surface(s) is(are) smooth homogeneous parallel plates, cylinders, or spherical drops. Unfortunately natural systems are more likely to be heterogeneous both in surface shape and surface chemistry. In this paper we discuss the consequences of chemical heterogeneity on wetting. Specifically, a two-dimensional (2D) implementation of a nonlocal density-functional theory is solved for a striped surface model. Both the strength and range of the heterogeneity are varied. Contact angles are calculated, and phase transitions (both the wetting transition and a local layering transition) are located. The wetting properties of the surface are shown to be strongly dependent on the nature of the surface heterogeneity. In addition highly ordered nanoscopic phases are found, and the operational limits for formation of ordered or crystalline phases of nanoscopic extent are discussed. {copyright} {ital 1999 American Institute of Physics.}

  20. Modeling blood flow heterogeneity.

    PubMed

    King, R B; Raymond, G M; Bassingthwaighte, J B

    1996-01-01

    It has been known for some time that regional blood flows within an organ are not uniform. Useful measures of heterogeneity of regional blood flows are the standard deviation and coefficient of variation or relative dispersion of the probability density function (PDF) of regional flows obtained from the regional concentrations of tracers that are deposited in proportion to blood flow. When a mathematical model is used to analyze dilution curves after tracer solute administration, for many solutes it is important to account for flow heterogeneity and the wide range of transit times through multiple pathways in parallel. Failure to do so leads to bias in the estimates of volumes of distribution and membrane conductances. Since in practice the number of paths used should be relatively small, the analysis is sensitive to the choice of the individual elements used to approximate the distribution of flows or transit times. Presented here is a method for modeling heterogeneous flow through an organ using a scheme that covers both the high flow and long transit time extremes of the flow distribution. With this method, numerical experiments are performed to determine the errors made in estimating parameters when flow heterogeneity is ignored, in both the absence and presence of noise. The magnitude of the errors in the estimates depends upon the system parameters, the amount of flow heterogeneity present, and whether the shape of the input function is known. In some cases, some parameters may be estimated to within 10% when heterogeneity is ignored (homogeneous model), but errors of 15-20% may result, even when the level of heterogeneity is modest. In repeated trials in the presence of 5% noise, the mean of the estimates was always closer to the true value with the heterogeneous model than when heterogeneity was ignored, but the distributions of the estimates from the homogeneous and heterogeneous models overlapped for some parameters when outflow dilution curves were

  1. Medium-to-medium transition radiation and the detection of ultrarelativistic charged particles

    NASA Technical Reports Server (NTRS)

    Robbins, D. E.; Mack, J. E.

    1972-01-01

    The use of X-ray transition radiation to distinguish between protons and positrons of equal rigidity was investigated. A formula for the transition radiation spectrum from a medium-to-medium boundary was derived. The formation zone effect was found to limit the detection of transition radiation from ultrarelativistic particles. Curves showing the results of the spectrum calculations are presented.

  2. Heterogeneous Atmospheric Chemistry

    NASA Astrophysics Data System (ADS)

    Schryer, David R.

    In the past few years it has become increasingly clear that heterogeneous, or multiphase, processes play an important role in the atmosphere. Unfortunately the literature on the subject, although now fairly extensive, is still rather dispersed. Furthermore, much of the expertise regarding heterogeneous processes lies in fields not directly related to atmospheric science. Therefore, it seemed desirable to bring together for an exchange of ideas, information, and methodologies the various atmospheric scientists who are actively studying heterogeneous processes as well as other researchers studying similar processes in the context of other fields.

  3. Shock velocity increase due to a heterogeneity produced by a two-gas layer.

    PubMed

    Elbaz, Déborah; Jourdan, Georges; Houas, Lazhar; Jaouen, Stéphane; Ballereau, Philippe; Dias, Frédéric; Canaud, Benoit

    2012-06-01

    Shock tube experiments are performed in order to study shock propagation along a two-gas layer in a confined geometry and to compare it to the case of a homogeneous density equivalent mixture. The analysis of the homogeneous case gives values for the adiabatic coefficient and density of the mixture of both gases, while the comparison between heterogeneous and homogeneous media with the same averaged density shows modifications of the shock front shape and velocity. In the two-gas layer, the shock propagates faster than in the homogeneous medium. The shock front is curved with a triple point which appears close to the shock-tube wall, in the slow medium, while it stays planar during its whole propagation in the homogeneous mixture. A correlation is found between the angle of curvature and the shock velocity increase. It is confirmed by two-dimensional Eulerian numerical calculations. Experiments and calculations exhibit very good agreement on all the measurements when molecular diffusion is taken into account in the numerical calculations. A sustained irregular refraction pattern of the shock front at the diffuse interface of both gases is obtained experimentally and confirmed by the calculations. PMID:23005206

  4. Swimming fluctuations of micro-organisms due to heterogeneous microstructure.

    PubMed

    Jabbarzadeh, Mehdi; Hyon, YunKyong; Fu, Henry C

    2014-10-01

    Swimming microorganisms in biological complex fluids may be greatly influenced by heterogeneous media and microstructure with length scales comparable to the organisms. A fundamental effect of swimming in a heterogeneous rather than homogeneous medium is that variations in local environments lead to swimming velocity fluctuations. Here we examine long-range hydrodynamic contributions to these fluctuations using a Najafi-Golestanian swimmer near spherical and filamentous obstacles. We find that forces on microstructures determine changes in swimming speed. For macroscopically isotropic networks, we also show how the variance of the fluctuations in swimming speeds are related to density and orientational correlations in the medium. PMID:25375607

  5. Swimming fluctuations of micro-organisms due to heterogeneous microstructure

    NASA Astrophysics Data System (ADS)

    Jabbarzadeh, Mehdi; Hyon, YunKyong; Fu, Henry C.

    2014-10-01

    Swimming microorganisms in biological complex fluids may be greatly influenced by heterogeneous media and microstructure with length scales comparable to the organisms. A fundamental effect of swimming in a heterogeneous rather than homogeneous medium is that variations in local environments lead to swimming velocity fluctuations. Here we examine long-range hydrodynamic contributions to these fluctuations using a Najafi-Golestanian swimmer near spherical and filamentous obstacles. We find that forces on microstructures determine changes in swimming speed. For macroscopically isotropic networks, we also show how the variance of the fluctuations in swimming speeds are related to density and orientational correlations in the medium.

  6. Upscaling small heterogeneities for seismic wave propagation in 3D complex media

    NASA Astrophysics Data System (ADS)

    Cupillard, P.; Capdeville, Y.

    2012-04-01

    Seismic waves propagating in the Earth are affected by different sizes of heterogeneities. When modelling these waves (using numerical methods such as the SEM), taking into account heterogeneities that are much smaller than the minimum wavelength is a challenge because meshing small heterogeneities often requires important efforts and leads to high numerical costs. In this work, we present a technique which allows to upscale the small heterogeneities that can lie in an elastic medium. This technique yields a smooth effective medium and effective equations. We describe its implementation in the 3D case and we show relevant examples.

  7. Teaching Heterogeneous Classes.

    ERIC Educational Resources Information Center

    Millrood, Radislav

    2002-01-01

    Discusses an approach to teaching heterogeneous English-as-a-Second/Foreign-Language classes. Draws on classroom research data to describe the features of a success-building lesson context. (Author/VWL)

  8. Heterogeneous atmospheric chemistry

    NASA Technical Reports Server (NTRS)

    Schryer, D. R.

    1982-01-01

    The present conference on heterogeneous atmospheric chemistry considers such topics concerning clusters, particles and microparticles as common problems in nucleation and growth, chemical kinetics, and catalysis, chemical reactions with aerosols, electron beam studies of natural and anthropogenic microparticles, and structural studies employing molecular beam techniques, as well as such gas-solid interaction topics as photoassisted reactions, catalyzed photolysis, and heterogeneous catalysis. Also discussed are sulfur dioxide absorption, oxidation, and oxidation inhibition in falling drops, sulfur dioxide/water equilibria, the evidence for heterogeneous catalysis in the atmosphere, the importance of heterogeneous processes to tropospheric chemistry, soot-catalyzed atmospheric reactions, and the concentrations and mechanisms of formation of sulfate in the atmospheric boundary layer.

  9. Towards heterogeneous distributed debugging

    SciTech Connect

    Damodaran-Kamal, S.K.

    1995-04-01

    Several years of research and development in parallel debugger design have given up several techniques, though implemented in a wide range of tools for an equally wide range of systems. This paper is an evaluation of these myriad techniques as applied to the design of a heterogeneous distributed debugger. The evaluation is based on what features users perceive as useful, as well as the ease of implementation of the features using the available technology. A preliminary architecture for such a heterogeneous tool is proposed. Our effort in this paper is significantly different from the other efforts at creating portable and heterogeneous distributed debuggers in that we concentrate on support for all the important issues in parallel debugging, instead of simply concentrating on portability and heterogeneity.

  10. Investigation on relationship between epicentral distance and growth curve of initial P-wave propagating in local heterogeneous media for earthquake early warning system

    NASA Astrophysics Data System (ADS)

    Okamoto, Kyosuke; Tsuno, Seiji

    2015-10-01

    In the earthquake early warning (EEW) system, the epicenter location and magnitude of earthquakes are estimated using the amplitude growth rate of initial P-waves. It has been empirically pointed out that the growth rate becomes smaller as epicentral distance becomes far regardless of the magnitude of earthquakes. So, the epicentral distance can be estimated from the growth rate using this empirical relationship. However, the growth rates calculated from different earthquakes at the same epicentral distance mark considerably different values from each other. Sometimes the growth rates of earthquakes having the same epicentral distance vary by 104 times. Qualitatively, it has been considered that the gap in the growth rates is due to differences in the local heterogeneities that the P-waves propagate through. In this study, we demonstrate theoretically how local heterogeneities in the subsurface disturb the relationship between the growth rate and the epicentral distance. Firstly, we calculate seismic scattered waves in a heterogeneous medium. First-ordered PP, PS, SP, and SS scatterings are considered. The correlation distance of the heterogeneities and fractional fluctuation of elastic parameters control the heterogeneous conditions for the calculation. From the synthesized waves, the growth rate of the initial P-wave is obtained. As a result, we find that a parameter (in this study, correlation distance) controlling heterogeneities plays a key role in the magnitude of the fluctuation of the growth rate. Then, we calculate the regional correlation distances in Japan that can account for the fluctuation of the growth rate of real earthquakes from 1997 to 2011 observed by K-NET and KiK-net. As a result, the spatial distribution of the correlation distance shows locality. So, it is revealed that the growth rates fluctuate according to the locality. When this local fluctuation is taken into account, the accuracy of the estimation of epicentral distances from initial P

  11. Medium modifications with recoil polarization

    SciTech Connect

    Brand, J.F.J. van den; Ent, R.

    1994-04-01

    The authors show that the virtual Compton scattering process allows for a precise study of the off-shell electron-nucleon vertex. In a separable model, they show the sensitivity to new unconstrained structure functions of the nucleon, beyond the usual Dirac and Pauli form factors. In addition, they show the sensitivity to bound nucleon form factors using the reaction 4He({rvec e},e{prime},{rvec p}){sup 3}H. A nucleon embedded in a nucleus represents a complex system. Firstly, the bound nucleon is necessarily off-shell and in principle a complete understanding of the dynamical structure of the nucleon is required in order to calculate its off-shell electromagnetic interaction. Secondly, one faces the possibility of genuine medium effects, such as for example quark-exchange contributions. Furthermore, the electromagnetic coupling to the bound nucleon is dependent on the nuclear dynamics through the self-energy of the nucleon in the nuclear medium.

  12. Estimation of Random Medium Parameters from 2D Post-Stack Seismic Data and Its Application in Seismic Inversion

    NASA Astrophysics Data System (ADS)

    Yang, X.; Zhu, P.; Gu, Y.; Xu, Z.

    2015-12-01

    Small scale heterogeneities of subsurface medium can be characterized conveniently and effectively using a few simple random medium parameters (RMP), such as autocorrelation length, angle and roughness factor, etc. The estimation of these parameters is significant in both oil reservoir prediction and metallic mine exploration. Poor accuracy and low stability existed in current estimation approaches limit the application of random medium theory in seismic exploration. This study focuses on improving the accuracy and stability of RMP estimation from post-stacked seismic data and its application in the seismic inversion. Experiment and theory analysis indicate that, although the autocorrelation of random medium is related to those of corresponding post-stacked seismic data, the relationship is obviously affected by the seismic dominant frequency, the autocorrelation length, roughness factor and so on. Also the error of calculation of autocorrelation in the case of finite and discrete model decreases the accuracy. In order to improve the precision of estimation of RMP, we design two improved approaches. Firstly, we apply region growing algorithm, which often used in image processing, to reduce the influence of noise in the autocorrelation calculated by the power spectrum method. Secondly, the orientation of autocorrelation is used as a new constraint in the estimation algorithm. The numerical experiments proved that it is feasible. In addition, in post-stack seismic inversion of random medium, the estimated RMP may be used to constrain inverse procedure and to construct the initial model. The experiment results indicate that taking inversed model as random medium and using relatively accurate estimated RMP to construct initial model can get better inversion result, which contained more details conformed to the actual underground medium.

  13. Characterization of Paper Heterogeneity

    NASA Astrophysics Data System (ADS)

    Considine, John M.

    Paper and paperboard are the most widely-used green materials in the world because they are renewable, recyclable, reusable, and compostable. Continued and expanded use of these materials and their potential use in new products requires a comprehensive understanding of the variability of their mechanical properties. This work develops new methods to characterize the mechanical properties of heterogeneous materials through a combination of techniques in experimental mechanics, materials science and numerical analysis. Current methods to analyze heterogeneous materials focus on crystalline materials or polymer-crystalline composites, where material boundaries are usually distinct. This work creates a methodology to analyze small, continuously-varying stiffness gradients in 100% polymer systems and is especially relevant to paper materials where factors influencing heterogeneity include local mass, fiber orientation, individual pulp fiber properties, local density, and drying restraint. A unique approach was used to understand the effect of heterogeneity on paper tensile strength. Additional variation was intentionally introduced, in the form of different size holes, and their effect on strength was measured. By modifying two strength criteria, an estimate of strength in the absence of heterogeneity was determined. In order to characterize stiffness heterogeneity, a novel load fixture was developed to excite full-field normal and shear strains for anisotropic stiffness determination. Surface strains were measured with digital image correlation and were analyzed with the VFM (Virtual Fields Method). This approach led to VFM-identified stiffnesses that were similar to values determined by conventional tests. The load fixture and VFM analyses were used to measure local stiffness and local stiffness variation on heterogeneous anisotropic materials. The approach was validated on simulated heterogeneous materials and was applied experimentally to three different paperboards

  14. Dose heterogeneity correction for low-energy brachytherapy sources using dual-energy CT images

    NASA Astrophysics Data System (ADS)

    Mashouf, S.; Lechtman, E.; Lai, P.; Keller, B. M.; Karotki, A.; Beachey, D. J.; Pignol, J. P.

    2014-09-01

    Permanent seed implant brachytherapy is currently used for adjuvant radiotherapy of early stage prostate and breast cancer patients. The current standard for calculation of dose around brachytherapy sources is based on the AAPM TG-43 formalism, which generates the dose in a homogeneous water medium. Recently, AAPM TG-186 emphasized the importance of accounting for tissue heterogeneities. We have previously reported on a methodology where the absorbed dose in tissue can be obtained by multiplying the dose, calculated by the TG-43 formalism, by an inhomogeneity correction factor (ICF). In this work we make use of dual energy CT (DECT) images to extract ICF parameters. The advantage of DECT over conventional CT is that it eliminates the need for tissue segmentation as well as assignment of population based atomic compositions. DECT images of a heterogeneous phantom were acquired and the dose was calculated using both TG-43 and TG-43 × \\text{ICF} formalisms. The results were compared to experimental measurements using Gafchromic films in the mid-plane of the phantom. For a seed implant configuration of 8 seeds spaced 1.5 cm apart in a cubic structure, the gamma passing score for 2%/2 mm criteria improved from 40.8% to 90.5% when ICF was applied to TG-43 dose distributions.

  15. Contaminant Detection in Heterogeneous Aquifers: Sampling Frequency and Number of Monitoring Wells

    NASA Astrophysics Data System (ADS)

    Paleologos, E.; Papapetridis, K.

    2012-04-01

    A Monte Carlo stochastic model was developed to simulate contaminant transport from an instantaneous source into a heterogeneous, two-dimensional aquifer in order to evaluate the effectiveness of contaminant detection by a network of monitoring wells. Successful detection is influenced by many uncertainty factors, where the heterogeneity of the geologic environment and inherent contamination dispersion into the geologic medium are the most important. Additional uncertainty arises from the lack of information about the quantity and nature of the contaminants, the time of leakage, the number and location of the contamination sources and monitoring wells, as well as the frequency of sampling. The heterogeneity of the geologic environment was addressed through the hydraulic conductivity, which was simulated as a log-normal, stationary, second order, isotropic stochastic process. The second source of uncertainty arises from the way a pollutant is transported into the subsurface heterogeneous environment. The particle tracking method based on the 'random walk' approach was adopted to simulate a plume's advective and dispersive movement. In this study a conservative and fully water soluble contaminant was assumed, considering different cases of initially released quantities, single or dual random sources inside landfill's boundaries and different facility's dimensions. Several numerical experiments were conducted in order to determine the detection probabilities Pd achieved by monitoring networks, to evaluate the effectiveness of various sampling frequencies and to calculate the contaminated groundwater areas. It was shown that detection decreases as heterogeneity increases. Monitoring with 20 wells provides high detection, while 3 wells result in four out of five contamination cases to remain undetected. For fixed heterogeneity, for each well arrangement, Pd increases up to a certain value with increasing transverse dispersion coefficient and then it decreases. The

  16. CBI: Systems or Medium?

    ERIC Educational Resources Information Center

    Higginbotham-Wheat, Nancy L.

    This paper addresses one area of conflict in decisionmaking in computer-based instruction (CBI) research: the relationship between the researcher's definition of CBI either as a medium or as an integrated system and the design of meaningful research questions. (A medium is defined here as a device for the delivery of instruction, while an…

  17. Synthetic laser medium

    DOEpatents

    Stokowski, Stanley E.

    1989-01-01

    A laser medium is particularly useful in high average power solid state lasers. The laser medium includes a chormium dopant and preferably neodymium ions as codopant, and is primarily a gadolinium scandium gallium garnet, or an analog thereof. Divalent cations inhibit spiral morphology as large boules from which the laser medium is derived are grown, and a source of ions convertible between a trivalent state and a tetravalent state at a low ionization energy are in the laser medium to reduce an absorption coefficient at about one micron wavelength otherwise caused by the divalent cations. These divalent cations and convertible ions are dispersed in the laser medium. Preferred convertible ions are provided from titanium or cerium sources.

  18. Synthetic laser medium

    DOEpatents

    Stokowski, S.E.

    1987-10-20

    A laser medium is particularly useful in high average power solid state lasers. The laser medium includes a chromium dopant and preferably neodymium ions as codopant, and is primarily a gadolinium scandium gallium garnet, or an analog thereof. Divalent cations inhibit spiral morphology as large boules from which the laser medium is derived are grown, and a source of ions convertible between a trivalent state and a tetravalent state at a low ionization energy are in the laser medium to reduce an absorption coefficient at about one micron wavelength otherwise caused by the divalent cations. These divalent cations and convertible ions are dispersed in the laser medium. Preferred convertible ions are provided from titanium or cerium sources.

  19. Simple heterogeneity parametrization for sea surface temperature and chlorophyll

    NASA Astrophysics Data System (ADS)

    Skákala, Jozef; Smyth, Timothy J.

    2016-06-01

    Using satellite maps this paper offers a complex analysis of chlorophyll & SST heterogeneity in the shelf seas around the southwest of the UK. The heterogeneity scaling follows a simple power law and is consequently parametrized by two parameters. It is shown that in most cases these two parameters vary only relatively little with time. The paper offers a detailed comparison of field heterogeneity between different regions. How much heterogeneity is in each region preserved in the annual median data is also determined. The paper explicitly demonstrates how one can use these results to calculate representative measurement area for in situ networks.

  20. Green's Function Retrieval and Marchenko Imaging in a Dissipative Acoustic Medium

    NASA Astrophysics Data System (ADS)

    Slob, Evert

    2016-04-01

    Single-sided Marchenko equations for Green's function construction and imaging relate the measured reflection response of a lossless heterogeneous medium to an acoustic wave field inside this medium. I derive two sets of single-sided Marchenko equations for the same purpose, each in a heterogeneous medium, with one medium being dissipative and the other a corresponding medium with negative dissipation. Double-sided scattering data of the dissipative medium are required as input to compute the surface reflection response in the corresponding medium with negative dissipation. I show that each set of single-sided Marchenko equations leads to Green's functions with a virtual receiver inside the medium: one exists inside the dissipative medium and one in the medium with negative dissipation. This forms the basis of imaging inside a dissipative heterogeneous medium. I relate the Green's functions to the reflection response inside each medium, from which the image can be constructed. I illustrate the method with a one-dimensional example that shows the image quality. The method has a potentially wide range of imaging applications where the material under test is accessible from two sides.

  1. Green's Function Retrieval and Marchenko Imaging in a Dissipative Acoustic Medium.

    PubMed

    Slob, Evert

    2016-04-22

    Single-sided Marchenko equations for Green's function construction and imaging relate the measured reflection response of a lossless heterogeneous medium to an acoustic wave field inside this medium. I derive two sets of single-sided Marchenko equations for the same purpose, each in a heterogeneous medium, with one medium being dissipative and the other a corresponding medium with negative dissipation. Double-sided scattering data of the dissipative medium are required as input to compute the surface reflection response in the corresponding medium with negative dissipation. I show that each set of single-sided Marchenko equations leads to Green's functions with a virtual receiver inside the medium: one exists inside the dissipative medium and one in the medium with negative dissipation. This forms the basis of imaging inside a dissipative heterogeneous medium. I relate the Green's functions to the reflection response inside each medium, from which the image can be constructed. I illustrate the method with a one-dimensional example that shows the image quality. The method has a potentially wide range of imaging applications where the material under test is accessible from two sides. PMID:27152808

  2. Effective reactive surface area: An anisotropic property of physically and chemically heterogeneous porous media

    SciTech Connect

    Smith, R.W.; Schafer, A.L.

    1999-07-01

    Although transport calculations are often formulated in terms of mass-based isotropic distribution coefficients, it is the abundance of reactive surface areas of subsurface materials that controls contaminant adsorption. In water-saturated homogeneous systems devoid of advective fluxes (e.g., batch experiments), the available reactive surface area is similar to the total surface area (as measured by conventional methods such as BET gas adsorption). However, in physically and chemically heterogeneous systems with advective fluxes, the effective reactive surface area (i.e., the surface area that a packet of advecting water interacts with) is smaller than the laboratory measured surface area and is a complex function of advective velocity and the correlation structures of the physical and chemical heterogeneities. Theoretical derivations for an important but simple type of heterogeneity (fine-scale horizontal layering) suggest that the effective reactive surface area is an anisotropic property of the medium and is inversely correlated with the anisotropy in hydraulic conductivity. The implications of reactive transport anisotropy include the concept that the retardation factor should be treated as a directional property rather than being treated as a constant. Furthermore, because of the inverse relationship between effective reactive surface area and hydraulic conductivity, batch adsorption experiments tend to overestimate the retention of contaminants relative to intact natural materials.

  3. The subgrid modeling of propagation of acoustic waves in heterogeneous media with multiscale isotropic random elastic stiffness and density

    NASA Astrophysics Data System (ADS)

    Soboleva, O. N.; Kurochkina, E. P.

    2016-01-01

    The effective coefficients in the problem of the acoustic wave propagation have been calculated for a multiscale 3D isotropic medium using a subgrid modeling approach. The density and the elastic stiffness have been represented mathematically by the Kolmogorov multiplicative cascades, which, to date, appear to be the only mechanisms for generating a stationary multifractal fields with a log-stable probability distribution. The fields with the stable distribution are described with the help of linear combination random values ?, ? and weight coefficients ?, ?, which satisfy certain conditions in the nodes of spatial grid ?. The parameters of the stable distribution of the random values ?, ? are equal: ?, ?, ?, ?. The wavelength is assumed to be large as compared with the scale of heterogeneities of the medium. We consider the regime in which the waves propagate over a distance of the typical wave length in source. The theoretical results obtained in this paper are compared with the results of a direct 3D numerical simulation.

  4. FINAL REPORT. CONTROL OF BIOLOGICALLY ACTIVE DEGRADATION ZONES BY VERTICAL HETEROGENEITY: APPLICATIONS IN FRACTURED MEDIA

    EPA Science Inventory

    The key objective of this research was to determine the distribution of biologically active contaminant degradation zones in a fractured, subsurface medium with respect to vertical heterogeneities. Our expectation was that
    hydrogeological properties would determine the size, d...

  5. Managing Power Heterogeneity

    NASA Astrophysics Data System (ADS)

    Pruhs, Kirk

    A particularly important emergent technology is heterogeneous processors (or cores), which many computer architects believe will be the dominant architectural design in the future. The main advantage of a heterogeneous architecture, relative to an architecture of identical processors, is that it allows for the inclusion of processors whose design is specialized for particular types of jobs, and for jobs to be assigned to a processor best suited for that job. Most notably, it is envisioned that these heterogeneous architectures will consist of a small number of high-power high-performance processors for critical jobs, and a larger number of lower-power lower-performance processors for less critical jobs. Naturally, the lower-power processors would be more energy efficient in terms of the computation performed per unit of energy expended, and would generate less heat per unit of computation. For a given area and power budget, heterogeneous designs can give significantly better performance for standard workloads. Moreover, even processors that were designed to be homogeneous, are increasingly likely to be heterogeneous at run time: the dominant underlying cause is the increasing variability in the fabrication process as the feature size is scaled down (although run time faults will also play a role). Since manufacturing yields would be unacceptably low if every processor/core was required to be perfect, and since there would be significant performance loss from derating the entire chip to the functioning of the least functional processor (which is what would be required in order to attain processor homogeneity), some processor heterogeneity seems inevitable in chips with many processors/cores.

  6. Impact of supersonic and subsonic aircraft on ozone: Including heterogeneous chemical reaction mechanisms

    NASA Technical Reports Server (NTRS)

    Kinnison, Douglas E.; Wuebbles, Donald J.

    1994-01-01

    Preliminary calculations suggest that heterogeneous reactions are important in calculating the impact on ozone from emissions of trace gases from aircraft fleets. In this study, three heterogeneous chemical processes that occur on background sulfuric acid aerosols are included and their effects on O3, NO(x), Cl(x), HCl, N2O5, ClONO2 are calculated.

  7. Shock Initiation of Heterogeneous Explosives

    SciTech Connect

    Reaugh, J E

    2004-05-10

    The fundamental picture that shock initiation in heterogeneous explosives is caused by the linking of hot spots formed at inhomogeneities was put forward by several researchers in the 1950's and 1960's, and more recently. Our work uses the computer hardware and software developed in the Advanced Simulation and Computing (ASC) program of the U.S. Department of Energy to explicitly include heterogeneities at the scale of the explosive grains and to calculate the consequences of realistic although approximate models of explosive behavior. Our simulations are performed with ALE-3D, a three-dimensional, elastic-plastic-hydrodynamic Arbitrary Lagrange-Euler finite-difference program, which includes chemical kinetics and heat transfer, and which is under development at this laboratory. We developed the parameter values for a reactive-flow model to describe the non-ideal detonation behavior of an HMX-based explosive from the results of grain-scale simulations. In doing so, we reduced the number of free parameters that are inferred from comparison with experiment to a single one - the characteristic defect dimension. We also performed simulations of the run to detonation in small volumes of explosive. These simulations illustrate the development of the reaction zone and the acceleration of the shock front as the flame fronts start from hot spots, grow, and interact behind the shock front. In this way, our grain-scale simulations can also connect to continuum experiments directly.

  8. Heterogeneous Catalytic Chemistry by Example of Industrial Applications

    ERIC Educational Resources Information Center

    Heveling, Josef

    2012-01-01

    Worldwide, more than 85% of all chemical products are manufactured with the help of catalysts. Virtually all transition metals of the periodic table are active as catalysts or catalyst promoters. Catalysts are divided into homogeneous catalysts, which are soluble in the reaction medium, and heterogeneous catalysts, which remain in the solid state.…

  9. Heterogeneous waste processing

    DOEpatents

    Vanderberg, Laura A.; Sauer, Nancy N.; Brainard, James R.; Foreman, Trudi M.; Hanners, John L.

    2000-01-01

    A combination of treatment methods are provided for treatment of heterogeneous waste including: (1) treatment for any organic compounds present; (2) removal of metals from the waste; and, (3) bulk volume reduction, with at least two of the three treatment methods employed and all three treatment methods emplyed where suitable.

  10. Solute transport in heterogeneous porous formations

    NASA Astrophysics Data System (ADS)

    Demmy, George Gary, Jr.

    1999-10-01

    This work quantifies relationships between the spatial, or Eulerian, distribution of the properties of a chemically and physically heterogeneous porous medium and those as observed along the natural, or Lagrangian, trajectories that a fluid particle traces in a steady and irrotational flow. From these relationships, expressions that relate the transport of solutes through the porous medium along the natural trajectories to the aforementioned Eulerian distributions are developed. The effects of injection mode upon global measures of transport as reflected by the temporal moments of breakthrough curves and spatial moments of a solute plume are developed. The coupled effects of correlation of a linear equilibrium sorption to the underlying log hydraulic conductivity field and injection mode on the evolving temporal moments of mass breakthrough curve and the coupled effects of correlation of a first-order decay coefficient and injection mode upon the spatial moments of a solute plume are examined.

  11. Transmission imaging in heterogeneous media

    NASA Astrophysics Data System (ADS)

    Bongajum, E. L.; Meng, Y.; Milkereit, B.

    2010-12-01

    Wave propagation in heterogeneous media is characterized by amplitude, traveltime, and spectral fluctuations that reflect the variations in elastic properties (e.g. Vp, Vs, density). Variations in physical rock properties exist at different scales and occasionally result in effective anisotropy in medium parameters. If the variations in rock properties can be characterized from existing information such as logs, then it becomes possible to incorporate this information in wave modeling algorithms to understand its impact on acquisition design, processing of seismic waves for velocity information, AVO analysis as well as reverse time migration (RTM) routines. This study evaluates some of these aspects by using transmitted (direct) waves. When the variations exist over large scale lengths, RTM can be successfully implemented on Vertical Seismic Profiling (VSP) data in order to image the interface between two inhomogeneities as well as characterize the velocity distribution beyond the borehole location. However, when the existing geology causes anisotropy in the variability of the physical rock properties, the use of transmitted waves becomes strongly dependent on the acquisition geometry. In this circumstance, travel time fluctuations are influenced by the strength of the perturbations of the elastic parameters and the direction with the least variability (large scale lengths) in these parameters. This has according implications for seismic imaging in hardrock environment as well microseismic imaging applications.

  12. Fluid dynamics of active heterogeneities in a mantle plume conduit

    NASA Astrophysics Data System (ADS)

    Farnetani, C. G.; Limare, A.; Hofmann, A. W.

    2015-12-01

    Laboratory experiments and numerical simulations indicate that the flow of a purely thermal plume preserves the azimuthal zonation of the source region, thus providing a framework to attribute a deep origin to the isotopic zonation of Hawaiian lavas. However, previous studies were limited to passive heterogeneities not affecting the flow. We go beyond this simplification by considering active heterogeneities which are compositionally denser, or more viscous, and we address the following questions: (1) How do active heterogeneities modify the axially symmetric velocity field of the plume conduit? (2) Under which conditions is the azimuthal zonation of the source region no longer preserved in the plume stem? (3) How do active heterogeneities deform during upwelling and what is their shape once at sublithospheric depths? We conducted both laboratory experiments, using a Particle Image Velocimetry (PIV) to calculate the velocity field, and high resolution three-dimensional simulations where millions of tracers keep track of the heterogeneous fluid. For compositionally denser heterogeneities we cover a range of buoyancy ratios 0heterogeneities, the range of viscosity ratios is 0<λ<20, where λ=ηheterogeneity/ηfluid and η is viscosity. The initial heterogeneity has the arbitrary shape of a sphere and we vary its volume and its distance from the plume axis. We find that by increasing λ, the shape of the heterogeneity changes from filament-like to blob-like characterized by internal rotation and little stretching. By increasing B the heterogeneity tends to spread at the base of the plume stem and to rise as a tendril close to the axis, so that the initial zonation may be poorly preserved. We also find that the plume velocity field can be profoundly modified by active heterogeneities, and we explore the relation between strain rates and the evolving shape of the upwelling heterogeneity.

  13. Total reflection of waves propagating from a rare isotropic medium to a dense anisotropic medium

    NASA Astrophysics Data System (ADS)

    Jen, Yi-Jun; Cheng, Yan-Ru

    2004-04-01

    The distribution diagram and the boundary conditions of wave vectors are used here to study the propagation of light between anisotropic media. Reflectance and transmittance are calculated according to the non-symmetric internal reflection phenomenon. Total reflection of light propagating from a rare medium to a dense medium may occur. Castillo and Ballinas' challenge of the correctness of Lin and Wu is adequate only in a particular case, and this study resolves both analyses by considering a more general case.

  14. Evaluation of path-history-based fluorescence Monte Carlo method for photon migration in heterogeneous media.

    PubMed

    Jiang, Xu; Deng, Yong; Luo, Zhaoyang; Wang, Kan; Lian, Lichao; Yang, Xiaoquan; Meglinski, Igor; Luo, Qingming

    2014-12-29

    The path-history-based fluorescence Monte Carlo method used for fluorescence tomography imaging reconstruction has attracted increasing attention. In this paper, we first validate the standard fluorescence Monte Carlo (sfMC) method by experimenting with a cylindrical phantom. Then, we describe a path-history-based decoupled fluorescence Monte Carlo (dfMC) method, analyze different perturbation fluorescence Monte Carlo (pfMC) methods, and compare the calculation accuracy and computational efficiency of the dfMC and pfMC methods using the sfMC method as a reference. The results show that the dfMC method is more accurate and efficient than the pfMC method in heterogeneous medium. PMID:25607163

  15. Spatial heterogeneity study of vegetation coverage at Heihe River Basin

    NASA Astrophysics Data System (ADS)

    Wu, Lijuan; Zhong, Bo; Guo, Liyu; Zhao, Xiangwei

    2014-11-01

    Spatial heterogeneity of the animal-landscape system has three major components: heterogeneity of resource distributions in the physical environment, heterogeneity of plant tissue chemistry, heterogeneity of movement modes by the animal. Furthermore, all three different types of heterogeneity interact each other and can either reinforce or offset one another, thereby affecting system stability and dynamics. In previous studies, the study areas are investigated by field sampling, which costs a large amount of manpower. In addition, uncertain in sampling affects the quality of field data, which leads to unsatisfactory results during the entire study. In this study, remote sensing data is used to guide the sampling for research on heterogeneity of vegetation coverage to avoid errors caused by randomness of field sampling. Semi-variance and fractal dimension analysis are used to analyze the spatial heterogeneity of vegetation coverage at Heihe River Basin. The spherical model with nugget is used to fit the semivariogram of vegetation coverage. Based on the experiment above, it is found, (1)there is a strong correlation between vegetation coverage and distance of vegetation populations within the range of 0~28051.3188m at Heihe River Basin, but the correlation loses suddenly when the distance greater than 28051.3188m. (2)The degree of spatial heterogeneity of vegetation coverage at Heihe River Basin is medium. (3)Spatial distribution variability of vegetation occurs mainly on small scales. (4)The degree of spatial autocorrelation is 72.29% between 25% and 75%, which means that spatial correlation of vegetation coverage at Heihe River Basin is medium high.

  16. Atmospheric Heterogeneous Stereochemistry

    NASA Astrophysics Data System (ADS)

    Stokes, G. Y.; Buchbinder, A. M.; Geiger, F. M.

    2009-12-01

    This paper addresses the timescale and mechanism of heterogeneous interactions of laboratory models of organic-coated mineral dust and ozone. We are particularly interested in investigating the role of stereochemistry in heterogeneous oxidation reactions involving chiral biogenic VOCs. Using the surface-specific nonlinear optical spectroscopy, sum frequency generation, we tracked terpene diastereomers during exposure to 10^11 to 10^13 molecules of ozone per cm^3 in 1 atm helium to model ozone-limited and ozone-rich tropospheric conditions. Our kinetic data indicate that the diastereomers which orient their reactive C=C double bonds towards the gas phase exhibit heterogeneous ozonolysis rate constants that are two times faster than diastereomers that orient their C=C double bonds away from the gas phase. Insofar as our laboratory model studies are representative of real world environments, our studies suggest that the propensity of aerosol particles coated with chiral semivolatile organic compounds to react with ozone may depend on stereochemistry. Implications of these results for chiral markers that would allow for source appointment of anthropogenic versus biogenic carbon emissions will be discussed.

  17. Heterogeneities in granular dynamics.

    PubMed

    Mehta, A; Barker, G C; Luck, J M

    2008-06-17

    The absence of Brownian motion in granular media is a source of much complexity, including the prevalence of heterogeneity, whether static or dynamic, within a given system. Such strong heterogeneities can exist as a function of depth in a box of grains; this is the system we study here. First, we present results from three-dimensional, cooperative and stochastic Monte Carlo shaking simulations of spheres on heterogeneous density fluctuations. Next, we juxtapose these with results obtained from a theoretical model of a column of grains under gravity; frustration via competing local fields is included in our model, whereas the effect of gravity is to slow down the dynamics of successively deeper layers. The combined conclusions suggest that the dynamics of a real granular column can be divided into different phases-ballistic, logarithmic, activated, and glassy-as a function of depth. The nature of the ground states and their retrieval (under zero-temperature dynamics) is analyzed; the glassy phase shows clear evidence of its intrinsic ("crystalline") states, which lie below a band of approximately degenerate ground states. In the other three phases, by contrast, the system jams into a state chosen randomly from this upper band of metastable states. PMID:18541918

  18. Heterogeneity in Melanoma.

    PubMed

    Shannan, Batool; Perego, Michela; Somasundaram, Rajasekharan; Herlyn, Meenhard

    2016-01-01

    Melanoma is among the most aggressive and therapy-resistant human cancers. While great strides in therapy have generated enthusiasm, many challenges remain. Heterogeneity is the most pressing issue for all types of therapy. This chapter summarizes the clinical classification of melanoma, of which the research community now adds additional layers of classifications for better diagnosis and prediction of therapy response. As the search for new biomarkers increases, we expect that biomarker analyses will be essential for all clinical trials to better select patient populations for optimal therapy. While individualized therapy that is based on extensive biomarker analyses is an option, we expect in the future genetic and biologic biomarkers will allow grouping of melanomas in such a way that we can predict therapy outcome. At this time, tumor heterogeneity continues to be the major challenge leading inevitably to relapse. To address heterogeneity therapeutically, we need to develop complex therapies that eliminate the bulk of the tumor and, at the same time, the critical subpopulations. PMID:26601857

  19. The violent interstellar medium

    NASA Technical Reports Server (NTRS)

    Mccray, R.; Snow, T. P., Jr.

    1979-01-01

    Observational evidence for high-velocity and high-temperature interstellar gas is reviewed. The physical processes that characterize this gas are described, including the ionization and emissivity of coronal gas, the behavior and appearance of high-velocity shocks, and interfaces between coronal gas and cooler interstellar gas. Hydrodynamical models for the action of supernova explosions and stellar winds on the interstellar medium are examined, and recent attempts to synthesize all the processes considered into a global model for the interstellar medium are discussed.

  20. Measuring habitat heterogeneity reveals new insights into bird community composition.

    PubMed

    Stirnemann, Ingrid A; Ikin, Karen; Gibbons, Philip; Blanchard, Wade; Lindenmayer, David B

    2015-03-01

    Fine-scale vegetation cover is a common variable used to explain animal occurrence, but we know less about the effects of fine-scale vegetation heterogeneity. Theoretically, fine-scale vegetation heterogeneity is an important driver of biodiversity because it captures the range of resources available in a given area. In this study we investigated how bird species richness and birds grouped by various ecological traits responded to vegetation cover and heterogeneity. We found that both fine-scale vegetation cover (of tall trees, medium-sized trees and shrubs) and heterogeneity (of tall trees, and shrubs) were important predictors of bird richness, but the direction of the response of bird richness to shrub heterogeneity differed between sites with different proportions of tall tree cover. For example, bird richness increased with shrub heterogeneity in sites with high levels of tall tree cover, but declined in sites with low levels of tall tree cover. Our findings indicated that an increase in vegetation heterogeneity will not always result in an increase in resources and niches, and associated higher species richness. We also found birds grouped by traits responded in a predictable way to vegetation heterogeneity. For example, we found small birds benefited from increased shrub heterogeneity supporting the textual discontinuity hypothesis and non-arboreal (ground or shrub) nesting species were associated with high vegetation cover (low heterogeneity). Our results indicated that focusing solely on increasing vegetation cover (e.g. through restoration) may be detrimental to particular animal groups. Findings from this investigation can help guide habitat management for different functional groups of birds. PMID:25376157

  1. Holographic recording medium

    NASA Technical Reports Server (NTRS)

    Gange, Robert Allen (Inventor)

    1977-01-01

    A holographic recording medium comprising a conductive substrate, a photoconductive layer and an electrically alterable layer of a linear, low molecular weight hydrocarbon polymer has improved fatigue resistance. An acrylic barrier layer can be interposed between the photoconductive and electrically alterable layers.

  2. Hypermedia as medium

    NASA Technical Reports Server (NTRS)

    Dede, Christopher J.

    1990-01-01

    Claims and rebuttals that hypermedia (the associative, nonlinear interconnection of multimedia materials) is a fundamentally innovative means of thinking and communicating are described. This representational architecture has many advantages that make it a major advance over other media; however, it also has several intrinsic problems that severly limits its effectiveness as a medium. These advantages and limits in applications are discussed.

  3. Soft random solids and their heterogeneous elasticity.

    PubMed

    Mao, Xiaoming; Goldbart, Paul M; Xing, Xiangjun; Zippelius, Annette

    2009-09-01

    Spatial heterogeneity in the elastic properties of soft random solids is examined via vulcanization theory. The spatial heterogeneity in the structure of soft random solids is a result of the fluctuations locked-in at their synthesis, which also brings heterogeneity in their elastic properties. Vulcanization theory studies semimicroscopic models of random-solid-forming systems and applies replica field theory to deal with their quenched disorder and thermal fluctuations. The elastic deformations of soft random solids are argued to be described by the Goldstone sector of fluctuations contained in vulcanization theory, associated with a subtle form of spontaneous symmetry breaking that is associated with the liquid-to-random-solid transition. The resulting free energy of this Goldstone sector can be reinterpreted as arising from a phenomenological description of an elastic medium with quenched disorder. Through this comparison, we arrive at the statistics of the quenched disorder of the elasticity of soft random solids in terms of residual stress and Lamé-coefficient fields. In particular, there are large residual stresses in the equilibrium reference state, and the disorder correlators involving the residual stress are found to be long ranged and governed by a universal parameter that also gives the mean shear modulus. PMID:19905095

  4. Soft random solids and their heterogeneous elasticity

    NASA Astrophysics Data System (ADS)

    Mao, Xiaoming; Goldbart, Paul M.; Xing, Xiangjun; Zippelius, Annette

    2009-09-01

    Spatial heterogeneity in the elastic properties of soft random solids is examined via vulcanization theory. The spatial heterogeneity in the structure of soft random solids is a result of the fluctuations locked-in at their synthesis, which also brings heterogeneity in their elastic properties. Vulcanization theory studies semimicroscopic models of random-solid-forming systems and applies replica field theory to deal with their quenched disorder and thermal fluctuations. The elastic deformations of soft random solids are argued to be described by the Goldstone sector of fluctuations contained in vulcanization theory, associated with a subtle form of spontaneous symmetry breaking that is associated with the liquid-to-random-solid transition. The resulting free energy of this Goldstone sector can be reinterpreted as arising from a phenomenological description of an elastic medium with quenched disorder. Through this comparison, we arrive at the statistics of the quenched disorder of the elasticity of soft random solids in terms of residual stress and Lamé-coefficient fields. In particular, there are large residual stresses in the equilibrium reference state, and the disorder correlators involving the residual stress are found to be long ranged and governed by a universal parameter that also gives the mean shear modulus.

  5. Calculation of large scale relative permeabilities from stochastic properties of the permeability field and fluid properties

    SciTech Connect

    Lenormand, R.; Thiele, M.R.

    1997-08-01

    The paper describes the method and presents preliminary results for the calculation of homogenized relative permeabilities using stochastic properties of the permeability field. In heterogeneous media, the spreading of an injected fluid is mainly sue to the permeability heterogeneity and viscosity fingering. At large scale, when the heterogeneous medium is replaced by a homogeneous one, we need to introduce a homogenized (or pseudo) relative permeability to obtain the same spreading. Generally, is derived by using fine-grid numerical simulations (Kyte and Berry). However, this operation is time consuming and cannot be performed for all the meshes of the reservoir. We propose an alternate method which uses the information given by the stochastic properties of the field without any numerical simulation. The method is based on recent developments on homogenized transport equations (the {open_quotes}MHD{close_quotes} equation, Lenormand SPE 30797). The MHD equation accounts for the three basic mechanisms of spreading of the injected fluid: (1) Dispersive spreading due to small scale randomness, characterized by a macrodispersion coefficient D. (2) Convective spreading due to large scale heterogeneities (layers) characterized by a heterogeneity factor H. (3) Viscous fingering characterized by an apparent viscosity ration M. In the paper, we first derive the parameters D and H as functions of variance and correlation length of the permeability field. The results are shown to be in good agreement with fine-grid simulations. The are then derived a function of D, H and M. The main result is that this approach lead to a time dependent . Finally, the calculated are compared to the values derived by history matching using fine-grid numerical simulations.

  6. Root Foraging Increases Performance of the Clonal Plant Potentilla reptans in Heterogeneous Nutrient Environments

    PubMed Central

    Wang, Zhengwen; van Kleunen, Mark; During, Heinjo J.; Werger, Marinus J. A.

    2013-01-01

    Background Plastic root-foraging responses have been widely recognized as an important strategy for plants to explore heterogeneously distributed resources. However, the benefits and costs of root foraging have received little attention. Methodology/Principal Findings In a greenhouse experiment, we grew pairs of connected ramets of 22 genotypes of the stoloniferous plant Potentilla reptans in paired pots, between which the contrast in nutrient availability was set as null, medium and high, but with the total nutrient amount kept the same. We calculated root-foraging intensity of each individual ramet pair as the difference in root mass between paired ramets divided by the total root mass. For each genotype, we then calculated root-foraging ability as the slope of the regression of root-foraging intensity against patch contrast. For all genotypes, root-foraging intensity increased with patch contrast and the total biomass and number of offspring ramets were lowest at high patch contrast. Among genotypes, root-foraging intensity was positively related to production of offspring ramets and biomass in the high patch-contrast treatment, which indicates an evolutionary benefit of root foraging in heterogeneous environments. However, we found no significant evidence that the ability of plastic foraging imposes costs under homogeneous conditions (i.e. when foraging is not needed). Conclusions/Significance Our results show that plants of P. reptans adjust their root-foraging intensity according to patch contrast. Moreover, the results show that the root foraging has an evolutionary advantage in heterogeneous environments, while costs of having the ability of plastic root foraging were absent or very small. PMID:23472211

  7. Gravitational lensing in plasmic medium

    SciTech Connect

    Bisnovatyi-Kogan, G. S. Tsupko, O. Yu.

    2015-07-15

    The influence of plasma on different effects of gravitational lensing is reviewed. Using the Hamiltonian approach for geometrical optics in a medium in the presence of gravity, an exact formula for the photon deflection angle by a black hole (or another body with a Schwarzschild metric) embedded in plasma with a spherically symmetric density distribution is derived. The deflection angle in this case is determined by the mutual combination of different factors: gravity, dispersion, and refraction. While the effects of deflection by the gravity in vacuum and the refractive deflection in a nonhomogeneous medium are well known, the new effect is that, in the case of a homogeneous plasma, in the absence of refractive deflection, the gravitational deflection differs from the vacuum deflection and depends on the photon frequency. In the presence of a plasma nonhomogeneity, the chromatic refractive deflection also occurs, so the presence of plasma always makes gravitational lensing chromatic. In particular, the presence of plasma leads to different angular positions of the same image if it is observed at different wavelengths. It is discussed in detail how to apply the presented formulas for the calculation of the deflection angle in different situations. Gravitational lensing in plasma beyond the weak deflection approximation is also considered.

  8. Gravitational lensing in plasmic medium

    NASA Astrophysics Data System (ADS)

    Bisnovatyi-Kogan, G. S.; Tsupko, O. Yu.

    2015-07-01

    The influence of plasma on different effects of gravitational lensing is reviewed. Using the Hamiltonian approach for geometrical optics in a medium in the presence of gravity, an exact formula for the photon deflection angle by a black hole (or another body with a Schwarzschild metric) embedded in plasma with a spherically symmetric density distribution is derived. The deflection angle in this case is determined by the mutual combination of different factors: gravity, dispersion, and refraction. While the effects of deflection by the gravity in vacuum and the refractive deflection in a nonhomogeneous medium are well known, the new effect is that, in the case of a homogeneous plasma, in the absence of refractive deflection, the gravitational deflection differs from the vacuum deflection and depends on the photon frequency. In the presence of a plasma nonhomogeneity, the chromatic refractive deflection also occurs, so the presence of plasma always makes gravitational lensing chromatic. In particular, the presence of plasma leads to different angular positions of the same image if it is observed at different wavelengths. It is discussed in detail how to apply the presented formulas for the calculation of the deflection angle in different situations. Gravitational lensing in plasma beyond the weak deflection approximation is also considered.

  9. MEMS Calculator

    National Institute of Standards and Technology Data Gateway

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  10. H2 molecules and the intercloud medium

    NASA Technical Reports Server (NTRS)

    Hill, J. K.; Hollenbach, D. J.

    1976-01-01

    The paper discusses expected column densities of H2 in the intercloud medium and the possible use of molecules as indicators of intercloud physical conditions. Molecule formation by the H(-) process and on graphite grains is treated, and it is shown that the Barlow-Silk hypothesis of a 1-eV semichemical hydrogen-graphite bond leads to a large enhancement of the intercloud molecule-formation rate. Rotational-excitation calculations are presented for both cloud and intercloud conditions which show, in agreement with Jura (1975), that the presently observed optically thin H2 absorption components are more likely to originate in cold clouds than in the intercloud medium.

  11. Hadrons in the Nuclear Medium

    SciTech Connect

    S. Strauch, S. Malace, M. Paolone

    2011-11-01

    Nucleon properties are modified in the nuclear medium. To understand these modifications and their origin is a central issue in nuclear physics. For example, a wide variety of QCD-based models, including quark-meson coupling and chiral-quark soliton models, predict that the nuclear constituents change properties with increasing density. These changes are predicted to lead to observable changes in the nucleon structure functions and electromagnetic form factors. We present results from a series of recent experiments at MAMI and Jefferson Lab, which measured the proton recoil polarization in the {sup 4}He({rvec e},e{prime}{rvec p}){sup 3}H reaction to test these predictions. These results, with the most precise data at Q{sup 2} = 0.8 (GeV/c){sup 2} and at 1.3 (GeV/c){sup 2} from E03-104, put strong constraints on available model calculations, such that below Q{sup 2} = 1.3 (GeV/c){sup 2} the measured ratios of polarization-transfer are successfully described in a fully relativistic calculation when including a medium modification of the proton form factors or, alternatively, by strong charge-exchange final-state interactions. We also discuss possible extensions of these studies with measurements of the {sup 4}He({rvec e},e{prime}{rvec p}){sup 3}H and {sup 2}H({rvec e},e{prime}{rvec p})n reactions as well as with the neutron knockout in {sup 4}He({rvec e},e{prime}{rvec n}){sup 3}He.

  12. Pore scale heterogeneity in the mineral distribution and surface area of porous rocks

    NASA Astrophysics Data System (ADS)

    Lai, Peter; Moulton, Kevin; Krevor, Samuel

    2014-05-01

    There are long-standing challenges in characterizing reactive transport in porous media at scales larger than individual pores. This hampers the prediction of the field-scale impact of geochemical processes on fluid flow [1]. This is a source of uncertainty for carbon dioxide injection, which results in a reactive fluid-rock system, particularly in carbonate rock reservoirs. A potential cause is the inability of the continuum approach to incorporate the impact of heterogeneity in pore-scale reaction rates. This results in part from pore-scale heterogeneities in surface area of reactive minerals [2,3]. The objective of this study was to quantify heterogeneity in reactive surface and observe the extent of its non-normal character. In this study we describe our work in using micron-scale x-ray imaging and other spectroscopic techniques for the purpose of describing the statistical distribution of reactive surface area within a porous medium, and identifying specific mineral phases and their distribution in 3-dimensions. Using in-house image processing techniques and auxilary charactersation with thin section, electron microscope and spectroscopic techniques we quantified the surface area of each mineral phase in the x-ray CT images. This quantification was validated against nitrogen BET surface area and backscattered electron imaging measurements of the CT-imaged samples. Distributions in reactive surface area for each mineral phase were constructed by calculating surface areas in thousands of randomly selected subvolume images of the total sample, each normalized to the pore volume in that image. In all samples, there is little correlation between the reactive surface area fraction and the volumetric fraction of a mineral in a bulk rock. Berea sandstone was far less heterogeneous and has a characteristic pore size at which a surface area distribution may be used to quantify heterogeneity. In carbonates, heterogeneity is more complex and surface area must be

  13. Report of the Task Group 186 on model-based dose calculation methods in brachytherapy beyond the TG-43 formalism: Current status and recommendations for clinical implementation

    SciTech Connect

    Beaulieu, Luc; Carlsson Tedgren, Asa; Carrier, Jean-Francois; and others

    2012-10-15

    The charge of Task Group 186 (TG-186) is to provide guidance for early adopters of model-based dose calculation algorithms (MBDCAs) for brachytherapy (BT) dose calculations to ensure practice uniformity. Contrary to external beam radiotherapy, heterogeneity correction algorithms have only recently been made available to the BT community. Yet, BT dose calculation accuracy is highly dependent on scatter conditions and photoelectric effect cross-sections relative to water. In specific situations, differences between the current water-based BT dose calculation formalism (TG-43) and MBDCAs can lead to differences in calculated doses exceeding a factor of 10. MBDCAs raise three major issues that are not addressed by current guidance documents: (1) MBDCA calculated doses are sensitive to the dose specification medium, resulting in energy-dependent differences between dose calculated to water in a homogeneous water geometry (TG-43), dose calculated to the local medium in the heterogeneous medium, and the intermediate scenario of dose calculated to a small volume of water in the heterogeneous medium. (2) MBDCA doses are sensitive to voxel-by-voxel interaction cross sections. Neither conventional single-energy CT nor ICRU/ICRP tissue composition compilations provide useful guidance for the task of assigning interaction cross sections to each voxel. (3) Since each patient-source-applicator combination is unique, having reference data for each possible combination to benchmark MBDCAs is an impractical strategy. Hence, a new commissioning process is required. TG-186 addresses in detail the above issues through the literature review and provides explicit recommendations based on the current state of knowledge. TG-43-based dose prescription and dose calculation remain in effect, with MBDCA dose reporting performed in parallel when available. In using MBDCAs, it is recommended that the radiation transport should be performed in the heterogeneous medium and, at minimum, the dose to

  14. Report of the Task Group 186 on model-based dose calculation methods in brachytherapy beyond the TG-43 formalism: current status and recommendations for clinical implementation.

    PubMed

    Beaulieu, Luc; Carlsson Tedgren, Asa; Carrier, Jean-Francois; Davis, Stephen D; Mourtada, Firas; Rivard, Mark J; Thomson, Rowan M; Verhaegen, Frank; Wareing, Todd A; Williamson, Jeffrey F

    2012-10-01

    The charge of Task Group 186 (TG-186) is to provide guidance for early adopters of model-based dose calculation algorithms (MBDCAs) for brachytherapy (BT) dose calculations to ensure practice uniformity. Contrary to external beam radiotherapy, heterogeneity correction algorithms have only recently been made available to the BT community. Yet, BT dose calculation accuracy is highly dependent on scatter conditions and photoelectric effect cross-sections relative to water. In specific situations, differences between the current water-based BT dose calculation formalism (TG-43) and MBDCAs can lead to differences in calculated doses exceeding a factor of 10. MBDCAs raise three major issues that are not addressed by current guidance documents: (1) MBDCA calculated doses are sensitive to the dose specification medium, resulting in energy-dependent differences between dose calculated to water in a homogeneous water geometry (TG-43), dose calculated to the local medium in the heterogeneous medium, and the intermediate scenario of dose calculated to a small volume of water in the heterogeneous medium. (2) MBDCA doses are sensitive to voxel-by-voxel interaction cross sections. Neither conventional single-energy CT nor ICRU∕ICRP tissue composition compilations provide useful guidance for the task of assigning interaction cross sections to each voxel. (3) Since each patient-source-applicator combination is unique, having reference data for each possible combination to benchmark MBDCAs is an impractical strategy. Hence, a new commissioning process is required. TG-186 addresses in detail the above issues through the literature review and provides explicit recommendations based on the current state of knowledge. TG-43-based dose prescription and dose calculation remain in effect, with MBDCA dose reporting performed in parallel when available. In using MBDCAs, it is recommended that the radiation transport should be performed in the heterogeneous medium and, at minimum, the dose

  15. Liquid chromatographic extraction medium

    DOEpatents

    Horwitz, E.P.; Dietz, M.L.

    1994-09-13

    A method and apparatus are disclosed for extracting strontium and technetium values from biological, industrial and environmental sample solutions using a chromatographic column. An extractant medium for the column is prepared by generating a solution of a diluent containing a Crown ether and dispersing the solution on a resin substrate material. The sample solution is highly acidic and is introduced directed to the chromatographic column and strontium or technetium is eluted using deionized water. 1 fig.

  16. Liquid chromatographic extraction medium

    DOEpatents

    Horwitz, E. Philip; Dietz, Mark L.

    1994-01-01

    A method and apparatus for extracting strontium and technetium values from biological, industrial and environmental sample solutions using a chromatographic column is described. An extractant medium for the column is prepared by generating a solution of a diluent containing a Crown ether and dispersing the solution on a resin substrate material. The sample solution is highly acidic and is introduced directed to the chromatographic column and strontium or technetium is eluted using deionized water.

  17. Heterogeneity in expected longevities.

    PubMed

    Pijoan-Mas, Josep; Ríos-Rull, José-Víctor

    2014-12-01

    We develop a new methodology to compute differences in the expected longevity of individuals of a given cohort who are in different socioeconomic groups at a certain age. We address the two main problems associated with the standard use of life expectancy: (1) that people's socioeconomic characteristics change, and (2) that mortality has decreased over time. Our methodology uncovers substantial heterogeneity in expected longevities, yet much less heterogeneity than what arises from the naive application of life expectancy formulae. We decompose the longevity differences into differences in health at age 50, differences in the evolution of health with age, and differences in mortality conditional on health. Remarkably, education, wealth, and income are health-protecting but have very little impact on two-year mortality rates conditional on health. Married people and nonsmokers, however, benefit directly in their immediate mortality. Finally, we document an increasing time trend of the socioeconomic gradient of longevity in the period 1992-2008, and we predict an increase in the socioeconomic gradient of mortality rates for the coming years. PMID:25391225

  18. Heterogeneous broadband network

    NASA Astrophysics Data System (ADS)

    Dittmann, Lars

    1995-11-01

    Although the vision for the future Integrated Broadband Communication Network (IBCN) is an all optical network, it is certain that for a long period to come, the network will remain very heterogeneous, with a mixture of different physical media (fiber, coax and twisted pair), transmission systems (PDH, SDH, ADSL) and transport protocols (TCP/IP, AAL/ATM, frame relay). In the current work towards the IBCN, the ATM concept is considered the generic network protocol for both public and private network, with the ability to use different underlying transmission protocols and, through adaptation protocols, provide the appropriate services (old as well as new) to the customer. One of the major difficulties of heterogeneous network is the restriction that is usually given by the lowest common denominator, e.g. in terms of single channel capacity. A possible way to overcome these limitations is by extending the ATM concept with a multilink capability, that allows us to use separate resources as one common. The improved flexibility obtained by this protocol extension further allows a real time optimization of network and call configuration, without any impact on the quality of service seen from the user. This paper describes an example of an ATM based multilink protocol that has been experimentally implemented within the RACE project 'STRATOSPHERIC'. The paper outlines the complexity of introducing an extra network functionality compared with the added value, such as an improved ability to recover an error due to a malfunctioning network component.

  19. Biclustering with heterogeneous variance.

    PubMed

    Chen, Guanhua; Sullivan, Patrick F; Kosorok, Michael R

    2013-07-23

    In cancer research, as in all of medicine, it is important to classify patients into etiologically and therapeutically relevant subtypes to improve diagnosis and treatment. One way to do this is to use clustering methods to find subgroups of homogeneous individuals based on genetic profiles together with heuristic clinical analysis. A notable drawback of existing clustering methods is that they ignore the possibility that the variance of gene expression profile measurements can be heterogeneous across subgroups, and methods that do not consider heterogeneity of variance can lead to inaccurate subgroup prediction. Research has shown that hypervariability is a common feature among cancer subtypes. In this paper, we present a statistical approach that can capture both mean and variance structure in genetic data. We demonstrate the strength of our method in both synthetic data and in two cancer data sets. In particular, our method confirms the hypervariability of methylation level in cancer patients, and it detects clearer subgroup patterns in lung cancer data. PMID:23836637

  20. Culture Medium for Enterobacteria

    PubMed Central

    Neidhardt, Frederick C.; Bloch, Philip L.; Smith, David F.

    1974-01-01

    A new minimal medium for enterobacteria has been developed. It supports growth of Escherichia coli and Salmonella typhimurium at rates comparable to those of any of the traditional media that have high phosphate concentrations, but each of the macronutrients (phosphate, sulfate, and nitrogen) is present at a sufficiently low level to permit isotopic labeling. Buffering capacity is provided by an organic dipolar ion, morpholinopropane sulfonate, which has a desirable pK (7.2) and no apparent inhibitory effect on growth. The medium has been developed with the objectives of (i) providing reproducibility of chemical composition, (ii) meeting the experimentally determined nutritional needs of the cell, (iii) avoiding an unnecessary excess of the major ionic species, (iv) facilitating the adjustment of the levels of individual ionic species, both for isotopic labeling and for nutritional studies, (v) supplying a complete array of micronutrients, (vi) setting a particular ion as the crop-limiting factor when the carbon and energy source is in excess, and (vii) providing maximal convenience in the manufacture and storage of the medium. PMID:4604283

  1. Waves in Interstellar Medium

    NASA Astrophysics Data System (ADS)

    Kamaya, H.

    1998-03-01

    Many hydrodynamical researches have been developed. Especially, analysis of the compressible flow is significantly improved by interstellar physicists. To obtain sufficient appreciation, we should not analyze only the effect of self-gravity of the system but also consider the property of inhomogeneity of the interstellar medium. I stress that another hydrodynamical approach is appreciated. That is the multi-phase-flow method. In the astrophysical context, there are few preliminary works of it. I intend to develop it in more suitable method for the interstellar physics. This dissertation is only the first step for me. But, fundamental properties of the multi-phase-flow are presented, considering the effect of compressibility, self-(and/or mutual) gravity, and friction between two phases. All of these properties are generally important to examine the origin, destruction and the global distribution of interstellar medium. My motivation is trying to delve into the global properties of the interstellar medium. The method of multi-phase-flow has great advantage for my aim, and its usefulness has been shown in this thesis.

  2. Large epidemic thresholds emerge in heterogeneous networks of heterogeneous nodes

    NASA Astrophysics Data System (ADS)

    Yang, Hui; Tang, Ming; Gross, Thilo

    2015-08-01

    One of the famous results of network science states that networks with heterogeneous connectivity are more susceptible to epidemic spreading than their more homogeneous counterparts. In particular, in networks of identical nodes it has been shown that network heterogeneity, i.e. a broad degree distribution, can lower the epidemic threshold at which epidemics can invade the system. Network heterogeneity can thus allow diseases with lower transmission probabilities to persist and spread. However, it has been pointed out that networks in which the properties of nodes are intrinsically heterogeneous can be very resilient to disease spreading. Heterogeneity in structure can enhance or diminish the resilience of networks with heterogeneous nodes, depending on the correlations between the topological and intrinsic properties. Here, we consider a plausible scenario where people have intrinsic differences in susceptibility and adapt their social network structure to the presence of the disease. We show that the resilience of networks with heterogeneous connectivity can surpass those of networks with homogeneous connectivity. For epidemiology, this implies that network heterogeneity should not be studied in isolation, it is instead the heterogeneity of infection risk that determines the likelihood of outbreaks.

  3. Positron annihilation in the interstellar medium

    NASA Technical Reports Server (NTRS)

    Guessoum, Nidhal; Ramaty, Reuven; Lingenfelter, Richard E.

    1991-01-01

    Positronium formation and annihilation are studied in a model for the interstellar medium consisting of cold cloud cores, warm partially ionized cloud envelopes, and hot intercloud gas. The gamma-ray spectra resulting from positron annihilation in these components of the interstellar medium are calculated. The spectra from the individual components are then combined, using two limiting assumptions for the propagation of the positrons, namely, that the positrons propagate freely throughout the interstellar medium, and that the positrons are excluded from the cold cloud cores. In the first case, the bulk of the positrons annihilate in the cloud cores and the annihilation line exhibits broad wings resulting from the annihilation of positronium formed by charge exchange in flight. In the second case, the positrons annihilate mainly in the warm envelopes, and the line wings are suppressed.

  4. Scaling properties of conduction velocity in heterogeneous excitable media

    NASA Astrophysics Data System (ADS)

    Shajahan, T. K.; Borek, Bartłomiej; Shrier, Alvin; Glass, Leon

    2011-10-01

    Waves of excitation through excitable media, such as cardiac tissue, can propagate as plane waves or break up to form reentrant spiral waves. In diseased hearts reentrant waves can be associated with fatal cardiac arrhythmias. In this paper we investigate the conditions that lead to wave break, reentry, and propagation failure in mathematical models of heterogeneous excitable media. Two types of heterogeneities are considered: sinks are regions in space in which the voltage is fixed at its rest value, and breaks are nonconducting regions with no-flux boundary conditions. We find that randomly distributed heterogeneities in the medium have a decremental effect on the velocity, and above a critical density of such heterogeneities the conduction fails. Using numerical and analytical methods we derive the general relationship among the conduction velocity, density of heterogeneities, diffusion coefficient, and the rise time of the excitation in both two and three dimensions. This work helps us understand the factors leading to reduced propagation velocity and the formation of spiral waves in heterogeneous excitable media.

  5. Adsorption of lead at variable pH onto a natural porous medium: Modeling of batch and column experiments

    SciTech Connect

    Papini, M.P.; Kahie, Y.D.; Troia, B.; Majone, M.

    1999-12-15

    The surface complexation approach has been applied to describe the adsorption of lead and proton onto a heterogeneous natural porous medium at constant ionic strength. Acid-base titration experiments were used to determine the minimum number of sites needed to describe the surface heterogeneity. Lead adsorption tests at several pH and total lead concentration were used to complete the model structure, whose adjustable parameters (site concentration and apparent formation constants) were determined by nonlinear multivariate regression of titration and adsorption data. The final model represents the acid-base properties of the surface by the presence of two amphoteric sites, SOH and TOH, and a monoprotic one, MOH; whereas lead adsorption is considered only onto SOH and MOH sites. The model allows a good representation of the experimental behavior in the whole experimental range. Theoretical surface speciation shows that lead adsorption occurs mostly onto site MOH at low pH level and on both SOH and MOH sites at higher values. The model was independently validated by simulating Pb and pH breakthrough experiments performed in small chromatographic columns. Experimental breakthroughs are well predicted by an advection-dispersion transport model coupled with the chemical equilibrium routine (IMPACT), without any parameter adjustment. A large spreading of Pb and pH breakthroughs was calculated and experimentally observed, even in the absence of any kinetic effect. That spreading is explained in terms of the concomitant presence of competitive adsorption and surface heterogeneity.

  6. Simple model to study heterogeneous electrocatalysts

    NASA Astrophysics Data System (ADS)

    Franco-Junior, Edison; Lopes, Ana Carolina G.; Suffredini, Hugo B.; Homem-de-Mello, Paula

    2015-01-01

    New electrocatalyst materials have been proposed to increase the performance of fuel cells. Experimental studies show that Pt and Pb metallic and oxide materials are quite efficient in the oxidation of alcohols and small organic molecules such as formic acid in advanced fuel cells. This work proposes a model for studying morphologically heterogeneous catalysts through quantum chemistry methods such as density functional calculations. For testing the model, we have experimentally studied the adsorption of small organic molecules, namely formic acid and methanol, on Pt and Pb electrodes. All methodologies we have tested can be employed for this kind of study, but M06 functional results correlate best with previous simulations of homogeneous catalysts and with experimental data obtained for homogeneous and heterogeneous electrodes. Our model indicates that the presence of a Pt-Pb interface is responsible for higher adsorption energies of these molecules, most likely due to the orientation of the organic molecules that should facilitate the oxidation process.

  7. Adaptation Driven by Spatial Heterogeneities

    NASA Astrophysics Data System (ADS)

    Hermsen, Rutger

    2011-03-01

    Biological evolution and ecology are intimately linked, because the reproductive success or ``fitness'' of an organism depends crucially on its ecosystem. Yet, most models of evolution (or population genetics) consider homogeneous, fixed-size populations subjected to a constant selection pressure. To move one step beyond such ``mean field'' descriptions, we discuss stochastic models of evolution driven by spatial heterogeneity. We imagine a population whose range is limited by a spatially varying environmental parameter, such as a temperature or the concentration of an antibiotic drug. Individuals in the population replicate, die and migrate stochastically. Also, by mutation, they can adapt to the environmental stress and expand their range. This way, adaptation and niche expansion go hand in hand. This mode of evolution is qualitatively different from the usual notion of a population climbing a fitness gradient. We analytically calculate the rate of adaptation by solving a first passage time problem. Interestingly, the joint effects of reproduction, death, mutation and migration result in two distinct parameter regimes depending on the relative time scales of mutation and migration. We argue that the proposed scenario may be relevant for the rapid evolution of antibiotic resistance. This work was supported by the Center for Theoretical Biological Physics sponsored by the National Science Foundation (NSF) (Grant PHY-0822283).

  8. [Neutrophilic functional heterogeneity].

    PubMed

    2006-02-01

    Blood neutrophilic functional heterogeneity is under discussion. The neutrophils of one subpopulation, namely killer neutrophils (Nk), potential phagocytes, constitute a marginal pool and a part of the circulating pool, intensively produce active oxygen forms (AOF) and they are adherent to the substrate. The neutrophils of another subpopulation, cager neutrophils (Nc), seem to perform a transport function of delivering foreign particles to the competent organs, to form about half of the circulating pool, to produce APC to a lesser extent, exclusively for self-defense and, probably, in usual conditions, to fail to interact with substrate. Analysis of the experimental findings suggests that the phylogenetic age of Nk is older than that of Nc and Nk has predominantly a tendency to spontaneous apoptosis under physiological conditions. PMID:16610631

  9. Multipartite entanglement in heterogeneous systems

    NASA Astrophysics Data System (ADS)

    Goyeneche, Dardo; Bielawski, Jakub; Życzkowski, Karol

    2016-07-01

    Heterogeneous bipartite quantum pure states, composed of two subsystems with a different number of levels, cannot have both reductions maximally mixed. In this work, we demonstrate the existence of a wide range of highly entangled states of heterogeneous multipartite systems consisting of N >2 parties such that every reduction to one and two parties is maximally mixed. Two constructions of generating genuinely multipartite maximally entangled states of heterogeneous systems for an arbitrary number of subsystems are presented. Such states are related to quantum error correction codes over mixed alphabets and mixed orthogonal arrays. Additionally, we show the advantages of considering heterogeneous systems in practical implementations of multipartite steering.

  10. Interconnecting heterogeneous database management systems

    NASA Technical Reports Server (NTRS)

    Gligor, V. D.; Luckenbaugh, G. L.

    1984-01-01

    It is pointed out that there is still a great need for the development of improved communication between remote, heterogeneous database management systems (DBMS). Problems regarding the effective communication between distributed DBMSs are primarily related to significant differences between local data managers, local data models and representations, and local transaction managers. A system of interconnected DBMSs which exhibit such differences is called a network of distributed, heterogeneous DBMSs. In order to achieve effective interconnection of remote, heterogeneous DBMSs, the users must have uniform, integrated access to the different DBMs. The present investigation is mainly concerned with an analysis of the existing approaches to interconnecting heterogeneous DBMSs, taking into account four experimental DBMS projects.