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Sample records for neutron diffusion theory

  1. Theory of Neutron Chain Reactions: Extracts from Volume I, Diffusion and Slowing Down of Neutrons: Chapter I. Elementary Theory of Neutron Diffusion. Chapter II. Second Order Diffusion Theory. Chapter III. Slowing Down of Neutrons

    DOE R&D Accomplishments Database

    Weinberg, Alvin M.; Noderer, L. C.

    1951-05-15

    The large scale release of nuclear energy in a uranium fission chain reaction involves two essentially distinct physical phenomena. On the one hand there are the individual nuclear processes such as fission, neutron capture, and neutron scattering. These are essentially quantum mechanical in character, and their theory is non-classical. On the other hand, there is the process of diffusion -- in particular, diffusion of neutrons, which is of fundamental importance in a nuclear chain reaction. This process is classical; insofar as the theory of the nuclear chain reaction depends on the theory of neutron diffusion, the mathematical study of chain reactions is an application of classical, not quantum mechanical, techniques.

  2. Cooperative learning of neutron diffusion and transport theories

    SciTech Connect

    Robinson, Michael A.

    1999-04-30

    A cooperative group instructional strategy is being used to teach a unit on neutron transport and diffusion theory in a first-year-graduate level, Reactor Theory course that was formerly presented in the traditional lecture/discussion style. Students are divided into groups of two or three for the duration of the unit. Class meetings are divided into traditional lecture/discussion segments punctuated by cooperative group exercises. The group exercises were designed to require the students to elaborate, summarize, or practice the material presented in the lecture/discussion segments. Both positive interdependence and individual accountability are fostered by adjusting individual grades on the unit exam by a factor dependent upon group achievement. Group collaboration was also encouraged on homework assignments by assigning each group a single grade on each assignment. The results of the unit exam have been above average in the two classes in which the cooperative group method was employed. In particular, the problem solving ability of the students has shown particular improvement. Further,the students felt that the cooperative group format was both more educationally effective and more enjoyable than the lecture/discussion format.

  3. An asymptotic homogenized neutron diffusion approximation. I. Theory

    SciTech Connect

    Trahan, T. J.; Larsen, E. W.

    2012-07-01

    A monoenergetic, homogenized, anisotropic diffusion equation is derived asymptotically for large, 3-D, multiplying systems with a periodic lattice structure. The primary assumption is that the system is slightly perturbed from an infinite, periodic lattice, and that the length scale of a lattice element is small relative to the total system size. The perturbed flux is slightly buckled, and the leading order term is the product of a slowly varying amplitude component, and a rapidly varying periodic component. The amplitude function is the solution to the homogenized diffusion equation, while the periodic component is the solution to the unperturbed, infinite system, and can be found using any high-order transport method. The first order term acts as a correction term, and makes it possible to obtain a zero flux extrapolation distance for the diffusion equation by applying the Marshak boundary condition. (authors)

  4. How useful is neutron diffusion theory for nuclear rocket engine design

    SciTech Connect

    Hilsmeier, T.A.; Aithal, S.M.; Aldemir, T. )

    1992-01-01

    Correct modeling of neutron leakage and geometry effects is important in the design of a nuclear rocket engine because of the need for small reactor cores in space applications. In principle, there are generalized procedures that can account for these effects in a reliable manner (e.g., a three-dimensional, continuous-energy Monte Carlo calculation with all core components explicitly modeled). However, these generalized procedures are not usually suitable for parametric design studies because of the long computational times required, and the feasibility of using faster running, more approrimate neutronic modeling approaches needs to be investigated. Faster running neutronic models are also needed for simulator development to assess the engine performance during startup and power level changes. This paper investigates the potential of the few-group diffusion approach for nuclear rocket engine core design and optimization by comparing the k[sub eff] and power distributions obtained by the MCNP code against those obtained from the LEOPARD and 2DB codes for the particle bed reactor (PBR) concept described. The PBRs have been identified as one of the two near-term options for nuclear thermal propulsion by the joint National Aeronautics and Space Administration (NASA)/US Department of Energy/US Department of Defense program that was recently set up at the NASA Lewis Research Center to develop a flight-rated nuclear rocket engine by the 2020s.

  5. A Dynamic Density Functional Theory Approach to Diffusion in White Dwarfs and Neutron Star Envelopes

    NASA Astrophysics Data System (ADS)

    Diaw, A.; Murillo, M. S.

    2016-09-01

    We develop a multicomponent hydrodynamic model based on moments of the Born-Bogolyubov-Green-Kirkwood-Yvon hierarchy equations for physical conditions relevant to astrophysical plasmas. These equations incorporate strong correlations through a density functional theory closure, while transport enters through a relaxation approximation. This approach enables the introduction of Coulomb coupling correction terms into the standard Burgers equations. The diffusive currents for these strongly coupled plasmas is self-consistently derived. The settling of impurities and its impact on cooling can be greatly affected by strong Coulomb coupling, which we show can be quantified using the direct correlation function.

  6. DIF3D nodal neutronics option for two- and three-dimensional diffusion theory calculations in hexagonal geometry. [LMFBR

    SciTech Connect

    Lawrence, R.D.

    1983-03-01

    A nodal method is developed for the solution of the neutron-diffusion equation in two- and three-dimensional hexagonal geometries. The nodal scheme has been incorporated as an option in the finite-difference diffusion-theory code DIF3D, and is intended for use in the analysis of current LMFBR designs. The nodal equations are derived using higher-order polynomial approximations to the spatial dependence of the flux within the hexagonal-z node. The final equations, which are cast in the form of inhomogeneous response-matrix equations for each energy group, involved spatial moments of the node-interior flux distribution plus surface-averaged partial currents across the faces of the node. These equations are solved using a conventional fission-source iteration accelerated by coarse-mesh rebalance and asymptotic source extrapolation. This report describes the mathematical development and numerical solution of the nodal equations, as well as the use of the nodal option and details concerning its programming structure. This latter information is intended to supplement the information provided in the separate documentation of the DIF3D code.

  7. Code System for Calculating the Radial and Axial Neutron Diffusion Coefficients in One-Group and Multigroup Theory.

    1985-10-10

    MARCOPOLO calculates the radial and axial diffusion coefficients in one-group and multi-group theory for a cylinderized cell (Wigner-Seitz theory) with several concentric zones according to the isotropic shock or linear anisotropic shock hypotheses.

  8. 3-D Deep Penetration Neutron Imaging of Thick Absorgin and Diffusive Objects Using Transport Theory

    SciTech Connect

    Ragusa, Jean; Bangerth, Wolfgang

    2011-08-01

    here explores the inverse problem of optical tomography applied to heterogeneous domains. The neutral particle transport equation was used as the forward model for how neutral particles stream through and interact within these heterogeneous domains. A constrained optimization technique that uses Newtons method served as the basis of the inverse problem. Optical tomography aims at reconstructing the material properties using (a) illuminating sources and (b) detector readings. However, accurate simulations for radiation transport require that the particle (gamma and/or neutron) energy be appropriate discretize in the multigroup approximation. This, in turns, yields optical tomography problems where the number of unknowns grows (1) about quadratically with respect to the number of energy groups, G, (notably to reconstruct the scattering matrix) and (2) linearly with respect to the number of unknown material regions. As pointed out, a promising approach could rely on algorithms to appropriately select a material type per material zone rather than G2 values. This approach, though promising, still requires further investigation: (a) when switching from cross-section values unknowns to material type indices (discrete integer unknowns), integer programming techniques are needed since derivative information is no longer available; and (b) the issue of selecting the initial material zoning remains. The work reported here proposes an approach to solve the latter item, whereby a material zoning is proposed using one-group or few-groups transport approximations. The capabilities and limitations of the presented method were explored; they are briefly summarized next and later described in fuller details in the Appendices. The major factors that influenced the ability of the optimization method to reconstruct the cross sections of these domains included the locations of the sources used to illuminate the domains, the number of separate experiments used in the reconstruction, the

  9. Nodal Diffusion & Transport Theory

    1992-02-19

    DIF3D solves multigroup diffusion theory eigenvalue, adjoint, fixed source, and criticality (concentration, buckling, and dimension search) problems in 1, 2, and 3-space dimensions for orthogonal (rectangular or cylindrical), triangular, and hexagonal geometries. Anisotropic diffusion theory coefficients are permitted. Flux and power density maps by mesh cell and regionwise balance integrals are provided. Although primarily designed for fast reactor problems, upscattering and internal black boundary conditions are also treated.

  10. Solves the Multigroup Neutron Diffusion Equation

    1995-06-23

    GNOMER is a program which solves the multigroup neutron diffusion equation in 1D, 2D and 3D cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks), as well as power distribution and homogenized cross sections over a fuel assembly.

  11. Neutron radiography determination of water diffusivity in fired clay brick.

    PubMed

    El Abd, A; Czachor, A; Milczarek, J

    2009-04-01

    The real time neutron and gamma radiography station at Maria reactor, Institute of Atomic Energy, Swierk, Poland, was used to investigate the isothermal water absorption into fired clay brick samples. The investigated brick is different from the bricks reported in El Abd and Milczarek [2004. Neutron radiology study of water absorption in porous building materials: anomalous diffusing analysis. J. Phys. D: Appl. Phys. 37, 2305-2313] in density and chemical composition. Neutron radiography images were acquired regularly as the absorption time elapses. The water content, theta, along the flow direction, x, namely the water profiles theta(x,t) and the water front position as a function of the absorption time, t, were extracted from neutron radiography images. The results were discussed in terms of the macroscopic theory of water infiltration in unsaturated porous media. It was shown that the water front position followed the square root t-scaling (x(m)=phi(m) square root t) and the profiles (theta-phi) converged to a universal one master curve. The water diffusivity was analytically determined from the experimental results. It has the so-called hypo-diffusive character, namely its gradient with respect to the water content is positive. Neutron radiography is a powerful method to distinguish among the unsaturated flow in different porous construction materials.

  12. Supplement to Theory of Neutron Chain Reactions

    DOE R&D Accomplishments Database

    Weinberg, Alvin M.; Noderer, L. C.

    1952-05-26

    General discussions are given of the theory of neutron chain reactions. These include observations on exponential experiments, the general reactor with resonance fission, microscopic pile theory, and homogeneous slow neutron reactors. (B.J.H.)

  13. Asymptotic neutron scattering laws for anomalously diffusing quantum particles

    NASA Astrophysics Data System (ADS)

    Kneller, Gerald R.

    2016-07-01

    The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝tα, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.

  14. Asymptotic neutron scattering laws for anomalously diffusing quantum particles.

    PubMed

    Kneller, Gerald R

    2016-07-28

    The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t(α), with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers. PMID:27475344

  15. Theory of cooling neutron stars versus observations

    SciTech Connect

    Yakovlev, D. G.; Gnedin, O. Y.; Kaminker, A. D.; Potekhin, A. Y.

    2008-02-27

    We review current state of neutron star cooling theory and discuss the prospects to constrain the equation of state, neutrino emission and superfluid properties of neutron star cores by comparing the cooling theory with observations of thermal radiation from isolated neutron stars.

  16. Multigroup Complex Geometry Neutron Diffusion Code System.

    2002-12-18

    Version 01 SNAP-3D is based on SNAP2 and is a one- two- or three-dimensional multigroup diffusion code system. It is primarily intended for neutron diffusion calculations, but it can also carry out gamma-ray calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP-3D can solve the multi-group neutron diffusion equations using finite difference methods in (x,y,z), (r,theta,z), (TRI,z), (HEX,z) or (spherical) coordinates.more » The one-dimensional slab and cylindrical geometries and the two-dimensional (x,y), (r,z), (r,theta), (HEX) and (TRI) are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. The problem classes are: 1) eigenvalue search for critical k-effective, 2) eigenvalue search for critical buckling, 3) eigenvalue search for critical time-constant, 4) fixed source problems in which the sources are functions of regions, 5) fixed source problems in which the sources are provided, on disc, for every mesh point and group.« less

  17. Multigroup Complex Geometry Neutron Diffusion Code System.

    SciTech Connect

    MCCALLIEN, C. W.J.

    2002-12-18

    Version 01 SNAP-3D is based on SNAP2 and is a one- two- or three-dimensional multigroup diffusion code system. It is primarily intended for neutron diffusion calculations, but it can also carry out gamma-ray calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP-3D can solve the multi-group neutron diffusion equations using finite difference methods in (x,y,z), (r,theta,z), (TRI,z), (HEX,z) or (spherical) coordinates. The one-dimensional slab and cylindrical geometries and the two-dimensional (x,y), (r,z), (r,theta), (HEX) and (TRI) are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. The problem classes are: 1) eigenvalue search for critical k-effective, 2) eigenvalue search for critical buckling, 3) eigenvalue search for critical time-constant, 4) fixed source problems in which the sources are functions of regions, 5) fixed source problems in which the sources are provided, on disc, for every mesh point and group.

  18. Diffusive heat blanketing envelopes of neutron stars

    NASA Astrophysics Data System (ADS)

    Beznogov, M. V.; Potekhin, A. Y.; Yakovlev, D. G.

    2016-06-01

    We construct new models of outer heat blanketing envelopes of neutron stars composed of binary ion mixtures (H-He, He-C, C-Fe) in and out of diffusive equilibrium. To this aim, we generalize our previous work on diffusion of ions in isothermal gaseous or Coulomb liquid plasmas to handle non-isothermal systems. We calculate the relations between the effective surface temperature Ts and the temperature Tb at the bottom of heat blanketing envelopes (at a density ρb ˜ 108 - 1010 g cm-3) for diffusively equilibrated and non-equilibrated distributions of ion species at different masses ΔM of lighter ions in the envelope. Our principal result is that the Ts-Tb relations are fairly insensitive to detailed distribution of ion fractions over the envelope (diffusively equilibrated or not) and depend almost solely on ΔM. The obtained relations are approximated by analytic expressions which are convenient for modelling the evolution of neutron stars.

  19. A Simplified HTTR Diffusion Theory Benchmark

    SciTech Connect

    Rodolfo M. Ferrer; Abderrafi M. Ougouag; Farzad Rahnema

    2010-10-01

    The Georgia Institute of Technology (GA-Tech) recently developed a transport theory benchmark based closely on the geometry and the features of the HTTR reactor that is operational in Japan. Though simplified, the benchmark retains all the principal physical features of the reactor and thus provides a realistic and challenging test for the codes. The purpose of this paper is twofold. The first goal is an extension of the benchmark to diffusion theory applications by generating the additional data not provided in the GA-Tech prior work. The second goal is to use the benchmark on the HEXPEDITE code available to the INL. The HEXPEDITE code is a Green’s function-based neutron diffusion code in 3D hexagonal-z geometry. The results showed that the HEXPEDITE code accurately reproduces the effective multiplication factor of the reference HELIOS solution. A secondary, but no less important, conclusion is that in the testing against actual HTTR data of a full sequence of codes that would include HEXPEDITE, in the apportioning of inevitable discrepancies between experiment and models, the portion of error attributable to HEXPEDITE would be expected to be modest. If large discrepancies are observed, they would have to be explained by errors in the data fed into HEXPEDITE. Results based on a fully realistic model of the HTTR reactor are presented in a companion paper. The suite of codes used in that paper also includes HEXPEDITE. The results shown here should help that effort in the decision making process for refining the modeling steps in the full sequence of codes.

  20. Theory of diffusion controlled growth

    NASA Astrophysics Data System (ADS)

    Ball, R. C.; Somfai, E.

    2003-03-01

    We present a new theoretical framework for Diffusion Limited Aggregation and associated Dielectric Breakdown Models (DBM) in two dimensions [R. C. Ball and E. Somfai; PRL 89, 135503 (2002); and cond-mat/0210598]. The first key step is to understand how these models interrelate when the ultra-violet cut-off strategy is changed, leading us to propose a new set of equivalence relations between generalisations of the original DBM. This enables us to approach these models through the dynamics of conformal maps with a fixed charge cut-off. Using logarithmic field variables then leads to coupled moment equations which appear to be renormalisable. Within the simplest, Gaussian, truncation of mode-mode coupling, all properties can be calculated. The agreement with prior knowledge from simulations is encouraging, and a new superuniversality of the tip scaling exponent is discussed. We find angular resonances relatable to the cone angle theory, and we are led to predict a new Screening Transition in the DBM at large η.

  1. String theory as a diffusing system

    NASA Astrophysics Data System (ADS)

    Calcagni, Gianluca; Nardelli, Giuseppe

    2010-02-01

    Recent results on the effective non-local dynamics of the tachyon mode of open string field theory (OSFT) show that approximate solutions can be constructed which obey the diffusion equation. We argue that this structure is inherited from the full theory, where it admits a universal formulation. In fact, all known exact OSFT solutions are superpositions of diffusing surface states. In particular, the diffusion equation is a spacetime manifestation of OSFT gauge symmetries.

  2. The effect of thermal neutron field slagging caused by cylindrical BF3 counters in diffusion media

    NASA Technical Reports Server (NTRS)

    Gorshkov, G. V.; Tsvetkov, O. S.; Yakovlev, R. M.

    1975-01-01

    Computations are carried out in transport approximation (first collision method) for the attenuation of the field of thermal neutrons formed in counters of the CHM-8 and CHMO-5 type. The deflection of the thermal neutron field is also obtained near the counters and in the air (shade effect) and in various decelerating media (water, paraffin, plexiglas) for which the calculations are carried out on the basis of diffusion theory. To verify the calculations, the distribution of the density of the thermal neutrons at various distances from the counter in the water is measured.

  3. Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system

    SciTech Connect

    Vasques, R.

    2013-07-01

    Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)

  4. A Multimodal Theory of Affect Diffusion.

    PubMed

    Peters, Kim; Kashima, Yoshihisa

    2015-09-01

    There is broad consensus in the literature that affect diffuses through social networks (such that a person may "acquire" or "catch" an affective state from his or her social contacts). It is further assumed that affect diffusion primarily occurs as the result of people's tendencies to synchronize their affective actions (such as smiles and frowns). However, as we show, there is a lack of clarity in the literature about the substrate and scope of affect diffusion. One consequence of this is a difficulty in distinguishing between affect diffusion and several other affective influence phenomena that look similar but have very different consequences. There is also a growing body of evidence that action synchrony is unlikely to be the only, or indeed the most important, pathway for affect diffusion. This paper has 2 key aims: (a) to craft a formal definition of affect diffusion that does justice to the core of the phenomenon while distinguishing it from other phenomena with which it is frequently confounded and (b) to advance a theory of the mechanisms of affect diffusion. This theory, which we call the multimodal theory of affect diffusion, identifies 3 parallel multimodal mechanisms that may act as routes for affect diffusion. It also provides a basis for novel predictions about the conditions under which affect is most likely to diffuse. PMID:26011791

  5. Diffusion in the special theory of relativity.

    PubMed

    Herrmann, Joachim

    2009-11-01

    The Markovian diffusion theory is generalized within the framework of the special theory of relativity. Since the velocity space in relativity is a hyperboloid, the mathematical stochastic calculus on Riemanian manifolds can be applied but adopted here to the velocity space. A generalized Langevin equation in the fiber space of position, velocity, and orthonormal velocity frames is defined from which the generalized relativistic Kramers equation in the phase space in external force fields is derived. The obtained diffusion equation is invariant under Lorentz transformations and its stationary solution is given by the Jüttner distribution. Besides, a nonstationary analytical solution is derived for the example of force-free relativistic diffusion.

  6. The AN neutron transport by nodal diffusion

    SciTech Connect

    Barbarino, A.; Tomatis, D.

    2013-07-01

    The two group diffusion model combined to a nodal approach in space is the preferred scheme for the industrial simulation of nuclear water reactors. The main selling point is the speed of computation, allowing a large number of parametric studies. Anyway, the drawbacks of the underlying diffusion equation may arise with highly heterogeneous interfaces, often encountered in modern UO{sub 2} and MO{sub x} fuel loading patterns, and boron less controlled systems. This paper aims at showing how the simplified AN transport model, equivalent to the well known SPN, can be implemented in standard diffusion codes with minor modifications. Some numerical results are illustrated. (authors)

  7. Diffusion in the general theory of relativity

    SciTech Connect

    Herrmann, Joachim

    2010-07-15

    The Markovian diffusion theory in the phase space is generalized within the framework of the general theory of relativity. The introduction of moving orthonormal frame vectors both for the position as well the velocity space avoids difficulties in the general relativistic stochastic calculus. The general relativistic Kramers equation in the phase space is derived both in the parametrization of phase-space proper time and the coordinate time. The transformation of the obtained diffusion equation under hypersurface-preserving coordinate transformations is analyzed and diffusion in the expanding universe is studied. It is shown that the validity of the fluctuation-dissipation theorem ensures that in the quasisteady state regime, the result of the derived diffusion equation is consistent with the kinetic theory in thermodynamic equilibrium.

  8. Cooling of neutron stars with diffusive envelopes

    NASA Astrophysics Data System (ADS)

    Beznogov, M. V.; Fortin, M.; Haensel, P.; Yakovlev, D. G.; Zdunik, J. L.

    2016-08-01

    We study the effects of heat blanketing envelopes of neutron stars on their cooling. To this aim, we perform cooling simulations using newly constructed models of the envelopes composed of binary ion mixtures (H-He, He-C, C-Fe) varying the mass of lighter ions (H, He or C) in the envelope. The results are compared with those calculated using the standard models of the envelopes which contain the layers of lighter (accreted) elements (H, He and C) on top of the Fe layer, varying the mass of accreted elements. The main effect is that the chemical composition of the envelopes influences their thermal conductivity and, hence, thermal insulation of the star. For illustration, we apply these results to estimate the internal temperature of the Vela pulsar and to study the cooling of neutron stars of ages of 105 - 106 yr at the photon cooling stage. The uncertainties of the cooling models associated with our poor knowledge of chemical composition of the heat insulating envelopes strongly complicate theoretical reconstruction of the internal structure of cooling neutron stars from observations of their thermal surface emission.

  9. Cosmic ray diffusion: Report of the Workshop in Cosmic Ray Diffusion Theory

    NASA Technical Reports Server (NTRS)

    Birmingham, T. J.; Jones, F. C.

    1975-01-01

    A workshop in cosmic ray diffusion theory was held at Goddard Space Flight Center on May 16-17, 1974. Topics discussed and summarized are: (1) cosmic ray measurements as related to diffusion theory; (2) quasi-linear theory, nonlinear theory, and computer simulation of cosmic ray pitch-angle diffusion; and (3) magnetic field fluctuation measurements as related to diffusion theory.

  10. Tests of alternative quantum theories with neutrons

    SciTech Connect

    Sponar, S.; Durstberger-Rennhofer, K.; Badurek, G.; Hasegawa, Y.; Klepp, J.; Schmitzer, C.; Bartosik, H.

    2014-12-04

    According to Bell’s theorem, every theory based on local realism is at variance with certain predictions of quantum mechanics. A theory that maintains realism but abandons reliance on locality, which has been proposed by Leggett, is incompatible with experimentally observable quantum correlations. In our experiment correlation measurements of spin-energy entangled single-neutrons violate a Leggett-type inequality by more than 7.6 standard deviations. The experimental data falsify the contextual realistic model and are fully in favor of quantum mechanics.

  11. Diffusion in the special theory of relativity.

    PubMed

    Herrmann, Joachim

    2009-11-01

    The Markovian diffusion theory is generalized within the framework of the special theory of relativity. Since the velocity space in relativity is a hyperboloid, the mathematical stochastic calculus on Riemanian manifolds can be applied but adopted here to the velocity space. A generalized Langevin equation in the fiber space of position, velocity, and orthonormal velocity frames is defined from which the generalized relativistic Kramers equation in the phase space in external force fields is derived. The obtained diffusion equation is invariant under Lorentz transformations and its stationary solution is given by the Jüttner distribution. Besides, a nonstationary analytical solution is derived for the example of force-free relativistic diffusion. PMID:20364950

  12. An asteroseismic test of diffusion theory

    NASA Astrophysics Data System (ADS)

    Metcalfe, Travis S.

    The helium-atmosphere (DB) white dwarfs are commonly thought to be the descendants of the hotter PG 1159 stars, which initially have uniform He/C/O atmospheres. In this evolutionary scenario, diffusion builds a pure He surface layer which gradually thickens as the star cools. In the temperature range of the pulsating DB white dwarfs (T_eff˜ 25,000 K) this transformation is still taking place, allowing asteroseismic tests of the theory. Objective global fitting of our updated double-layered envelope models to recent observations of the pulsating DB star CBS 114, and to existing observations of the slightly cooler star GD 358, lead to determinations of the envelope masses and pure He surface layers that qualitatively agree with the expectations of diffusion theory. These results provide new asteroseismic evidence supporting one of the central assumptions of spectral evolution theory, linking the DB white dwarfs to PG 1159 stars.

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

    NASA Technical Reports Server (NTRS)

    Mccready, Robert R

    1956-01-01

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

  14. A Microscopic Theory of the Neutron

    NASA Astrophysics Data System (ADS)

    Zheng-Johansson, J. X.

    2016-01-01

    A microscopic theory of the neutron, which consists in a neutron model constructed using key relevant experimental observations as input information and the first principles solutions for the basic properties of the model neutron, is proposed within a framework consistent with the Standard Model. The neutron is composed of an electron e and a proton p that are separated at a distance r1 of the order 10-18 m, and are in relative orbital angular motion and Thomas precession highly relativistically, with their reduced mass moving along a quantised circular orbit l = 1, j = ½ of radius vector r1½ = r1rˆ1½ about their mass centre. The associated rotational energy flux has a spin ½ and resembles a confined antineutrino. The particles e, p are attracted with one another predominantly by a central magnetic force produced as result of the particles’ relative precessional-orbital and intrinsic angular motions. The interaction force (resembling the weak force), potential (resembling the Higgs’ field), and a corresponding excitation Hamiltonian (HI), among others, are derived based directly on first principles laws of electromagnetism, quantum mechanics and relativistic mechanics within a unified framework. In particular, the equation for 4/3πr13HI, which is directly comparable with the Fermi constant GF, is predicted as GF = 4/3πr13HI = AoC0 ½/γeγp, where Ao = e2ℏ2/12π𝜖0m0em0pc2, m0em0p are the e, p rest masses, C0½ is a geo-magnetic factor, and γe, γp are the Lorentz factors. Quantitative solution for a stationary meta-stable neutron is found to exist at the extremal point r1m = 2.537 × 10-18 m, at which the GF is a minimum (whence the neutron lifetime is a maximum) and is equal to the experimental value. Solutions for the magnetic moment, effective spin (½), fine structure constant, and intermediate vector boson masses of the neutron are also given in this paper.

  15. Relativistic density functional theory for finite nuclei and neutron stars

    NASA Astrophysics Data System (ADS)

    Piekarewicz, Jorge

    In 1939 Oppenheimer and Volkoff demonstrated using Einstein's theory of general relativity that a neutron star supported exclusively by neutron degeneracy pressure will collapse into a black hole if its mass exceeds seven tenths of a solar mass. Seventy five years after such a pioneering prediction the existence of neutron stars with masses as large as two solar masses has been firmly established. This fact alone highlights the critical role that nuclear interactions play in explaining the structure of neutron stars. Indeed, a neutron star is a gold mine for the study of nuclear phenomena that span an enormous range of densities and neutron-proton asymmetries. Physical phenomena over such diverse scales are best described by a formalism based on Relativistic Density Functional Theory. In this contribution I focus on the synergy between theory, experiment, and observation that is needed to elucidate the myriad of exotic states of matter that are believed to exist in a neutron star.

  16. Hydromagnetic waves and cosmic ray diffusion theory

    NASA Technical Reports Server (NTRS)

    Lee, M. A.; Voelk, H. J.

    1975-01-01

    Pitch angle diffusion of cosmic rays in hydromagnetic wave fields is considered strictly within the quasilinear approximation. It is shown that the popular assumption of an isotropic power spectrum tensor of magnetic fluctuations requires in this case equal forms and magnitudes of Alfven and magnetosonic wave spectra - a situation which is generally unlikely. The relative contributions to the pitch angle diffusion coefficient from the cyclotron resonances and Landau resonance due to the different types of waves are evaluated for a typical situation in the solar wind. Since in this approximation also the Landau resonance does not lead to particle reflections a proper consideration of the nonlinear particle orbits is indeed necessary to overcome the well known difficulties of quasilinear scattering theory for cosmic rays near 90 degrees pitch angle.

  17. Parallel solutions of the two-group neutron diffusion equations

    SciTech Connect

    Zee, K.S.; Turinsky, P.J.

    1987-01-01

    Recent efforts to adapt various numerical solution algorithms to parallel computer architectures have addressed the possibility of substantially reducing the running time of few-group neutron diffusion calculations. The authors have developed an efficient iterative parallel algorithm and an associated computer code for the rapid solution of the finite difference method representation of the two-group neutron diffusion equations on the CRAY X/MP-48 supercomputer having multi-CPUs and vector pipelines. For realistic simulation of light water reactor cores, the code employees a macroscopic depletion model with trace capability for selected fission product transients and critical boron. In addition to this, moderator and fuel temperature feedback models are also incorporated into the code. The validity of the physics models used in the code were benchmarked against qualified codes and proved accurate. This work is an extension of previous work in that various feedback effects are accounted for in the system; the entire code is structured to accommodate extensive vectorization; and an additional parallelism by multitasking is achieved not only for the solution of the matrix equations associated with the inner iterations but also for the other segments of the code, e.g., outer iterations.

  18. Kinetic theory of diffusion-limited nucleation.

    PubMed

    Philippe, T; Bonvalet, M; Blavette, D

    2016-05-28

    We examine binary nucleation in the size and composition space {R,c} using the formalism of the multivariable theory [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)]. We show that the variable c drops out of consideration for very large curvature of the new phase Gibbs energy with composition. Consequently nuclei around the critical size have the critical composition, which is derived from the condition of criticality for the canonical variables and is found not to depend on surface tension. In this case, nucleation kinetics can be investigated in the size space only. Using macroscopic kinetics, we determine the general expression for the condensation rate when growth is limited by bulk diffusion, which accounts for both diffusion and capillarity and exhibits a different dependence with the critical size, as compared with the interface-limited regime. This new expression of the condensation rate for bulk diffusion-limited nucleation is the counterpart of the classical interface-limited result. We then extend our analysis to multicomponent solutions.

  19. Kinetic theory of diffusion-limited nucleation

    NASA Astrophysics Data System (ADS)

    Philippe, T.; Bonvalet, M.; Blavette, D.

    2016-05-01

    We examine binary nucleation in the size and composition space {R,c} using the formalism of the multivariable theory [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)]. We show that the variable c drops out of consideration for very large curvature of the new phase Gibbs energy with composition. Consequently nuclei around the critical size have the critical composition, which is derived from the condition of criticality for the canonical variables and is found not to depend on surface tension. In this case, nucleation kinetics can be investigated in the size space only. Using macroscopic kinetics, we determine the general expression for the condensation rate when growth is limited by bulk diffusion, which accounts for both diffusion and capillarity and exhibits a different dependence with the critical size, as compared with the interface-limited regime. This new expression of the condensation rate for bulk diffusion-limited nucleation is the counterpart of the classical interface-limited result. We then extend our analysis to multicomponent solutions.

  20. Kinetic theory of diffusion-limited nucleation.

    PubMed

    Philippe, T; Bonvalet, M; Blavette, D

    2016-05-28

    We examine binary nucleation in the size and composition space {R,c} using the formalism of the multivariable theory [N. V. Alekseechkin, J. Chem. Phys. 124, 124512 (2006)]. We show that the variable c drops out of consideration for very large curvature of the new phase Gibbs energy with composition. Consequently nuclei around the critical size have the critical composition, which is derived from the condition of criticality for the canonical variables and is found not to depend on surface tension. In this case, nucleation kinetics can be investigated in the size space only. Using macroscopic kinetics, we determine the general expression for the condensation rate when growth is limited by bulk diffusion, which accounts for both diffusion and capillarity and exhibits a different dependence with the critical size, as compared with the interface-limited regime. This new expression of the condensation rate for bulk diffusion-limited nucleation is the counterpart of the classical interface-limited result. We then extend our analysis to multicomponent solutions. PMID:27250310

  1. Fluctuation theory of single-file diffusion.

    PubMed

    Felderhof, B U

    2009-08-14

    In a one-dimensional suspension of Brownian particles, which cannot pass each other, the mean square displacement of a selected particle grows at long times with the square root of time, rather than linearly. It is shown that the coefficient of the square root, the so-called single-file mobility, can be derived from fluctuation theory, involving the velocity time scale and the fluctuation-dissipation theorem. The single-file mobility is expressed in terms of the collective diffusion coefficient and the isothermal osmotic compressibility, in agreement with the result derived earlier by Kollmann on the basis of the generalized Smoluchowski equation [M. Kollmann, Phys. Rev. Lett. 90, 180602 (2003)].

  2. Neutron-star matter within the energy-density functional theory and neutron-star structure

    SciTech Connect

    Fantina, A. F.; Chamel, N.; Goriely, S.; Pearson, J. M.

    2015-02-24

    In this lecture, we will present some nucleonic equations of state of neutron-star matter calculated within the nuclear energy-density functional theory using generalized Skyrme functionals developed by the Brussels-Montreal collaboration. These equations of state provide a consistent description of all regions of a neutron star. The global structure of neutron stars predicted by these equations of state will be discussed in connection with recent astrophysical observations.

  3. Applying Diffusion of Innovation Theory to Intervention Development

    ERIC Educational Resources Information Center

    Dearing, James W.

    2009-01-01

    Few social science theories have a history of conceptual and empirical study as long as does the diffusion of innovations. The robustness of this theory derives from the many disciplines and fields of study in which diffusion has been studied, from the international richness of these studies, and from the variety of new ideas, practices, programs,…

  4. Diffuse Optical Tomography for Brain Imaging: Theory

    NASA Astrophysics Data System (ADS)

    Yuan, Zhen; Jiang, Huabei

    Diffuse optical tomography (DOT) is a noninvasive, nonionizing, and inexpensive imaging technique that uses near-infrared light to probe tissue optical properties. Regional variations in oxy- and deoxy-hemoglobin concentrations as well as blood flow and oxygen consumption can be imaged by monitoring spatiotemporal variations in the absorption spectra. For brain imaging, this provides DOT unique abilities to directly measure the hemodynamic, metabolic, and neuronal responses to cells (neurons), and tissue and organ activations with high temporal resolution and good tissue penetration. DOT can be used as a stand-alone modality or can be integrated with other imaging modalities such as fMRI/MRI, PET/CT, and EEG/MEG in studying neurophysiology and pathology. This book chapter serves as an introduction to the basic theory and principles of DOT for neuroimaging. It covers the major aspects of advances in neural optical imaging including mathematics, physics, chemistry, reconstruction algorithm, instrumentation, image-guided spectroscopy, neurovascular and neurometabolic coupling, and clinical applications.

  5. Iso-geometric analysis for neutron diffusion problems

    SciTech Connect

    Hall, S. K.; Eaton, M. D.; Williams, M. M. R.

    2012-07-01

    Iso-geometric analysis can be viewed as a generalisation of the finite element method. It permits the exact representation of a wider range of geometries including conic sections. This is possible due to the use of concepts employed in computer-aided design. The underlying mathematical representations from computer-aided design are used to capture both the geometry and approximate the solution. In this paper the neutron diffusion equation is solved using iso-geometric analysis. The practical advantages are highlighted by looking at the problem of a circular fuel pin in a square moderator. For this problem the finite element method requires the geometry to be approximated. This leads to errors in the shape and size of the interface between the fuel and the moderator. In contrast to this iso-geometric analysis allows the interface to be represented exactly. It is found that, due to a cancellation of errors, the finite element method converges more quickly than iso-geometric analysis for this problem. A fuel pin in a vacuum was then considered as this problem is highly sensitive to the leakage across the interface. In this case iso-geometric analysis greatly outperforms the finite element method. Due to the improvement in the representation of the geometry iso-geometric analysis can outperform traditional finite element methods. It is proposed that the use of iso-geometric analysis on neutron transport problems will allow deterministic solutions to be obtained for exact geometries. Something that is only currently possible with Monte Carlo techniques. (authors)

  6. Converged accelerated finite difference scheme for the multigroup neutron diffusion equation

    SciTech Connect

    Terranova, N.; Mostacci, D.; Ganapol, B. D.

    2013-07-01

    Computer codes involving neutron transport theory for nuclear engineering applications always require verification to assess improvement. Generally, analytical and semi-analytical benchmarks are desirable, since they are capable of high precision solutions to provide accurate standards of comparison. However, these benchmarks often involve relatively simple problems, usually assuming a certain degree of abstract modeling. In the present work, we show how semi-analytical equivalent benchmarks can be numerically generated using convergence acceleration. Specifically, we investigate the error behavior of a 1D spatial finite difference scheme for the multigroup (MG) steady-state neutron diffusion equation in plane geometry. Since solutions depending on subsequent discretization can be envisioned as terms of an infinite sequence converging to the true solution, extrapolation methods can accelerate an iterative process to obtain the limit before numerical instability sets in. The obtained results have been compared to the analytical solution to the 1D multigroup diffusion equation when available, using FORTRAN as the computational language. Finally, a slowing down problem has been solved using a cascading source update, showing how a finite difference scheme performs for ultra-fine groups (104 groups) in a reasonable computational time using convergence acceleration. (authors)

  7. Universal Charge Diffusion and the Butterfly Effect in Holographic Theories.

    PubMed

    Blake, Mike

    2016-08-26

    We study charge diffusion in holographic scaling theories with a particle-hole symmetry. We show that these theories have a universal regime in which the diffusion constant is given by D_{c}=Cv_{B}^{2}/(2πT), where v_{B} is the velocity of the butterfly effect. The constant of proportionality C depends only on the scaling exponents of the infrared theory. Our results suggest an unexpected connection between transport at strong coupling and quantum chaos.

  8. Universal Charge Diffusion and the Butterfly Effect in Holographic Theories

    NASA Astrophysics Data System (ADS)

    Blake, Mike

    2016-08-01

    We study charge diffusion in holographic scaling theories with a particle-hole symmetry. We show that these theories have a universal regime in which the diffusion constant is given by Dc=C vB2/(2 π T ), where vB is the velocity of the butterfly effect. The constant of proportionality C depends only on the scaling exponents of the infrared theory. Our results suggest an unexpected connection between transport at strong coupling and quantum chaos.

  9. Neutron Production by Muon Spallation I: Theory

    SciTech Connect

    Luu, T; Hagmann, C

    2006-11-13

    We describe the physics and codes developed in the Muon Physics Package. This package is a self-contained Fortran90 module that is intended to be used with the Monte Carlo package MCNPX. We calculate simulated energy spectra, multiplicities, and angular distributions of direct neutrons and pions from muon spallation.

  10. GAUGE3. Two-Dimensional Neutron Diffusion-Depletion for Hexagonal Lattice

    SciTech Connect

    Koch, P.; Shirley, G.

    1993-09-01

    GAUGE3 is a two-dimensional few-group neutron diffusion-depletion program with a uniform triangular spatial mesh for calculations involving reactors with hexagonal core configurations. GAUGE3 calculates the effective multiplication factor and the spatial distribution of the neutron flux and power.

  11. Multidimensional reaction rate theory with anisotropic diffusion.

    PubMed

    Berezhkovskii, Alexander M; Szabo, Attila; Greives, Nicholas; Zhou, Huan-Xiang

    2014-11-28

    An analytical expression is derived for the rate constant that describes diffusive transitions between two deep wells of a multidimensional potential. The expression, in contrast to the Kramers-Langer formula for the rate constant, is valid even when the diffusion is highly anisotropic. Our approach is based on a variational principle for the reactive flux and uses a trial function for the splitting probability or commitor. The theoretical result is validated by Brownian dynamics simulations.

  12. Neutron stars interiors: Theory and reality

    NASA Astrophysics Data System (ADS)

    Stone, J. R.

    2016-03-01

    There are many fascinating processes in the universe which we observe in more detail thanks to increasingly sophisticated technology. One of the most interesting phenomena is the life cycle of stars, their birth, evolution and death. If the stars are massive enough, they end their lives in a core-collapse supernova explosion, one of the most violent events in the universe. As a result, the densest objects in the universe, neutron stars and/or black holes, are created. The physical basis of these events should be understood in line with observation. Unfortunately, available data do not provide adequate constraints for many theoretical models of dense matter. One of the most open areas of research is the composition of matter in the cores of neutron stars. Unambiguous fingerprints for the appearance and evolution of particular components, such as strange baryons and mesons, with increasing density, have not been identified. In particular, the hadron-quark phase transition remains a subject of intensive research. In this contribution we briefly survey the most promising observational and theoretical directions leading to progress in understanding high density matter in neutron stars. A possible way forward in modeling high-density matter is outlined, exemplified by the quark-meson-coupling model (QMC). This model makes connection between hadronic structure and the underlying quark make-up. It offers a natural explanation for the saturation of nuclear force and treats high-density matter, containing the full baryon octet, in terms of four uniquely defined parameters adjusted to properties of symmetric nuclear matter at saturation.

  13. Very massive neutron stars in Ni's theory of gravity

    NASA Technical Reports Server (NTRS)

    Mikkelsen, D. R.

    1977-01-01

    It is shown that in Ni's theory of gravity, which is identical to general relativity in the post-Newtonian limit, neutron stars of arbitrarily large mass are possible. This result is independent, within reasonable bounds, of the equation of state of matter at supernuclear densities.

  14. Applying Diffusion of Innovation Theory to Intervention Development.

    PubMed

    Dearing, James W

    2009-09-01

    Few social science theories have a history of conceptual and empirical study as long as does the diffusion of innovations. The robustness of this theory derives from the many disciplines and fields of study in which diffusion has been studied, from the international richness of these studies, and from the variety of new ideas, practices, programs, and technologies that have been the objects of diffusion research. Early theorizing from the beginning of the 20th century was gradually displaced by post hoc empirical research that described and explained diffusion processes. By the 1950s, diffusion researchers had begun to apply the collective knowledge learned about naturalistic diffusion in tests of process interventions to affect the spread of innovations. Now, this purposive objective has given form to a science of dissemination in which evidence-based practices are designed a priori not just to result in internal validity but to increase the likelihood that external validity and diffusion both are more likely to result. Here, I review diffusion theory and focus on seven concepts-intervention attributes, intervention clusters, demonstration projects, societal sectors, reinforcing contextual conditions, opinion leadership, and intervention adaptation-with potential for accelerating the spread of evidence-based practices, programs, and policies in the field of social work.

  15. Applying Diffusion of Innovation Theory to Intervention Development

    PubMed Central

    Dearing, James W.

    2010-01-01

    Few social science theories have a history of conceptual and empirical study as long as does the diffusion of innovations. The robustness of this theory derives from the many disciplines and fields of study in which diffusion has been studied, from the international richness of these studies, and from the variety of new ideas, practices, programs, and technologies that have been the objects of diffusion research. Early theorizing from the beginning of the 20th century was gradually displaced by post hoc empirical research that described and explained diffusion processes. By the 1950s, diffusion researchers had begun to apply the collective knowledge learned about naturalistic diffusion in tests of process interventions to affect the spread of innovations. Now, this purposive objective has given form to a science of dissemination in which evidence-based practices are designed a priori not just to result in internal validity but to increase the likelihood that external validity and diffusion both are more likely to result. Here, I review diffusion theory and focus on seven concepts—intervention attributes, intervention clusters, demonstration projects, societal sectors, reinforcing contextual conditions, opinion leadership, and intervention adaptation—with potential for accelerating the spread of evidence-based practices, programs, and policies in the field of social work. PMID:20976022

  16. Hydrodynamic theory of diffusion in two-temperature multicomponent plasmas

    SciTech Connect

    Ramshaw, J.D.; Chang, C.H.

    1995-12-31

    Detailed numerical simulations of multicomponent plasmas require tractable expressions for species diffusion fluxes, which must be consistent with the given plasma current density J{sub q} to preserve local charge neutrality. The common situation in which J{sub q} = 0 is referred to as ambipolar diffusion. The use of formal kinetic theory in this context leads to results of formidable complexity. We derive simple tractable approximations for the diffusion fluxes in two-temperature multicomponent plasmas by means of a generalization of the hydrodynamical approach used by Maxwell, Stefan, Furry, and Williams. The resulting diffusion fluxes obey generalized Stefan-Maxwell equations that contain driving forces corresponding to ordinary, forced, pressure, and thermal diffusion. The ordinary diffusion fluxes are driven by gradients in pressure fractions rather than mole fractions. Simplifications due to the small electron mass are systematically exploited and lead to a general expression for the ambipolar electric field in the limit of infinite electrical conductivity. We present a self-consistent effective binary diffusion approximation for the diffusion fluxes. This approximation is well suited to numerical implementation and is currently in use in our LAVA computer code for simulating multicomponent thermal plasmas. Applications to date include a successful simulation of demixing effects in an argon-helium plasma jet, for which selected computational results are presented. Generalizations of the diffusion theory to finite electrical conductivity and nonzero magnetic field are currently in progress.

  17. Universal Charge Diffusion and the Butterfly Effect in Holographic Theories.

    PubMed

    Blake, Mike

    2016-08-26

    We study charge diffusion in holographic scaling theories with a particle-hole symmetry. We show that these theories have a universal regime in which the diffusion constant is given by D_{c}=Cv_{B}^{2}/(2πT), where v_{B} is the velocity of the butterfly effect. The constant of proportionality C depends only on the scaling exponents of the infrared theory. Our results suggest an unexpected connection between transport at strong coupling and quantum chaos. PMID:27610842

  18. Intracellular transport mechanisms: a critique of diffusion theory.

    PubMed

    Agutter, P S; Malone, P C; Wheatley, D N

    1995-09-21

    It is argued that Brownian motion makes a less significant contribution to the movements of molecules and particles inside cells than is commonly believed, and that the numbers of similar molecules and particles within any near-homogeneous subcompartment of the cell internum are insufficient to justify the statistical assumptions implicit in the derivation of the diffusion equation. For these reasons, it is contended that, contrary to accepted opinion, diffusion theory cannot provide an explanation for intracellular transport at the molecular level. Although attempts have been made to adapt diffusion theory to complex media, the conclusion is that none satisfactorily overcomes the problem of applying the theory to cell biology. However, the heuristic influence of the theory on cellular biophysics and physiology is noted, and possible alternative frameworks for interpreting the valuable experimental data obtained from such studies are outlined.

  19. Self-diffusion and defect annihilation in nanocrystalline Fe films probed by neutron reflectometry

    NASA Astrophysics Data System (ADS)

    Chakravarty, Sujoy; Schmidt, Harald; Tietze, Ursula; Lott, Dieter; Lalla, N. P.; Gupta, Ajay

    2009-07-01

    Self-diffusion in ion-beam-sputtered nanocrystalline Fe is studied between 310 and 510°C , using neutron reflectometry on [Fnate(7nm)/F57e(3nm)]15 isotope multilayers. Neutron reflectometry has the advantage over other methods of diffusivity determination, that diffusion lengths on the order of 1 nm and below can be determined. This enables diffusion experiments in a nanostructure which is not significantly modified by grain growth during annealing. The determined diffusivities are time depended and decrease by more than two orders of magnitude during isothermal annealing. In early stages, diffusion is controlled by frozen-in nonequilibrium point defects (interstitials or vacancies) present after deposition. The decrease in the diffusivities can be attributed to the annihilation of these point defects. For very long annealing times the diffusivities above 400°C are in good agreement with volume diffusivities measured in single crystals given in literature. However, at a temperature of 400°C and below the diffusivities are still higher than extrapolated literature data also after more than 8 days of annealing, indicating that defect annihilation is still going on.

  20. Direct Neutron Capture Calculations with Covariant Density Functional Theory Inputs

    NASA Astrophysics Data System (ADS)

    Zhang, Shi-Sheng; Peng, Jin-Peng; Smith, Michael S.; Arbanas, Goran; Kozub, Ray L.

    2014-09-01

    Predictions of direct neutron capture are of vital importance for simulations of nucleosynthesis in supernovae, merging neutron stars, and other astrophysical environments. We calculate the direct capture cross sections for E1 transitions using nuclear structure information from a covariant density functional theory as input for the FRESCO coupled-channels reaction code. We find good agreement of our predictions with experimental cross section data on the double closed-shell targets 16O, 48Ca, and 90Zr, and the exotic nucleus 36S. Extensions of the technique for unstable nuclei and for large-scale calculations will be discussed. Predictions of direct neutron capture are of vital importance for simulations of nucleosynthesis in supernovae, merging neutron stars, and other astrophysical environments. We calculate the direct capture cross sections for E1 transitions using nuclear structure information from a covariant density functional theory as input for the FRESCO coupled-channels reaction code. We find good agreement of our predictions with experimental cross section data on the double closed-shell targets 16O, 48Ca, and 90Zr, and the exotic nucleus 36S. Extensions of the technique for unstable nuclei and for large-scale calculations will be discussed. Supported by the U.S. Dept. of Energy, Office of Nuclear Physics.

  1. Testing general metric theories of gravity with bursting neutron stars

    NASA Astrophysics Data System (ADS)

    Psaltis, Dimitrios

    2008-03-01

    I show that several observable properties of bursting neutron stars in metric theories of gravity can be calculated using only conservation laws, Killing symmetries, and the Einstein equivalence principle, without requiring the validity of the general relativistic field equations. I calculate, in particular, the gravitational redshift of a surface atomic line, the touchdown luminosity of a radius-expansion burst, which is believed to be equal to the Eddington critical luminosity, and the apparent surface area of a neutron star as measured during the cooling tails of bursts. I show that, for a general metric theory of gravity, the apparent surface area of a neutron star depends on the coordinate radius of the stellar surface and on its gravitational redshift in the exact same way as in general relativity. On the other hand, the Eddington critical luminosity depends also on an additional parameter that measures the degree to which the general relativistic field equations are satisfied. These results can be used in conjunction with current and future high-energy observations of bursting neutron stars to test general relativity in the strong-field regime.

  2. Testing general metric theories of gravity with bursting neutron stars

    SciTech Connect

    Psaltis, Dimitrios

    2008-03-15

    I show that several observable properties of bursting neutron stars in metric theories of gravity can be calculated using only conservation laws, Killing symmetries, and the Einstein equivalence principle, without requiring the validity of the general relativistic field equations. I calculate, in particular, the gravitational redshift of a surface atomic line, the touchdown luminosity of a radius-expansion burst, which is believed to be equal to the Eddington critical luminosity, and the apparent surface area of a neutron star as measured during the cooling tails of bursts. I show that, for a general metric theory of gravity, the apparent surface area of a neutron star depends on the coordinate radius of the stellar surface and on its gravitational redshift in the exact same way as in general relativity. On the other hand, the Eddington critical luminosity depends also on an additional parameter that measures the degree to which the general relativistic field equations are satisfied. These results can be used in conjunction with current and future high-energy observations of bursting neutron stars to test general relativity in the strong-field regime.

  3. Field theory of propagating reaction-diffusion fronts

    SciTech Connect

    Escudero, C.

    2004-10-01

    The problem of velocity selection of reaction-diffusion fronts has been widely investigated. While the mean-field limit results are well known theoretically, there is a lack of analytic progress in those cases in which fluctuations are to be taken into account. Here, we construct an analytic theory connecting the first principles of the reaction-diffusion process to an effective equation of motion via field-theoretic arguments, and we arrive at results already confirmed by numerical simulations.

  4. Understanding diffusion theory and Fick's law through food and cooking.

    PubMed

    Zhou, Larissa; Nyberg, Kendra; Rowat, Amy C

    2015-09-01

    Diffusion is critical to physiological processes ranging from gas exchange across alveoli to transport within individual cells. In the classroom, however, it can be challenging to convey the concept of diffusion on the microscopic scale. In this article, we present a series of three exercises that use food and cooking to illustrate diffusion theory and Fick's first law. These exercises are part of a 10-wk undergraduate course that uses food and cooking to teach fundamental concepts in physiology and biophysics to students, including nonscience majors. Consistent demonstration of practical applications in a classroom setting has the potential to fundamentally change how students view the role of science in their lives (15).

  5. Neutron diffusion in a randomly inhomogeneous multiplying medium with random phase approximation

    NASA Astrophysics Data System (ADS)

    Imre, Kaya; Akcasu, A. Ziya

    2012-06-01

    Neutron diffusion in a randomly inhomogeneous multiplying medium is studied. By making use of a random phase assumption we show that the average neutron density approximately satisfies an integral equation in Fourier space, which is solved using Kummer functions. We used multi-dimensional formulation. In the case of one dimension, we obtain the result of Rosenbluth and Tao for the mean total density for large t. In the three-dimensional case, a closed form of solution is derived for the mean total neutron density. Its asymptotic behavior is also investigated for large t.

  6. Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering.

    PubMed

    Bremmer, Rolf H; van Gemert, Martin J C; Faber, Dirk J; van Leeuwen, Ton G; Aalders, Maurice C G

    2013-08-01

    Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20  mm-1 at reduced scattering coefficients of 1 and 11.5  mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt.38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys.19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt.38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as blood stains and cloth at crime

  7. Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering

    NASA Astrophysics Data System (ADS)

    Bremmer, Rolf H.; van Gemert, Martin J. C.; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

    2013-08-01

    Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20 m at reduced scattering coefficients of 1 and 11.5 mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys. 19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as

  8. Diffusion theory in biology: a relic of mechanistic materialism.

    PubMed

    Agutter, P S; Malone, P C; Wheatley, D N

    2000-01-01

    Diffusion theory explains in physical terms how materials move through a medium, e.g. water or a biological fluid. There are strong and widely acknowledged grounds for doubting the applicability of this theory in biology, although it continues to be accepted almost uncritically and taught as a basis of both biology and medicine. Our principal aim is to explore how this situation arose and has been allowed to continue seemingly unchallenged for more than 150 years. The main shortcomings of diffusion theory will be briefly reviewed to show that the entrenchment of this theory in the corpus of biological knowledge needs to be explained, especially as there are equally valid historical grounds for presuming that bulk fluid movement powered by the energy of cell metabolism plays a prominent note in the transport of molecules in the living body. First, the theory's evolution, notably from its origins in connection with the mechanistic materialist philosophy of mid nineteenth century physiology, is discussed. Following this, the entrenchment of the theory in twentieth century biology is analyzed in relation to three situations: the mechanism of oxygen transport between air and mammalian tissues; the structure and function of cell membranes; and the nature of the intermediary metalbolism, with its implicit presumptions about the intracellular organization and the movement of molecules within it. In our final section, we consider several historically based alternatives to diffusion theory, all of which have their precursors in nineteenth and twentieth century philosophy of science.

  9. Revisiting blob theory for DNA diffusivity in slitlike confinement

    PubMed Central

    Dai, Liang; Tree, Douglas R.; van der Maarel, Johan R. C.; Dorfman, Kevin D.; Doyle, Patrick S.

    2013-01-01

    Blob theory has been widely applied to describe polymer conformations and dynamics in nanoconfinement. In slit confinement, blob theory predicts a scaling exponent of 2/3 for polymer diffusivity as a function of slit height, yet a large body of experimental studies using DNA produce a scaling exponent significantly less than 2/3. In this work, we develop a theory that predicts that this discrepancy occurs because the segment correlation function for a semiflexible chain such as DNA does not follow the Flory exponent for length scales smaller than the persistence length. We show that these short length scale effects contribute significantly to the scaling for the DNA diffusivity, but do not appreciably affect the scalings for static properties. Our theory is fully supported by Monte Carlo simulations, quantitative agreement with DNA experiments, and the results reconcile this outstanding problem for confined polymers. PMID:23679643

  10. Integro-differential diffusion equation and neutron scattering experiment

    NASA Astrophysics Data System (ADS)

    Sau Fa, Kwok

    2015-02-01

    An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations which includes short, intermediate and long-time memory effects. Analytical expression for the intermediate scattering function is obtained and applied to ribonucleic acid (RNA) hydration water data from torula yeast. The model can capture the dynamics of hydrogen atoms in RNA hydration water, including the long-relaxation times.

  11. Lambda modes of the neutron diffusion equation in hexagonal geometry

    SciTech Connect

    Barrachina, T.; Ginestar, D.; Verdu, G.

    2006-07-01

    A nodal collocation method is proposed to compute the dominant Lambda modes of nuclear reactor core with a hexagonal geometry. This method is based on a triangular mesh and assumes that the neutronic flux can be approximated as a finite expansion in terms of Dubiner's polynomials. The method transforms the initial differential eigenvalue problem into a generalized algebraic one, from which the dominant modes of the reactor can be computed. The performance of the method is tested with two benchmark problems. (authors)

  12. First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

    SciTech Connect

    Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; Wei, Su -Huai

    2015-02-17

    The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is general for many other systems.

  13. First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

    DOE PAGES

    Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; Wei, Su -Huai

    2015-02-17

    The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is generalmore » for many other systems.« less

  14. Extending Molecular Theory to Steady-State Diffusing Systems

    SciTech Connect

    FRINK,LAURA J. D.; SALINGER,ANDREW G.; THOMPSON,AIDAN P.

    1999-10-22

    Predicting the properties of nonequilibrium systems from molecular simulations is a growing area of interest. One important class of problems involves steady state diffusion. To study these cases, a grand canonical molecular dynamics approach has been developed by Heffelfinger and van Swol [J. Chem. Phys., 101, 5274 (1994)]. With this method, the flux of particles, the chemical potential gradients, and density gradients can all be measured in the simulation. In this paper, we present a complementary approach that couples a nonlocal density functional theory (DFT) with a transport equation describing steady-state flux of the particles. We compare transport-DFT predictions to GCMD results for a variety of ideal (color diffusion), and nonideal (uphill diffusion and convective transport) systems. In all cases excellent agreement between transport-DFT and GCMD calculations is obtained with diffusion coefficients that are invariant with respect to density and external fields.

  15. Multigroup 3-Dimensional Neutron Diffusion Nodal Code System with Thermohydraulic Feedbacks.

    1994-02-07

    Version 01 GNOMER is a program which solves the multigroup neutron diffusion equation on coarse mesh in 1D, 2D, and 3D Cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks) as well as power distributions and homogenized cross sections over a fuel assembly.

  16. Extreme neutron stars from Extended Theories of Gravity

    SciTech Connect

    Astashenok, Artyom V.; Capozziello, Salvatore; Odintsov, Sergei D. E-mail: capozziello@na.infn.it

    2015-01-01

    We discuss neutron stars with strong magnetic mean fields in the framework of Extended Theories of Gravity. In particular, we take into account models derived from f(R) and f(G) extensions of General Relativity where functions of the Ricci curvature invariant R and the Gauss-Bonnet invariant G are respectively considered. Dense matter in magnetic mean field, generated by magnetic properties of particles, is described by assuming a model with three meson fields and baryons octet. As result, the considerable increasing of maximal mass of neutron stars can be achieved by cubic corrections in f(R) gravity. In principle, massive stars with M > 4M{sub ☉} can be obtained. On the other hand, stable stars with high strangeness fraction (with central densities ρ{sub c} ∼ 1.5–2.0 GeV/fm{sup 3}) are possible considering quadratic corrections of f(G) gravity. The magnetic field strength in the star center is of order 6–8 × 10{sup 18} G. In general, we can say that other branches of massive neutron stars are possible considering the extra pressure contributions coming from gravity extensions. Such a feature can constitute both a probe for alternative theories and a way out to address anomalous self-gravitating compact systems.

  17. Possible theoretical explanations for occasional days of non-field-aligned diffusion at neutron monitor energies

    NASA Technical Reports Server (NTRS)

    Forman, M. A.

    1975-01-01

    It has been shown previously (Anath et al., 1973 and Kane, 1974) that 20 to 25% of days, the diffusion component of the cosmic-ray neutron diurnal anisotropy is directed more than 30 degrees away from the ecliptic projection of the interplanetary magnetic field averaged over the same 24 hours. A number of explanations for this deviation are discussed and it is concluded that transverse gradient drifts due to gradients perpendicular to the ecliptic are likely, that diurnal variations in the diffusion component of the neutron anisotropy may affect results from single stations and that the 24 hour mean interplanetary magnetic field may not be the field appropriate to the streaming equation at neutron monitor energies.

  18. Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

    SciTech Connect

    Sakuma, Takashi Makhsun,; Sakai, Ryutaro; Xianglian; Takahashi, Haruyuki; Basar, Khairul; Igawa, Naoki; Danilkin, Sergey A.

    2015-04-16

    Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

  19. Diffusion of water in nano-porous polyamide membranes: Quasielastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Sharma, V. K.; Mitra, S.; Singh, P.; Jurányi, F.; Mukhopadhyay, R.

    2010-10-01

    Dynamics of water sorbed in a reverse osmosis polyamide membrane (ROPM) as studied by quasielastic neutron scattering (QENS) is reported here. The trimesoylchloride-m-phenylene diamine based ROPM is synthesized by interfacial polymerization technique. QENS data indicates that translational motion of water confined in ROPM gets modified compared to bulk water whereas rotational motion remains unaltered. Translational motion of water in ROPM is found to follow random jump diffusion with lower diffusivity compared to bulk water. Translational diffusivity does not show the Arrhenius behaviour.

  20. VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system. Version 3

    SciTech Connect

    Shapiro, A.; Huria, H.C.; Cho, K.W.

    1991-12-01

    VENTURE/PC is a recompilation of part of the Oak Ridge BOLD VENTURE code system, which will operate on an IBM PC or compatible computer. Neutron diffusion theory solutions are obtained for multidimensional, multigroup problems. This manual contains information associated with operating the code system. The purpose of the various modules used in the code system, and the input for these modules are discussed. The PC code structure is also given. Version 2 included several enhancements not given in the original version of the code. In particular, flux iterations can be done in core rather than by reading and writing to disk, for problems which allow sufficient memory for such in-core iterations. This speeds up the iteration process. Version 3 does not include any of the special processors used in the previous versions. These special processors utilized formatted input for various elements of the code system. All such input data is now entered through the Input Processor, which produces standard interface files for the various modules in the code system. In addition, a Standard Interface File Handbook is included in the documentation which is distributed with the code, to assist in developing the input for the Input Processor.

  1. VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system

    SciTech Connect

    Shapiro, A.; Huria, H.C.; Cho, K.W. )

    1991-12-01

    VENTURE/PC is a recompilation of part of the Oak Ridge BOLD VENTURE code system, which will operate on an IBM PC or compatible computer. Neutron diffusion theory solutions are obtained for multidimensional, multigroup problems. This manual contains information associated with operating the code system. The purpose of the various modules used in the code system, and the input for these modules are discussed. The PC code structure is also given. Version 2 included several enhancements not given in the original version of the code. In particular, flux iterations can be done in core rather than by reading and writing to disk, for problems which allow sufficient memory for such in-core iterations. This speeds up the iteration process. Version 3 does not include any of the special processors used in the previous versions. These special processors utilized formatted input for various elements of the code system. All such input data is now entered through the Input Processor, which produces standard interface files for the various modules in the code system. In addition, a Standard Interface File Handbook is included in the documentation which is distributed with the code, to assist in developing the input for the Input Processor.

  2. Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering

    DOE PAGES

    Mamontov, Eugene

    2016-09-24

    In this paper, we present the first, to our knowledge, study of solid state oxygen translational diffusion by quasielastic neutron scattering. Such studies in the past might have been precluded by relatively low diffusivities of oxygen anions in the temperature range amenable to neutron scattering experiments. To explore the potential of the quasielastic scattering technique, which can deduce atomic diffusion jump length of oxygen anions through the momentum transfer dependence of the scattering signal, we have selected the fastest known oxygen conductor, bismuth oxide. Finally, we have found the oxygen anion jump length in excellent agreement with the nearest oxygen-vacancymore » distance in the anion sublattice of the fluorite-related structure of bismuth oxide.« less

  3. Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

    PubMed Central

    Gutmann, Matthias J.; Graziano, Gabriella; Mukhopadhyay, Sanghamitra; Refson, Keith; von Zimmerman, Martin

    2015-01-01

    Direct phonon excitation in a neutron time-of-flight single-crystal Laue diffraction experiment has been observed in a single crystal of NaCl. At room temperature both phonon emission and excitation leave characteristic features in the diffuse scattering and these are well reproduced using ab initio phonons from density functional theory (DFT). A measurement at 20 K illustrates the effect of thermal population of the phonons, leaving the features corresponding to phonon excitation and strongly suppressing the phonon annihilation. A recipe is given to compute these effects combining DFT results with the geometry of the neutron experiment. PMID:26306090

  4. Shear-Limited Diffusion and Viscosity: Experiments and Theory

    NASA Astrophysics Data System (ADS)

    Driscoll, C. Fred

    2001-10-01

    Experiments and theory on collisional diffusion and viscosity demonstrate enhanced transport in the 2D bounce-averaged regime, limited by shear in the plasma rotation. The experiments are performed on relatively quiescent pure-ion or pure electron plasma columns, where the shear in the drift rotation ωE (r) can be controlled accurately. For long plasma columns, we measure test particle diffusion(F. Anderegg, et al.), Phys. Rev. Lett. 78, 2128 (1997). and bulk viscosity(J.M. Kriesel and C.F. Driscoll, submitted to Phys. Rev. Lett. (2001).) coefficients which quantitatively agree with recent 3D theories(D.H.E. Dubin, Phys. Plasmas 5), 1688 (1998). of E × B drift collisions with impact parameters in the range rc < ρ < λ_D. In general, this transport is substantially greater than would be expected for velocity-scattering collisions with ρ < r_c. For finite plasma length L_p, thermal particles may bounce axially many times before rotational shear separates them in θ and this number of bounces Nb ≡ ( barv / 2L_p) / (r ; partial ωE / partial r) characterizes the approach to the 2D bounce-averaged regime. Experiments measuring electron viscosity coefficients and separate experiments measuring tagged ion diffusion coefficients each show transport enhancements up to 100×, scaling quantitatively as Nb over the range 1 < Nb < 10^2. In the zero-shear limit of Nb arrow ∞ , theory treats the particles as z-averaged rods of charge undergoing 2D E × B drift dynamics. For this case, Taylor and McNamara showed that Bohm-like diffusion results from large-scale thermally-excited ``Dawson-Okuda'' vortices. More recently, Dubin(D.H.E. Dubin and D.Z. Jin, Phys. Lett. A 284), 112 (2001). analyzed the 2D test-particle diffusion with applied background shear, showing that the particle diffusion decreases with increasing shear. Overall, this new theory gives fair quantitative agreement with the diffusion experiments from the 3D (or high shear) regime with Nb <= 1 to the 2D (or

  5. Models of geochemical systems from mixture theory: diffusion

    SciTech Connect

    Kirwan, A.D. Jr; Kump, L.R.

    1987-05-01

    The problem of diffusion of a geochemical component in a natural environment is investigated from the standpoint of mixture theory. The approach here differs from previous diffusion studies in that both the conservation of mass and momentum for the component is considered. This approach avoids parameterizing the diffusive flux in the mass equation by Fick's law. It is shown that when the momentum equation is included with the mass equation, the linear approximation for the space-time distribution of a solute in a binary system is the telegraph equation, well known from electrodynamics. This contrasts with the diffusion equation, which relies on introducing the Fick's law assumption into the conservation of mass equation for the solute. Solutions for both the diffusion and telegraph equation models are obtained and compared for the case of migration of a minor component into the sea bed when the sediment-water interface concentration is a prescribed function of time. Although the stationary, steady state solutions of the telegraph and diffusion equations are identical, the former has a transient solution in which fluctuations propagate at finite speed. The Fickian assumption, in contrast, requires an infinite speed of propagation.

  6. Determination of wax deposition and corrosion in pipelines by neutron back diffusion collimation and neutron capture gamma rays.

    PubMed

    Abdul-Majid, Samir

    2013-04-01

    Wax deposition in pipelines can be very costly for plant operation in oil industry. New techniques are needed for allocation and thickness determination of wax deposits. The timely removal of wax can make large saving in operational cost. Neutron back diffusion and neutron capture gamma rays were used in this study to measure paraffin, asphalt and polyethylene deposition thicknesses inside pipes and to enable simultaneous determination of scale and pipe corrosion. It was possible to determine a thickness change of less than one mm in 2 min. It was also possible to detect localized scale from a small region of the pipe of approximately 2 cm in diameter. Although experiments were performed in lab, the system can be made portable for field applications.

  7. Determination of wax deposition and corrosion in pipelines by neutron back diffusion collimation and neutron capture gamma rays.

    PubMed

    Abdul-Majid, Samir

    2013-04-01

    Wax deposition in pipelines can be very costly for plant operation in oil industry. New techniques are needed for allocation and thickness determination of wax deposits. The timely removal of wax can make large saving in operational cost. Neutron back diffusion and neutron capture gamma rays were used in this study to measure paraffin, asphalt and polyethylene deposition thicknesses inside pipes and to enable simultaneous determination of scale and pipe corrosion. It was possible to determine a thickness change of less than one mm in 2 min. It was also possible to detect localized scale from a small region of the pipe of approximately 2 cm in diameter. Although experiments were performed in lab, the system can be made portable for field applications. PMID:23410615

  8. Comparison of neutron diffusion and Monte Carlo models for a fission wave

    SciTech Connect

    Osborne, A. G.; Deinert, M. R.

    2013-07-01

    Many groups have used neutron diffusion simulations to study fission wave phenomena in natural or depleted uranium. However, few studies of fission wave phenomena have been published that use Monte Carlo simulations to confirm the results of diffusion models for this type of system. In the present work we show the results of a criticality and burnup simulation of a traveling wave reactor using MCNPX 2.7.0. The characteristics of the fission wave in this simulation are compared with those from a simple one-dimensional, one-group neutron diffusion model. The diffusion simulations produce a wave speed of 5.9 cm/yr versus 5.3 cm/yr for the Monte Carlo simulations. The axial flux profile in the Monte Carlo simulation is similar in shape to the diffusion results, but with different peak values, and the two profiles have an R2 value of 0.93. The {sup 238}U, {sup 239}Np and {sup 239}Pu burnup profiles from the diffusion simulation show good agreement with the Monte Carlo simulations, R values of 0.98, 0.93 and 0.97 respectively are observed. (authors)

  9. Axial expansion methods for solution of the multi-dimensional neutron diffusion equation

    SciTech Connect

    Beaklini Filho, J.F.

    1984-01-01

    The feasibility and practical implementation of axial expansion methods for the solution of the multi-dimensional multigroup neutron diffusion (MGD) equations is investigated. The theoretical examination which is applicable to the general MGD equations in arbitrary geometry includes the derivation of a new weak (reduced) form of the MGD equations by expanding the axial component of the neutron flux in a series of known trial functions and utilizing the Galerkin weighting. A general two-group albedo boundary condition is included in the weak form as a natural boundary condition. The application of different types of trial functions is presented.

  10. GPU-accelerated 3D neutron diffusion code based on finite difference method

    SciTech Connect

    Xu, Q.; Yu, G.; Wang, K.

    2012-07-01

    Finite difference method, as a traditional numerical solution to neutron diffusion equation, although considered simpler and more precise than the coarse mesh nodal methods, has a bottle neck to be widely applied caused by the huge memory and unendurable computation time it requires. In recent years, the concept of General-Purpose computation on GPUs has provided us with a powerful computational engine for scientific research. In this study, a GPU-Accelerated multi-group 3D neutron diffusion code based on finite difference method was developed. First, a clean-sheet neutron diffusion code (3DFD-CPU) was written in C++ on the CPU architecture, and later ported to GPUs under NVIDIA's CUDA platform (3DFD-GPU). The IAEA 3D PWR benchmark problem was calculated in the numerical test, where three different codes, including the original CPU-based sequential code, the HYPRE (High Performance Pre-conditioners)-based diffusion code and CITATION, were used as counterpoints to test the efficiency and accuracy of the GPU-based program. The results demonstrate both high efficiency and adequate accuracy of the GPU implementation for neutron diffusion equation. A speedup factor of about 46 times was obtained, using NVIDIA's Geforce GTX470 GPU card against a 2.50 GHz Intel Quad Q9300 CPU processor. Compared with the HYPRE-based code performing in parallel on an 8-core tower server, the speedup of about 2 still could be observed. More encouragingly, without any mathematical acceleration technology, the GPU implementation ran about 5 times faster than CITATION which was speeded up by using the SOR method and Chebyshev extrapolation technique. (authors)

  11. Neutron supermirrors: an accurate theory for layer thickness computation

    NASA Astrophysics Data System (ADS)

    Bray, Michael

    2001-11-01

    We present a new theory for the computation of Super-Mirror stacks, using accurate formulas derived from the classical optics field. Approximations are introduced into the computation, but at a later stage than existing theories, providing a more rigorous treatment of the problem. The final result is a continuous thickness stack, whose properties can be determined at the outset of the design. We find that the well-known fourth power dependence of number of layers versus maximum angle is (of course) asymptotically correct. We find a formula giving directly the relation between desired reflectance, maximum angle, and number of layers (for a given pair of materials). Note: The author of this article, a classical opticist, has limited knowledge of the Neutron world, and begs forgiveness for any shortcomings, erroneous assumptions and/or misinterpretation of previous authors' work on the subject.

  12. Elastic diffuse scattering of neutrons in FeNi Invar alloys

    NASA Astrophysics Data System (ADS)

    Tsunoda, Y.; Hao, L.; Shimomura, S.; Ye, F.; Robertson, J. L.; Fernandez-Baca, J.

    2008-09-01

    Elastic diffuse scattering of neutrons was found around various Bragg-peak positions in FeNi Invar alloys. The diffuse scattering intensities depend on the temperature and Ni concentration. The intensities increase with decreasing temperature and decrease with increasing Ni concentration. The distribution of diffuse scattering intensity changes from peak to peak and is well explained by the formation of clusters with a lattice deformation consisting of a shear wave propagating along the ⟨110⟩ direction and with the ⟨1-10⟩ polarization vector. The ranges of temperature and Ni concentration, for which diffuse scattering is observed, coincide with those for which the Invar anomalies are observable. The origin of the clusters together with the lattice deformation and their role with regard to the Invar effects are discussed as well as the possibility of a precursor for the fcc-bcc martensitic transformation observed in FeNi alloys.

  13. Br diffusion in molten NaBr explored by coherent quasielastic neutron scattering.

    PubMed

    Demmel, F; Alcaraz, O; Trullas, J

    2016-04-01

    Molten sodium bromide has been investigated by quasielastic neutron scattering focusing on the wave vector range around the first structure factor peak. The linewidth of the scattering function shows a narrowing around the wave number of the structure factor peak, known as deGennes narrowing. In a monatomic system, this narrowing or in the time domain slowing down, has been related to a self-diffusion process of the caged particle. Here we show that this methodology can be applied to the molten alkali halide NaBr. The incoherent scattering from the sodium ions at small wave vectors provides the self-diffusion coefficient of sodium and the dynamics of bromine ions can be studied at wave numbers around the structure factor peak. With input from molecular dynamics simulations on the partial structure factors, diffusion coefficients of the bromine ions can be obtained. These experimentally derived diffusion coefficients are in good agreement with molecular dynamics simulation results. This methodology to extract self-diffusion coefficients from coherent quasielastic neutron scattering is applicable to binary fluids in general when one particle dominates the scattering response at the structure factor maximum. PMID:27176349

  14. Applying nonlinear diffusion acceleration to the neutron transport k-Eigenvalue problem with anisotropic scattering

    DOE PAGES

    Willert, Jeffrey; Park, H.; Taitano, William

    2015-11-01

    High-order/low-order (or moment-based acceleration) algorithms have been used to significantly accelerate the solution to the neutron transport k-eigenvalue problem over the past several years. Recently, the nonlinear diffusion acceleration algorithm has been extended to solve fixed-source problems with anisotropic scattering sources. In this paper, we demonstrate that we can extend this algorithm to k-eigenvalue problems in which the scattering source is anisotropic and a significant acceleration can be achieved. Lastly, we demonstrate that the low-order, diffusion-like eigenvalue problem can be solved efficiently using a technique known as nonlinear elimination.

  15. Applying nonlinear diffusion acceleration to the neutron transport k-Eigenvalue problem with anisotropic scattering

    SciTech Connect

    Willert, Jeffrey; Park, H.; Taitano, William

    2015-10-12

    High-order/low-order (or moment-based acceleration) algorithms have been used to significantly accelerate the solution to the neutron transport k-eigenvalue problem over the past several years. Recently, the nonlinear diffusion acceleration algorithm has been extended to solve fixed-source problems with anisotropic scattering sources. In this paper, we demonstrate that we can extend this algorithm to k-eigenvalue problems in which the scattering source is anisotropic and a significant acceleration can be achieved. Lastly, we demonstrate that the low-order, diffusion-like eigenvalue problem can be solved efficiently using a technique known as nonlinear elimination.

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

    NASA Technical Reports Server (NTRS)

    Giere, A. C.

    1977-01-01

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

  17. A diffusivity model for predicting VOC diffusion in porous building materials based on fractal theory.

    PubMed

    Liu, Yanfeng; Zhou, Xiaojun; Wang, Dengjia; Song, Cong; Liu, Jiaping

    2015-12-15

    Most building materials are porous media, and the internal diffusion coefficients of such materials have an important influences on the emission characteristics of volatile organic compounds (VOCs). The pore structure of porous building materials has a significant impact on the diffusion coefficient. However, the complex structural characteristics bring great difficulties to the model development. The existing prediction models of the diffusion coefficient are flawed and need to be improved. Using scanning electron microscope (SEM) observations and mercury intrusion porosimetry (MIP) tests of typical porous building materials, this study developed a new diffusivity model: the multistage series-connection fractal capillary-bundle (MSFC) model. The model considers the variable-diameter capillaries formed by macropores connected in series as the main mass transfer paths, and the diameter distribution of the capillary bundles obeys a fractal power law in the cross section. In addition, the tortuosity of the macrocapillary segments with different diameters is obtained by the fractal theory. Mesopores serve as the connections between the macrocapillary segments rather than as the main mass transfer paths. The theoretical results obtained using the MSFC model yielded a highly accurate prediction of the diffusion coefficients and were in a good agreement with the VOC concentration measurements in the environmental test chamber. PMID:26291782

  18. The neutron-gamma Feynman variance to mean approach: Gamma detection and total neutron-gamma detection (theory and practice)

    NASA Astrophysics Data System (ADS)

    Chernikova, Dina; Axell, Kåre; Avdic, Senada; Pázsit, Imre; Nordlund, Anders; Allard, Stefan

    2015-05-01

    Two versions of the neutron-gamma variance to mean (Feynman-alpha method or Feynman-Y function) formula for either gamma detection only or total neutron-gamma detection, respectively, are derived and compared in this paper. The new formulas have particular importance for detectors of either gamma photons or detectors sensitive to both neutron and gamma radiation. If applied to a plastic or liquid scintillation detector, the total neutron-gamma detection Feynman-Y expression corresponds to a situation where no discrimination is made between neutrons and gamma particles. The gamma variance to mean formulas are useful when a detector of only gamma radiation is used or when working with a combined neutron-gamma detector at high count rates. The theoretical derivation is based on the Chapman-Kolmogorov equation with the inclusion of general reactions and corresponding intensities for neutrons and gammas, but with the inclusion of prompt reactions only. A one energy group approximation is considered. The comparison of the two different theories is made by using reaction intensities obtained in MCNPX simulations with a simplified geometry for two scintillation detectors and a 252Cf-source. In addition, the variance to mean ratios, neutron, gamma and total neutron-gamma are evaluated experimentally for a weak 252Cf neutron-gamma source, a 137Cs random gamma source and a 22Na correlated gamma source. Due to the focus being on the possibility of using neutron-gamma variance to mean theories for both reactor and safeguards applications, we limited the present study to the general analytical expressions for Feynman-alpha formulas.

  19. Anomalous transport and diffusion versus extreme value theory

    NASA Astrophysics Data System (ADS)

    Kozłowska, Marzena; Kutner, Ryszard

    2005-11-01

    In the present work we match the biased hierarchical continuous-time random flight (HCTRF) on a regular lattice (based on hierarchical waiting-time distribution) and the extreme event theory (EVT). This approach extends the understanding of the anomalous transport and diffusion (for example, found in some amorphous, vitreous solids as well as in conducting and light-emitting organic polymers). Both independent approaches were developed in terms of random-trap or valley model where the disorder of energy landscape is exponentially distributed while the corresponding mean residence times in traps obey the power-law. This type of disorder characterizes several amorphous (even used commercially) materials which makes it possible to apply the HCTRF formalism. By using the EVT we additionally show that the rare (stochastic) events are indeed responsible for the transport and diffusion in these materials.

  20. Application of optical diffusion theory to transcutaneous bilirubinometry

    NASA Astrophysics Data System (ADS)

    Spott, Thorsten; Svaasand, Lars O.; Anderson, R. E.; Schmedling, P. F.

    1998-01-01

    Neonatal hyperbilirubinemia affects more than half of the newborns and represents a potentially serious condition due to the toxicity of bilirubin to the central nervous system. A precise non-invasive technique for the monitoring of bilirubin concentration is desirable for the treatment of icteric babies. Transcutaneous bilirubinometry based on optical reflectance spectra is complicated by the superposition of the spectral absorption properties of melanin and haemoglobin with those of bilirubin. Diffusion theory forms a suitable model for the description of light propagation in tissue. In this treatment, an inverse diffusion approach is developed to measure bilirubin concentration in tissue by means of the reflectance spectrum. First results of its application to in vivo measurements are encouraging.

  1. Hydromagnetic waves and cosmic-ray diffusion theory

    NASA Technical Reports Server (NTRS)

    Lee, M. A.; Voelk, H. J.

    1975-01-01

    Pitch-angle (and energy) diffusion of cosmic rays in hydromagnetic wave fields is considered. The treatment remains strictly within the quasi-linear approximation. It is shown that the popular assumption of an isotropic power spectrum tensor of magnetic fluctuations requires in this case equal forms and magnitudes of Alfven and magnetosonic wave spectra - a situation which is generally unlikely. The relative contributions to the pitch-angle diffusion coefficient from the cyclotron resonances and Landau resonance due to the different types of waves are evaluated for a typical situation in the solar wind. Since the Landau resonance in this approximation also does not lead to particle reflections, a proper consideration of the nonlinear particle orbits is indeed necessary to overcome the well-known difficulties of quasi-linear scattering theory for cosmic rays near 90 deg pitch angle.

  2. An asteroseismic test of diffusion theory in white dwarfs

    NASA Astrophysics Data System (ADS)

    Metcalfe, T. S.; Nather, R. E.; Watson, T. K.; Kim, S.-L.; Park, B.-G.; Handler, G.

    2005-05-01

    The helium-atmosphere (DB) white dwarfs are commonly thought to be the descendants of the hotter PG 1159 stars, which initially have uniform He/C/O atmospheres. In this evolutionary scenario, diffusion builds a pure He surface layer which gradually thickens as the star cools. In the temperature range of the pulsating DB white dwarfs (T_eff ˜ 25 000 K) this transformation is still taking place, allowing asteroseismic tests of the theory. We have obtained dual-site observations of the pulsating DB star CBS 114, to complement existing observations of the slightly cooler star GD 358. We recover the 7 independent pulsation modes that were previously known, and we discover 4 new ones to provide additional constraints on the models. We perform objective global fitting of our updated double-layered envelope models to both sets of observations, leading to determinations of the envelope masses and pure He surface layers that qualitatively agree with the expectations of diffusion theory. These results provide new asteroseismic evidence supporting one of the central assumptions of spectral evolution theory, linking the DB white dwarfs to PG 1159 stars.

  3. Diffusion of lithium-6 isotopes in lithium aluminate ceramics using neutron depth profiling

    NASA Astrophysics Data System (ADS)

    McWhinney, Hylton G.; James, William D.; Schweikert, Emile A.; Williams, John R.; Hollenberg, Glen; Welsh, John; Sereatan, Washington

    1993-07-01

    Lithium Ceramics offer tremendous potential as a source for the production of tritium ( 3H) for fusion power reactors. Their successful application will depend to a great extent upon the diffusion properties of the 6Li within the matrix. Consequently knowledge od 6Li concentration gradients in the ceramic matrices is an important requirement in the continued development of the technology. In this investigation, the neutron depth profile (NDP) technique has been applied to the study of concentration profiles of 6Li in lithium aluminate ceramics, doped with 1.8%, 50% and 95% 6Li isotopic concentrations. Specimen for analysis were prepared at Battelle (PNL) as pellet discs. Samples for diffusion studies were arranged as diffusion couples in the following manner: 1.8% 6Li discs/85% 6Li powder. Experiments were performed at the Texas A&M Nuclear Science Center Reactor Building, utilizing 1 MW equivalent thermal neutron fluxes 3 × 10 11n/ m2s. The depth probed by the technique is approximately 15 μ.m. Diffusion coefficients are in the range of 2.1 × 10 -12 to 7.0 × 10 -11m2s-1 for 1.8% 6Li-doped ceramics annealed at 1200 and 1400° C, for 4 to 48-h anneal times.

  4. Hydrogen diffusion in bulk and nanocrystalline palladium: A quasielastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Kofu, Maiko; Hashimoto, Naoki; Akiba, Hiroshi; Kobayashi, Hirokazu; Kitagawa, Hiroshi; Tyagi, Madhusudan; Faraone, Antonio; Copley, John R. D.; Lohstroh, Wiebke; Yamamuro, Osamu

    2016-08-01

    The diffusion dynamics of hydrogen in bulk and nanocrystalline palladium has been examined using quasielastic neutron scattering (QENS). With respect to bulk PdH0.73, two relaxation processes were found. For both processes, the variation of the relaxation times with momentum transfer was well reproduced by a model of jump diffusion between adjacent octahedral sites. Upon cooling the fast relaxation fraction decreases. The result suggests that the slow relaxation corresponds to jumps between the ground states and the fast one between excited states. In nanocrystalline PdH0.47 with a size of 8 nm, we found a fast diffusion process with a smaller activation energy in addition to the one observed in the bulk sample. This process could be due to the motion of hydrogen atoms in the subsurface region where the potential energy surface is substantially modified by surface strain/distortion effects.

  5. Verification, validation, and benchmarking report for TRIMHX: A three dimensional hexagonal transient diffusion theory code

    SciTech Connect

    Le, T.T.

    1992-03-01

    TRIMHX is a fundamental Reactor Analysis tool in use at the Savannah River Site (SRS) and is an integral part of the Generalized Reactor Analysis Subsystem (GRASS). TRIMHX solves the time dependent multigroup neutron diffusion equation in two and three dimensional hexagonal geometry by standard and coarse mesh finite difference methods. The TRIMHX implementation assumes the solution to this equation can be discretized in space, energy, and time. These are industry accepted approaches which can be found in many nuclear engineering books. This report concerns the verification and validation of TRIMHX, a transient two and three dimensional hex-z diffusion theory code. The validation was performed to determine the accuracy of the code, and the verification was performed to determine if the code was correctly using the correct theory and that all the subroutines function as required. For TRIMHX, the validation requirement was satisfied by comparing the results of the code with experiments and benchmarking the code against other standard or validated code results. The verification requirement for TRIMHX was performed indirectly since it is impossible and not necessary to reverify a large code like TRIMHX line by line. The extensive operations history of TRIMHX in conjunction with the comparisons against many numerical experiments (exact solutions) and other diffusion theory codes is sufficient to establish that the code is functioning as intended and therefore it is verified. This report summarizes four sets of experiments performed in 1974, 1977, and 1988, two DIF3D/TRIMHX comparison problems performed in 1991, a DIF3D/FX2-TH/TRIMHX comparison problem produced for this report, and the comparison of TRIMHX/GRIMHX initial static calculations. The results of these experiments show that TRIMHX was correctly implemented and is ready to submit into SCMS production mode.

  6. User's manual for GILDA: An infinite lattice diffusion theory calculation

    SciTech Connect

    Le, T.T.

    1991-11-01

    GILDA is a static two-dimensional diffusion theory code that performs either buckling (B[sup 2]) or k-effective (k[sub eff]) calculations for an infinite hexagonal lattice which is constructed by repeating identical seven-cell zones (one cell is one or seven identical homogenized hexes). GILDA was written by J. W. Stewart in 1973. This user's manual is intended to provide all of the information necessary to set up and execute a GILDA calculation and to interpret the output results. It is assumed that the user is familiar with the computer (VAX/VMS or IBM/MVS) and the JOSHUA system database on which the code is implemented. Users who are not familiar with the JOSHUA database are advised to consult additional references to understand the structure of JOSHUA records and data sets before turning to section 4 of this manual. Sections 2 and 3 of this manual serve as a theory document in which the basic diffusion theory and the numerical approximations behind the code are described. Section 4 describes the functions of the program's subroutines. Section 5 describes the input data and tutors the user how to set up a problem. Section 6 describes the output results and the error messages which may be encountered during execution. Users who only wish to learn how to run the code without understanding the theory can start from section 4 and use sections 2 and 3 as references. Finally, the VAX/VMS and the IBM execution command files together with sample input records are provided in the appendices at the end of this manual.

  7. Theory of diffusion-influenced reactions in complex geometries.

    PubMed

    Galanti, Marta; Fanelli, Duccio; Traytak, Sergey D; Piazza, Francesco

    2016-06-21

    Chemical transformations involving the diffusion of reactants and subsequent chemical fixation steps are generally termed "diffusion-influenced reactions" (DIR). Virtually all biochemical processes in living media can be counted among them, together with those occurring in an ever-growing number of emerging nano-technologies. The role of the environment's geometry (obstacles, compartmentalization) and distributed reactivity (competitive reactants, traps) is key in modulating the rate constants of DIRs, and is therefore a prime design parameter. Yet, it is a formidable challenge to build a comprehensive theory that is able to describe the environment's "reactive geometry". Here we show that such a theory can be built by unfolding this many-body problem through addition theorems for special functions. Our method is powerful and general and allows one to study a given DIR reaction occurring in arbitrary "reactive landscapes", made of multiple spherical boundaries of given size and reactivity. Importantly, ready-to-use analytical formulas can be derived easily in most cases.

  8. Theory of diffusion-influenced reactions in complex geometries.

    PubMed

    Galanti, Marta; Fanelli, Duccio; Traytak, Sergey D; Piazza, Francesco

    2016-06-21

    Chemical transformations involving the diffusion of reactants and subsequent chemical fixation steps are generally termed "diffusion-influenced reactions" (DIR). Virtually all biochemical processes in living media can be counted among them, together with those occurring in an ever-growing number of emerging nano-technologies. The role of the environment's geometry (obstacles, compartmentalization) and distributed reactivity (competitive reactants, traps) is key in modulating the rate constants of DIRs, and is therefore a prime design parameter. Yet, it is a formidable challenge to build a comprehensive theory that is able to describe the environment's "reactive geometry". Here we show that such a theory can be built by unfolding this many-body problem through addition theorems for special functions. Our method is powerful and general and allows one to study a given DIR reaction occurring in arbitrary "reactive landscapes", made of multiple spherical boundaries of given size and reactivity. Importantly, ready-to-use analytical formulas can be derived easily in most cases. PMID:27241805

  9. Theory of nanoparticle diffusion in unentangled and entangled polymer melts

    NASA Astrophysics Data System (ADS)

    Yamamoto, Umi; Schweizer, Kenneth S.

    2011-12-01

    We propose a statistical dynamical theory for the violation of the hydrodynamic Stokes-Einstein (SE) diffusion law for a spherical nanoparticle in entangled and unentangled polymer melts based on a combination of mode coupling, Brownian motion, and polymer physics ideas. The non-hydrodynamic friction coefficient is related to microscopic equilibrium structure and the length-scale-dependent polymer melt collective density fluctuation relaxation time. When local packing correlations are neglected, analytic scaling laws (with numerical prefactors) in various regimes are derived for the non-hydrodynamic diffusivity as a function of particle size, polymer radius-of-gyration, tube diameter, degree of entanglement, melt density, and temperature. Entanglement effects are the origin of large SE violations (orders of magnitude mobility enhancement) which smoothly increase as the ratio of particle radius to tube diameter decreases. Various crossover conditions for the recovery of the SE law are derived, which are qualitatively distinct for unentangled and entangled melts. The dynamical influence of packing correlations due to both repulsive and interfacial attractive forces is investigated. A central finding is that melt packing fraction, temperature, and interfacial attraction strength all influence the SE violation in qualitatively different directions depending on whether the polymers are entangled or not. Entangled systems exhibit seemingly anomalous trends as a function of these variables as a consequence of the non-diffusive nature of collective density fluctuation relaxation and the different response of polymer-particle structural correlations to adsorption on the mesoscopic entanglement length scale. The theory is in surprisingly good agreement with recent melt experiments, and new parametric studies are suggested.

  10. Theory of exciton transfer and diffusion in conjugated polymers

    SciTech Connect

    Barford, William; Tozer, Oliver Robert

    2014-10-28

    We describe a theory of Förster-type exciton transfer between conjugated polymers. The theory is built on three assumptions. First, we assume that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, and described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω < J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. The resulting expression for the exciton transfer rate has a familiar form, being a function of the exciton transfer integral and the effective Franck-Condon factors. The effective Franck-Condon factors are functions of the effective Huang-Rhys parameters, which are inversely proportional to the chromophore size. The Born-Oppenheimer expressions were checked against DMRG calculations, and are found to be within 10% of the exact value for a tiny fraction of the computational cost. This theory of exciton transfer is then applied to model exciton migration in conformationally disordered poly(p-phenylene vinylene). Key to this modeling is the assumption that the donor and acceptor chromophores are defined by local exciton ground states (LEGSs). Since LEGSs are readily determined by the exciton center-of-mass wavefunction, this theory provides a quantitative link between polymer conformation and exciton migration. Our Monte Carlo simulations indicate that the exciton diffusion length depends weakly on the conformation of the polymer, with the diffusion length increasing slightly as the chromophores became straighter and longer. This is largely a geometrical effect: longer and straighter chromophores extend over larger distances. The calculated diffusion lengths of ∼10 nm are in good agreement with experiment. The spectral

  11. Lie group invariant finite difference schemes for the neutron diffusion equation

    SciTech Connect

    Jaegers, P.J.

    1994-06-01

    Finite difference techniques are used to solve a variety of differential equations. For the neutron diffusion equation, the typical local truncation error for standard finite difference approximation is on the order of the mesh spacing squared. To improve the accuracy of the finite difference approximation of the diffusion equation, the invariance properties of the original differential equation have been incorporated into the finite difference equations. Using the concept of an invariant difference operator, the invariant difference approximations of the multi-group neutron diffusion equation were determined in one-dimensional slab and two-dimensional Cartesian coordinates, for multiple region problems. These invariant difference equations were defined to lie upon a cell edged mesh as opposed to the standard difference equations, which lie upon a cell centered mesh. Results for a variety of source approximations showed that the invariant difference equations were able to determine the eigenvalue with greater accuracy, for a given mesh spacing, than the standard difference approximation. The local truncation errors for these invariant difference schemes were found to be highly dependent upon the source approximation used, and the type of source distribution played a greater role in determining the accuracy of the invariant difference scheme than the local truncation error.

  12. Incoherent Quasielastic Neutron Scattering study of hydrogen diffusion in thorium-zirconium hydrides

    NASA Astrophysics Data System (ADS)

    Terrani, Kurt A.; Mamontov, Eugene; Balooch, Mehdi; Olander, Donald R.

    2010-06-01

    Monophase thorium-zirconium hydrides (ThZr 2H x) have been fabricated starting from a metallic alloy and the hydrogen stoichiometry determined by X-ray diffraction. Incoherent Quasielastic Neutron Scattering (IQNS) on the hydrides was conducted over the temperature range 650-750 K at the Backscattering Silicon Spectrometer (BASIS) at the Spallation Neutron Source (SNS) at ORNL. The isotropic Chudley-Elliott model was utilized to analyze the quasielastic linewidth broadening data as function of momentum transfer. The diffusion coefficient and average jump distance of hydrogen atoms in ThZr 2H 5.6 and ThZr 2H 6.2 were extracted from the measurements.

  13. Ab initio modeling of quasielastic neutron scattering of hydrogen pipe diffusion in palladium

    NASA Astrophysics Data System (ADS)

    Schiavone, Emily J.; Trinkle, Dallas R.

    2016-08-01

    A recent quasielastic neutron scattering (QENS) study of hydrogen in heavily deformed fcc palladium provided the first direct measurement of hydrogen pipe diffusion, which has a significantly higher diffusivity and lower activation barrier than in bulk. While ab initio estimates of hydrogen diffusion near a dislocation corroborated the experimental values, open questions remain from the Chudley-Elliott analysis of the QENS spectra, including significant nonmonotonic changes in jump distance with temperature. We calculate the spherically averaged incoherent scattering function at different temperatures using our ab initio data for the network of site energies, jump rates, and jump vectors to directly compare to experiment. Diffusivities and jump distances are sensitive to how a single Lorentzian is fit to the scattering function. Using a logarithmic least squares fit over the range of experimentally measured energies, our diffusivities and jump distances agree well with those measured by experiment. However, these calculated quantities do not reflect barriers or distances in our dislocation geometry. This computational approach allows for validation against experiment, along with a more detailed understanding of the QENS results.

  14. Many-particle theory of nuclear systems with application to neutron star matter

    NASA Technical Reports Server (NTRS)

    Chakkalakal, D. A.; Yang, C.

    1973-01-01

    The research is reported concerning energy-density relation for the normal state of neutron star matter, and the effects of superfluidity and polarization on neutron star matter. Considering constraints on variation, and the theory of quantum fluids, three methods for calculating the energy-density range are presented. The effects of polarization on neutron star structure, and polarization effects on condensation and superfluid-state energy are discussed.

  15. Supermagnetic Neutron Star Surprises Scientists, Forces Revision of Theories

    NASA Astrophysics Data System (ADS)

    2006-08-01

    Astronomers using radio telescopes from around the world have discovered a spinning neutron star with a superpowerful magnetic field -- called a magnetar -- doing things no magnetar has been seen to do before. The strange behavior has forced them to scrap previous theories about radio pulsars and promises to give new insights on the physics behind these extreme objects. Magnetar Artist's Conception of Magnetar With Radio Beams ALL IMAGES AND ANIMATIONS CREDIT: Bill Saxton, NRAO/AUI/NSF Image and Animation Files Magnetar Graphic (above image, JPEG, 32K) Animation With Sound From GBT Detection of XTE J1810-197 (8.6M) Animation With Sound From GBT Detection of XTE J1810-197 (Full Size, 29M) The magnetar, approximately 10,000 light-years from Earth in the direction of the constellation Sagittarius, is emitting powerful, regularly-timed pulses of radio waves just like radio pulsars, which are neutron stars with far less intense magnetic fields. Usually, magnetars are visible only in X-rays and sometimes very weakly in optical and infrared light. "No one has ever found radio pulses coming from a magnetar before. We thought that magnetars didn't do this," said Fernando Camilo of Columbia University. "This object is going to teach us new things about magnetar physics that we would never have learned otherwise," Camilo added. Neutron stars are the remnants of massive stars that have exploded as supernovae. Containing more mass than the Sun, they are compressed to a diameter of only about 15 miles, making them as dense as atomic nuclei. Ordinary pulsars are neutron stars that emit "lighthouse beams" of radio waves along the poles of their magnetic fields. As the star spins, the beam of radio waves is flung around, and when it passes the direction of Earth, astronomers can detect it with radio telescopes. Scientists have found about 1700 pulsars since their first discovery in 1967. While pulsars have strong magnetic fields, about a dozen neutron stars have been dubbed

  16. a Quasielastic Neutron Scattering Study of Water Diffusion in Frog Muscle.

    NASA Astrophysics Data System (ADS)

    Heidorn, Douglas Bruce

    The microscopic structure and dynamics of cytoplasmic water in the cells of organs and tissues are not well-understood. Much work has been done using various experimental techniques to study the properties of water in living systems, yet there is no generally accepted model describing the interaction of water with cellular constituents. Quasi-elastic neutron scattering (QNS) is a technique capable of a spatial resolution of 1-10 (ANGSTROM) and a frequency resolution of 10('9) to 10('13) sec('-1) which is suitable for the study of the diffusive motion of water in biological systems. A monochromatic beam of 0.95 THz neutrons was used to obtain QNS spectra within an energy window of (+OR -)0.2 THz for momentum transfer values in the ranges of 0.5 (ANGSTROM)('-1) to 1.9 (ANGSTROM)('-1). We have obtained QNS spectra for water in sartorius and gracilis major muscles of green leopard frogs (Rana pipiens pipiens) at 30(DEGREES)C and comparison spectra for a .15 molar solution of KCl at 3(DEGREES)C. The spectra were interpreted with a jump-diffusion model for translational water motion in both systems and a bound-free model for water in the muscle. The measured diffusion parameters of these two systems indicate that the water motion is more restricted in the frog muscle than in the aqueous KCl solution. We estimate the bound fraction of water in muscle to be 15.0 (+OR-) 4.1%. Our results for the bound water fraction in muscle and diffusion coefficients and correlation times of water in muscle and in a .15 m KCl solution agree well with the QNS and NMR results of others.

  17. Polymer Diffusion in Microgels with Upper Critical Solution Temperature as Studied by Incoherent Neutron Scattering

    NASA Astrophysics Data System (ADS)

    Serrano Ruiz, D.; Alonso Cristobal, P.; Laurenti, M.; Rubio Retama, J.; Lopez-Cabarcos, E.

    2014-11-01

    Poly(acrylic-acrylamide) interpenetrated microgels present continuous phase transition from collapsed to swollen state around 42 °C. The upper critical solution temperature (UCST) of this polymeric system has prompted scientists to consider them candidates for its use in biological applications such as smart drug delivery devices since the swelling of the polymer matrix would permit the release of the drug previously entrapped within the microgels. In these systems the increment of the temperature can break inter-chain interactions, mainly hydrogen bonds, which reduce the elastic tension that stabilizes the microgel, favoring the polymer swelling. The microgel molecular dynamics at the UCST can be investigated using Incoherent Elastic (IENS) and Quasielastic Neutron Scattering (IQNS). From the analysis of the IQNS data we obtained that the diffusion coefficient of the polymer segments depends on the composition of the interpenetrated matrix. Thus, at room temperature, microgels with a polymer composition of 50% of each component present a diffusion coefficient 1·10-12 m2/s, while for the microgels formed by only one component the diffusion coefficient is 5.10-10 m2/s. This huge difference in the diffusion coefficient is conspicuously reduced when temperature increases, and we attribute this effect to the breaking of the inter-chain interaction. By means of FTIR-ATR analysis we have identified the groups that are involved in this phenomenon and we associate the breaking of the polyacrylic-polyacrylamide interactions with the swelling of the microgels.

  18. Predicting neutron diffusion eigenvalues with a query-based adaptive neural architecture.

    PubMed

    Lysenko, M G; Wong, H I; Maldonado, G I

    1999-01-01

    A query-based approach for adaptively retraining and restructuring a two-hidden-layer artificial neural network (ANN) has been developed for the speedy prediction of the fundamental mode eigenvalue of the neutron diffusion equation, a standard nuclear reactor core design calculation which normally requires the iterative solution of a large-scale system of nonlinear partial differential equations (PDE's). The approach developed focuses primarily upon the adaptive selection of training and cross-validation data and on artificial neural-network (ANN) architecture adjustments, with the objective of improving the accuracy and generalization properties of ANN-based neutron diffusion eigenvalue predictions. For illustration, the performance of a "bare bones" feedforward multilayer perceptron (MLP) is upgraded through a variety of techniques; namely, nonrandom initial training set selection, adjoint function input weighting, teacher-student membership and equivalence queries for generation of appropriate training data, and a dynamic node architecture (DNA) implementation. The global methodology is flexible in that it can "wrap around" any specific training algorithm selected for the static calculations (i.e., training iterations with a fixed training set and architecture). Finally, the improvements obtained are carefully contrasted against past works reported in the literature.

  19. Analysing neutron star in HESS J1731-347 from thermal emission and cooling theory

    NASA Astrophysics Data System (ADS)

    Ofengeim, D. D.; Kaminker, A. D.; Klochkov, D.; Suleimanov, V.; Yakovlev, D. G.

    2015-12-01

    The central compact object in the supernova remnant HESS J1731-347 appears to be the hottest observed isolated cooling neutron star. The cooling theory of neutron stars enables one to explain observations of this star by assuming the presence of strong proton superfluidity in the stellar core and the existence of the surface heat blanketing envelope which almost fully consists of carbon. The cooling model of this star is elaborated to take proper account of the neutrino emission due to neutron-neutron collisions which is not suppressed by proton superfluidity. Using the results of spectral fits of observed thermal spectra for the distance of 3.2 kpc and the cooling theory for the neutron star of age 27 kyr, new constraints on the stellar mass and radius are obtained which are more stringent than those derived from the spectral fits alone.

  20. Theory of Radiation Transfer in Neutron Star Atmospheres

    NASA Technical Reports Server (NTRS)

    Zavlin, Vyacheslav

    2006-01-01

    The possibility for direct investigation of thermal emission from isolated neutron stars opened about a quarter of century ago with the launch of the first X-ray observatories Einstein and EXOSAT stimulated developing models of the neutron star surface radiation which began at the end of 80's. Confronting observational data with theoretical models of thermal emission allows one to infer the surface temperatures, magnetic fields, chemical composition, and neutron star masses and radii. This information, supplemented with the model equations of state and neutron star cooling models, provides an opportunity to understand the fundamental properties of the superdense matter in the stars' interiors. Almost all available models are based on the assumption that thermal radiation emitted by a neutron star is formed in the superficial star's layers--atmosphere. The neutron star atmospheres are very different from those of usual stars due to the immense gravity and huge magnetic fields. In this presentation we review the current status of the neutron star atmosphere modeling, present most important results, discuss problems and possible future developments.

  1. Parity violation in neutron deuteron scattering in pionless effective field theory

    NASA Astrophysics Data System (ADS)

    Vanasse, Jared J.

    In this dissertation the parity violating neutron deuteron scattering amplitudes are calculated using pionless effective field theory to leading order. The five low energy parity violating constants present in pionless effective field theory are estimated by matching onto the ``best" values for the parameters of the model by Desplanques, Donoghue, and Holstein (DDH). Using these estimates and the calculated amplitudes, predictions for the spin rotation of a neutron through a deuteron target are given with a value of 1.8 × 10-8 rad cm-1. Also given are the longitudinal analyzing power in neutron deuteron scattering with a polarized neutron yielding 2.2 × 10-8, and a polarized deuteron giving 4.0 × 10-8. These observables are discussed in the broader context of hadronic parity violation and as possible future experiments to determine the values of the five low energy parity violating constant present in pionless effective theory.

  2. Diffusion of Innovation Theory: A Bridge for the Research-Practice Gap in Counseling

    ERIC Educational Resources Information Center

    Murray, Christine E.

    2009-01-01

    This article presents a diffusion of innovation theory-based framework for addressing the gap between research and practice in the counseling profession. The author describes the nature of the research-practice gap and presents an overview of diffusion of innovation theory. On the basis of the application of several major postulates of diffusion…

  3. Use of Diffusion of Innovations Theory To Drive a Federal Agency's Program Evaluation.

    ERIC Educational Resources Information Center

    Hubbard, Susan M.; Hayashi, Susan W.

    2003-01-01

    Provides the conceptual framework for the Treatment Improvement Protocols (TIPs) evaluation project, using the diffusion of innovations theory as the theoretical foundation to understand and assess the development of TIPs. Summarizes principles of diffusion theory, and discusses how the model was used to structure the TIPs studies. (SLD)

  4. Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model

    SciTech Connect

    Baudron, Anne-Marie; Riahi, Mohamed Kamel; Salomon, Julien

    2014-12-15

    In this paper we present a time-parallel algorithm for the 3D neutrons calculation of a transient model in a nuclear reactor core. The neutrons calculation consists in numerically solving the time dependent diffusion approximation equation, which is a simplified transport equation. The numerical resolution is done with finite elements method based on a tetrahedral meshing of the computational domain, representing the reactor core, and time discretization is achieved using a θ-scheme. The transient model presents moving control rods during the time of the reaction. Therefore, cross-sections (piecewise constants) are taken into account by interpolations with respect to the velocity of the control rods. The parallelism across the time is achieved by an adequate use of the parareal in time algorithm to the handled problem. This parallel method is a predictor corrector scheme that iteratively combines the use of two kinds of numerical propagators, one coarse and one fine. Our method is made efficient by means of a coarse solver defined with large time step and fixed position control rods model, while the fine propagator is assumed to be a high order numerical approximation of the full model. The parallel implementation of our method provides a good scalability of the algorithm. Numerical results show the efficiency of the parareal method on large light water reactor transient model corresponding to the Langenbuch–Maurer–Werner benchmark.

  5. Computer program VARI-QUIR 3 provides solution of steady-state, multigroup, two-dimensional neutron diffusion equations

    NASA Technical Reports Server (NTRS)

    Collier, G.

    1967-01-01

    Computer program VARI-QUIR 3 provides Gauss-Seidel type of solution with inner and outer iterations for steady-state, multigroup, two-dimensional neutron diffusion equations. The program has no restrictions on any of the input parameters such as the number of groups, regions, or materials.

  6. Theory for Neutron Scattering from Polymers in Tubes: Lozenges, Dangling Ends and Retraction

    NASA Astrophysics Data System (ADS)

    Read, D. J.; McLeish, T. C. B.

    1997-03-01

    We present a consistent explanation for the 'lozenge' shapes in contour plots of the two-dimensional neutron scattering intensity from stretched polymer networks. By explicitly averaging over quenched variables in a tube model, we show that lozenge patterns arise as a result of chain material that is not directly deformed by the stretch. We also present a complete theory for the calculation of neutron scattering functions in the following experimental situation: a melt of partially deuterated block copolymers is stretched and sufficient time allowed for the polymers to retract along their tubes but for no further relaxation processes to occur before quenching below the glass transition temperature. The theory is necessary for the modelling of neutron scattering experiments which test the retraction theory for strongly stretched melts. We expect to be able to comment on the success of the theory for one such experiment.

  7. Determination of the response function for the Portsmouth Gaseous Diffusion Plant criticality accident alarm system neutron detectors

    SciTech Connect

    Tayloe, R.W. Jr.; Brown, A.S.; Dobelbower, M.C.; Woollard, J.E.

    1997-03-01

    Neutron-sensitive radiation detectors are used in the Portsmouth Gaseous Diffusion Plant`s (PORTS) criticality accident alarm system (CAAS). The CAAS is composed of numerous detectors, electronics, and logic units. It uses a telemetry system to sound building evacuation horns and to provide remote alarm status in a central control facility. The ANSI Standard for a CAAS uses a free-in-air dose rate to define the detection criteria for a minimum accident-of-concern. Previously, the free-in-air absorbed dose rate from neutrons was used for determining the areal coverge of criticality detection within PORTS buildings handling fissile materials. However, the free-in-air dose rate does not accurately reflect the response of the neutron detectors in use at PORTS. Because the cost of placing additional CAAS detectors in areas of questionable coverage (based on a free-in-air absorbed dose rate) is high, the actual response function for the CAAS neutron detectors was determined. This report, which is organized into three major sections, discusses how the actual response function for the PORTS CAAS neutron detectors was determined. The CAAS neutron detectors are described in Section 2. The model of the detector system developed to facilitate calculation of the response function is discussed in Section 3. The results of the calculations, including confirmatory measurements with neutron sources, are given in Section 4.

  8. Understanding Diffusion Theory and Fick's Law through Food and Cooking

    ERIC Educational Resources Information Center

    Zhou, Larissa; Nyberg, Kendra; Rowat, Amy C.

    2015-01-01

    Diffusion is critical to physiological processes ranging from gas exchange across alveoli to transport within individual cells. In the classroom, however, it can be challenging to convey the concept of diffusion on the microscopic scale. In this article, we present a series of three exercises that use food and cooking to illustrate diffusion…

  9. Diffuse magnetic neutron scattering in the highly frustrated double perovskite Ba2YRuO6

    DOE PAGES

    Nilsen, Gøran. J.; Thompson, Corey M.; Ehlers, Georg; Marjerrison, Casey A.; Greedan, John E.

    2015-02-23

    Here we investigated diffuse magnetic scattering in the highly frustrated double perovskite Ba2YRuO6 using polarized neutrons. Consistent with previous reports, the material shows two apparent transitions at 47 and 36 K to an eventual type I face-centered-cubic magnetic ground state. The (100) magnetic reflection shows different behavior from the five other observed reflections upon heating from 1.8 K, with the former broadening well beyond the resolution limit near 36 K. Closer examination of the latter group reveals a small, but clear, increase in peak widths between 36 and 47 K, indicating that this regime is dominated by short-range spin correlations.more » Diffuse magnetic scattering persists above 47 K near the position of (100) to at least 200 K, consistent with strong frustration. Reverse Monte Carlo (RMC) modeling of the diffuse scattering from 45 to 200 K finds that the spin-spin correlations between nearest and next-nearest neighbors are antiferromagnetic and ferromagnetic, respectively, at temperatures near the upper ordering temperature, but both become antiferromagnetic and of similar magnitude above 100 K. The significance of this unusual crossover is discussed in light of the super-superexchange interactions between nearest and next-nearest neighbors in this material and the demands of type I order. The dimensionality of the correlations is addressed by reconstructing the scattering in the (hk0) plane using the RMC spin configurations. This indicates that one-dimensional spin correlations dominate at temperatures close to the first transition. In addition, a comparison between mean-field calculations and (hk0) scattering implies that further neighbor couplings play a significant role in the selection of the ground state. Finally, the results and interpretation are compared with those recently published for monoclinic Sr2YRuO6, and similarities and differences are emphasized.« less

  10. Fluid Registration of Diffusion Tensor Images Using Information Theory

    PubMed Central

    Chiang, Ming-Chang; Leow, Alex D.; Klunder, Andrea D.; Dutton, Rebecca A.; Barysheva, Marina; Rose, Stephen E.; McMahon, Katie L.; de Zubicaray, Greig I.; Toga, Arthur W.; Thompson, Paul M.

    2008-01-01

    We apply an information-theoretic cost metric, the symmetrized Kullback-Leibler (sKL) divergence, or J-divergence, to fluid registration of diffusion tensor images. The difference between diffusion tensors is quantified based on the sKL-divergence of their associated probability density functions (PDFs). Three-dimensional DTI data from 34 subjects were fluidly registered to an optimized target image. To allow large image deformations but preserve image topology, we regularized the flow with a large-deformation diffeomorphic mapping based on the kinematics of a Navier-Stokes fluid. A driving force was developed to minimize the J-divergence between the deforming source and target diffusion functions, while reorienting the flowing tensors to preserve fiber topography. In initial experiments, we showed that the sKL-divergence based on full diffusion PDFs is adaptable to higher-order diffusion models, such as high angular resolution diffusion imaging (HARDI). The sKL-divergence was sensitive to subtle differences between two diffusivity profiles, showing promise for nonlinear registration applications and multisubject statistical analysis of HARDI data. PMID:18390342

  11. Slowly rotating neutron stars in scalar-tensor theories with a massive scalar field

    NASA Astrophysics Data System (ADS)

    Yazadjiev, Stoytcho S.; Doneva, Daniela D.; Popchev, Dimitar

    2016-04-01

    In the scalar-tensor theories with a massive scalar field, the coupling constants, and the coupling functions in general, which are observationally allowed, can differ significantly from those in the massless case. This fact naturally implies that the scalar-tensor neutron stars with a massive scalar field can have rather different structure and properties in comparison with their counterparts in the massless case and in general relativity. In the present paper, we study slowly rotating neutron stars in scalar-tensor theories with a massive gravitational scalar. Two examples of scalar-tensor theories are examined—the first example is the massive Brans-Dicke theory and the second one is a massive scalar-tensor theory indistinguishable from general relativity in the weak-field limit. In the latter case, we study the effect of the scalar field mass on the spontaneous scalarization of neutron stars. Our numerical results show that the inclusion of a mass term for the scalar field indeed changes the picture drastically compared to the massless case. It turns out that mass, radius, and moment of inertia for neutron stars in massive scalar-tensor theories can differ drastically from the pure general relativistic solutions if sufficiently large masses of the scalar field are considered.

  12. Thermal neutron capture gamma rays from sulfur isotopes: Experiment and theory

    NASA Astrophysics Data System (ADS)

    Raman, S.; Carlton, R. F.; Wells, J. C.; Jurney, E. T.; Lynn, J. E.

    1985-07-01

    We have carried out a systematic investigation of γ rays after thermal neutron capture by all stable sulfur isotopes (32S, 33S, 34S, and 36S). The measurements were made at the internal target facility at the Los Alamos Omega West Reactor. We detected a larger number of γ rays: ~100 in 33S, ~270 in 34S, ~60 in 35S, and ~15 in 37S. Before developing detailed level schemes, we culled and then consolidated the existing information on energies and Jπ values for levels of these nuclides. Based on the current data, we have constructed detailed decay schemes, which imply that there are significant populations of 26 excited states in 33S, 70 states in 34S, 20 states in 35S, and 7 states in 37S. By checking the intensity balance for these levels and by comparing the total intensity of primary transitions with the total intensity of secondary γ rays feeding the ground state, we have demonstrated the relative completeness of these decay schemes. For strongly populated levels, the branching ratios based on the current measurements are generally better than those available from previous measurements. In all four cases, a few primary electric dipole (E1) transitions account for a large fraction of the capture cross section for that particular nuclide. To understand and explain these transitions, we have recapitulated and further developed the theory of potential capture. Toward this end, we reviewed the theory relating off-resonance neutron capture to the optical-model capture. We studied a range of model-dependent effects (nature and magnitude of imaginary potential, surface diffuseness, etc.) on the potential capture cross section, and we have shown how experimental data may be analyzed using the expression for channel capture suitably modified by a factor that takes into account the model-dependent effects. The calculations of cross sections for most of the primary transitions in the sulfur isotopes are in good agreement with the data. Some discrepancies for weaker

  13. Simultaneous measurement of volume and grain boundary diffusivity separately in Fe thin film with stable nanostructure using polarized neutron reflectivity

    NASA Astrophysics Data System (ADS)

    Chakravarty, Sujay; Shukla, Neeraj; Devishvili, Anton; Vorobiev, Alexei; Amarendra, G.

    2016-08-01

    Polarized neutron reflectivity (PNR) measurements have been used for simultaneous measurement of volume and grain boundary diffusivity separately in stable nanocrystalline Fe thin film at very low homologous temperature (0.2 T m < T < 0.3 T m). PNR measurements were done on Si (substrate)/Fe (150 nm)/[57Fe (3 nm)/natFe (9 nm)]x10 thin film system with periodic 57Fe isotope modulation. PNR from as deposited film shows strong Bragg peaks due to neutron scattering length contrast between 57Fe and natFe layers. Atomic Diffusivity was measured from decrease in the intensity of the Bragg peak due to interdiffusion of 57Fe and natFe layers after annealing the film at three different temperatures 418 K, 483 K and 548 K, respectively for different time intervals starting from 30 min to several hours. The change in the nanostructure of the film after annealing is characterized using grazing incidence x-ray diffraction. No appreciable grain growth within error bar is observed in the film after annealing indicating that the diffusion measurements were done in stable nanostructure. It is observed that the grain boundary diffusivity is two orders of magnitude higher than the volume diffusivity. However, the mechanism of atomic diffusion is similar in both grain and grain boundary.

  14. Analysis and Numerical Solution for Multi-Physics Coupling of Neutron Diffusion and Thermomechanics in Spherical Fast Burst Reactors

    SciTech Connect

    Samet Y. Kadioglu; Dana A. Knoll; Cassiano de Oliveira

    2009-05-01

    Coupling neutronics to thermomechanics is important for the analysis of fast burst reactors, because the criticality and safety study of fast burst reactors heavily depends on the thermomechanical behavior of fuel materials. For instance, the shut down mechanism or the transition between super and sub-critical states are driven by the fuel material expansion or contraction. The material expansion or contraction is due to temperature gradient which results from fission power. In this paper, we introduce a numerical model for coupling of neutron diffusion and thermomechanics in fast burst reactors. We also provide some analysis of the coupled system. We studied material behaviors corresponding to different levels of power pulses.

  15. Field theory and diffusion creep predictions in polycrystalline aggregates

    NASA Astrophysics Data System (ADS)

    Villani, A.; Busso, E. P.; Forest, S.

    2015-07-01

    In polycrystals, stress-driven vacancy diffusion at high homologous temperatures leads to inelastic deformation. In this work, a novel continuum mechanics framework is proposed to describe the strain fields resulting from such a diffusion-driven process in a polycrystalline aggregate where grains and grain boundaries are explicitly considered. The choice of an anisotropic eigenstrain in the grain boundary region provides the driving force for the diffusive creep processes. The corresponding inelastic strain rate is shown to be related to the gradient of the vacancy flux. Dislocation driven deformation is then introduced as an additional mechanism, through standard crystal plasticity constitutive equations. The fully coupled diffusion-mechanical model is implemented into the finite element method and then used to describe the biaxial creep behaviour of FCC polycrystalline aggregates. The corresponding results revealed for the first time that such a coupled diffusion-stress approach, involving the gradient of the vacancy flux, can accurately predict the well-known macroscopic strain rate dependency on stress and grain size in the diffusion creep regime. They also predict strongly heterogeneous viscoplastic strain fields, especially close to grain boundaries triple junctions. Finally, a smooth transition from Herring and Coble to dislocation creep behaviour is predicted and compared to experimental results for copper.

  16. Phenomenological theory of bulk diffusion in metal oxides

    NASA Astrophysics Data System (ADS)

    Chuvil'deev, V. N.; Smirnova, E. S.

    2016-07-01

    Phenomenological description of bulk diffusion in oxide ceramics has been proposed. Variants of vacancy and vacancy-free diffusion models have been considered. In the vacancy models, ion migration is described as a fluctuation with the formation of a "liquid corridor," along which the diffusion ion transport in a "melt" is performed, or, as a fluctuation with the formation of an "empty corridor," in which the ion motion proceeds without activation. The vacancy-free model considers a fluctuation with the formation of a spherical liquid region whose sizes correspond to the first coordination sphere. It has been shown that both the vacancy models work in cubic metal oxides and the vacancy-free model is effective for describing diffusion in oxides having a noncubic structure. Detailed comparison of the models developed has been performed. It has been shown that the values of the activation energies for diffusion of metal and oxygen ions agree with the published data on bulk diffusion in stoichiometric oxide ceramics.

  17. Heat Diffusion in a Solid Sphere and Fourier Theory: An Elementary Practical Example.

    ERIC Educational Resources Information Center

    Unsworth, J.; Duarte, F. J.

    1979-01-01

    Describes a method to determine the thermal diffusivity of a polymer, which is suitable for the undergraduate laboratory. It serves as a practical demonstration of classical Fourier theory. (Author/HM)

  18. Exploration of direct neutron capture with covariant density functional theory inputs

    NASA Astrophysics Data System (ADS)

    Zhang, Shi-Sheng; Peng, Jin-Peng; Smith, M. S.; Arbanas, G.; Kozub, R. L.

    2015-04-01

    Predictions of direct neutron capture are of vital importance for simulations of nucleosynthesis in supernovae, merging neutron stars, and other astrophysical environments. We calculated direct capture cross sections using nuclear structure information obtained from a covariant density functional theory as input for the fresco coupled reaction channels code. We investigated the impact of pairing, spectroscopic factors, and optical potentials on our results to determine a robust method to calculate cross sections of direct neutron capture on exotic nuclei. Our predictions agree reasonably well with experimental cross section data for the closed shell nuclei 16O and 48Ca, and for the exotic nucleus 36S . We then used this approach to calculate the direct neutron capture cross section on the doubly magic unstable nucleus 132Sn which is of interest for the astrophysical r-process.

  19. Influence of Particle Theory Conceptions on Pre-Service Science Teachers' Understanding of Osmosis and Diffusion

    ERIC Educational Resources Information Center

    AlHarbi, Nawaf N. S.; Treagust, David F.; Chandrasegaran, A. L.; Won, Mihye

    2015-01-01

    This study investigated the understanding of diffusion, osmosis and particle theory of matter concepts among 192 pre-service science teachers in Saudi Arabia using a 17-item two-tier multiple-choice diagnostic test. The data analysis showed that the pre-service teachers' understanding of osmosis and diffusion concepts was mildly correlated with…

  20. Diffuse cosmic gamma rays: Present status of theory and observation

    NASA Technical Reports Server (NTRS)

    Stecker, F. W.

    1972-01-01

    Positive diffuse gamma ray flux measurements now exist for energies up to the 100 MeV range. The totality of the observations in the 0.001 to 100 MeV range follow an E to the minus 2nd power trend in the differential isotropic photon spectrum but significant features appear. Possible theoretical interpretations of these features are discussed. New results on the diffuse flux from the galaxy substantiate the pion-decay origin hypothesis for gamma radiation above 100 MeV.

  1. Development of an efficient multigrid method for the NEM form of the multigroup neutron diffusion equation

    NASA Astrophysics Data System (ADS)

    Al-Chalabi, Rifat M. Khalil

    1997-09-01

    Development of an improvement to the computational efficiency of the existing nested iterative solution strategy of the Nodal Exapansion Method (NEM) nodal based neutron diffusion code NESTLE is presented. The improvement in the solution strategy is the result of developing a multilevel acceleration scheme that does not suffer from the numerical stalling associated with a number of iterative solution methods. The acceleration scheme is based on the multigrid method, which is specifically adapted for incorporation into the NEM nonlinear iterative strategy. This scheme optimizes the computational interplay between the spatial discretization and the NEM nonlinear iterative solution process through the use of the multigrid method. The combination of the NEM nodal method, calculation of the homogenized, neutron nodal balance coefficients (i.e. restriction operator), efficient underlying smoothing algorithm (power method of NESTLE), and the finer mesh reconstruction algorithm (i.e. prolongation operator), all operating on a sequence of coarser spatial nodes, constitutes the multilevel acceleration scheme employed in this research. Two implementations of the multigrid method into the NESTLE code were examined; the Imbedded NEM Strategy and the Imbedded CMFD Strategy. The main difference in implementation between the two methods is that in the Imbedded NEM Strategy, the NEM solution is required at every MG level. Numerical tests have shown that the Imbedded NEM Strategy suffers from divergence at coarse- grid levels, hence all the results for the different benchmarks presented here were obtained using the Imbedded CMFD Strategy. The novelties in the developed MG method are as follows: the formulation of the restriction and prolongation operators, and the selection of the relaxation method. The restriction operator utilizes a variation of the reactor physics, consistent homogenization technique. The prolongation operator is based upon a variant of the pin power

  2. Diffusion of isobutane in ZSM-5 zeolite: A comparison of quasi-elastic neutron scattering and supported membrane results

    SciTech Connect

    Millot, B.; Methivier, A.; Jobic, H.; Moueddeb, H.; Bee, M.

    1999-02-18

    The use of ZSM-5 zeolites is widely recommended for adsorption separation processes mainly in the field of refining and for gas processing. One of the most promising applications of ZSM-5 zeolites is the kinetic separation of alkane isomers for upgrading the octane number of gasoline. Isobutane diffusivities in ZSM-5 zeolite have been measured by quasi-elastic neutron scattering (QENS) and supported membrane techniques. This is the first diffusivity measurement of a branched alkane inside a zeolite of MFI type using a microscopic method. The self-diffusion coefficient derived from QENS is 3 {times} 10{sup {minus}12} m{sup 2}/s at 500 K. The diffusivity obtained with the supported membrane is 1 order of magnitude larger. In view of the large differences usually reported in the literature between microscopic and macroscopic techniques, the comparison between QENS and supported membrane data is quite satisfactory. The activation energy for diffusion determined from QENS is 27 kJ/mol. Because of the variation of loading due to temperature changes, an apparent activation energy is obtained with the supported membrane; it is 34 kJ/mol. In this zeolite, the diffusion of branched hydrocarbons is much slower than that of linear alkanes; the diffusion coefficient of isobutane is found to be 3 orders of magnitude lower than that of n-butane by QENS.

  3. Atomic parity nonconservation, neutron radii, and effective field theories of nuclei

    SciTech Connect

    Sil, Tapas; Centelles, M.; Vinas, X.; Piekarewicz, J.

    2005-04-01

    Accurately calibrated effective field theories are used to compute atomic parity nonconserving (APNC) observables. Although accurately calibrated, these effective field theories predict a large spread in the neutron skin of heavy nuclei. Whereas the neutron skin is strongly correlated to numerous physical observables, in this contribution we focus on its impact on new physics through APNC observables. The addition of an isoscalar-isovector coupling constant to the effective Lagrangian generates a wide range of values for the neutron skin of heavy nuclei without compromising the success of the model in reproducing well-constrained nuclear observables. Earlier studies have suggested that the use of isotopic ratios of APNC observables may eliminate their sensitivity to atomic structure. This leaves nuclear structure uncertainties as the main impediment for identifying physics beyond the standard model. We establish that uncertainties in the neutron skin of heavy nuclei are at present too large to measure isotopic ratios to better than the 0.1% accuracy required to test the standard model. However, we argue that such uncertainties will be significantly reduced by the upcoming measurement of the neutron radius in {sup 208}Pb at the Jefferson Laboratory.

  4. Semiclassical theory of energy diffusive escape in a Duffing oscillator.

    PubMed

    Verso, Alvise; Ankerhold, Joachim

    2010-11-01

    Motivated by recent experimental progress to readout quantum bits implemented in superconducting circuits via the phenomenon of dynamical bifurcation, transitions between steady orbits in a driven anharmonic oscillator, the Duffing oscillator, are analyzed. In the regime of weak dissipation a consistent diffusion equation in the semiclassical limit is derived to capture the intimate relation between finite tunneling and reflection and bath induced quantum fluctuations. From the corresponding steady-state distribution an analytical expression for the switching probability is obtained. It is shown that a reduction of the transition rate due to finite reflection at the phase-space barrier is overcompensated by an increase due to environmental quantum fluctuations that are specific for diffusion processes over dynamical barriers. The scaling behavior of the rate is discussed and it is revealed that close to the bifurcation threshold the escape dynamics enters an overdamped domain such that the quantum-mechanical energy scale associated with friction even exceeds the thermal energy scale. PMID:21230446

  5. Applications of a general random-walk theory for confined diffusion

    NASA Astrophysics Data System (ADS)

    Calvo-Muñoz, Elisa M.; Selvan, Myvizhi Esai; Xiong, Ruichang; Ojha, Madhusudan; Keffer, David J.; Nicholson, Donald M.; Egami, Takeshi

    2011-01-01

    A general random walk theory for diffusion in the presence of nanoscale confinement is developed and applied. The random-walk theory contains two parameters describing confinement: a cage size and a cage-to-cage hopping probability. The theory captures the correct nonlinear dependence of the mean square displacement (MSD) on observation time for intermediate times. Because of its simplicity, the theory also requires modest computational requirements and is thus able to simulate systems with very low diffusivities for sufficiently long time to reach the infinite-time-limit regime where the Einstein relation can be used to extract the self-diffusivity. The theory is applied to three practical cases in which the degree of order in confinement varies. The three systems include diffusion of (i) polyatomic molecules in metal organic frameworks, (ii) water in proton exchange membranes, and (iii) liquid and glassy iron. For all three cases, the comparison between theory and the results of molecular dynamics (MD) simulations indicates that the theory can describe the observed diffusion behavior with a small fraction of the computational expense. The confined-random-walk theory fit to the MSDs of very short MD simulations is capable of accurately reproducing the MSDs of much longer MD simulations. Furthermore, the values of the parameter for cage size correspond to the physical dimensions of the systems and the cage-to-cage hopping probability corresponds to the activation barrier for diffusion, indicating that the two parameters in the theory are not simply fitted values but correspond to real properties of the physical system.

  6. Knowledge-for-Action Theories in Evaluation: Knowledge Utilization, Diffusion, Implementation, Transfer, and Translation

    ERIC Educational Resources Information Center

    Ottoson, Judith M.

    2009-01-01

    Five knowledge-for-action theories are summarized and compared in this chapter for their evaluation implications: knowledge utilization, diffusion, implementation, transfer, and translation. Usually dispersed across multiple fields and disciplines, these theories are gathered here for a common focus on knowledge and change. Knowledge in some form…

  7. Programming reaction-diffusion: From theory to micro- and nanofabrication

    NASA Astrophysics Data System (ADS)

    Campbell, Christopher James

    Nature often uses reaction-diffusion(RD) as a means of making structures and materials of unique properties or morphologies on scales from macro- (e.g., stripes in zebras, tigers, and seashells, and formations in trees, agates, and rocks) to microscopic (e.g., cellular growth, chemotaxis and biological waves). However, reaction-diffusion phenomena have not yet been applied in modern materials science and micro-/nanotechnology. In this context, RD systems are particularly promising for micropatterning of surfaces. Unlike conventional micropatterning techniques that modify the properties of the substrate only at the locations to which a modifying agent - be it a chemical or radiation - is delivered, RD can, in principle, evolve chemicals delivered onto a surface into structures of characteristic dimensions significantly smaller than those of the original pattern. In this Dissertation, I describe how reaction-diffusions are programmed and executed via a new micropatterning technique called Wet Stamping to (i) transform microscopic patterns of chemicals delivered onto thin films of dry gelatin into regular arrays of lines of submicrometer thicknesses, multicolor arrays on the micrometer scale, or three-dimensional microstructured surfaces; (ii) modify the properties of a surface by precisely delivering an oxidant to change hydrophilicity or deliver silanes or thiols to build a self-assembling monolayer; or (iii) cut into a metal, glass, or crystal surface by delivery of an etchant to form binary and curvilinear three-dimensional microstructures. This technique has allowed for a fundamental understanding and control of reaction-diffusion processes down to the nanoscale. In addition, this platform has allowed for the development of a range of applications on the micro- and nanoscale, including microlenses, microfluidic devices, and templates for studying cell motility and cancer metastasis.

  8. Nonlinear diffusion in two-dimensional ordered porous media based on a free volume theory

    NASA Astrophysics Data System (ADS)

    Godec, A.; Gaberscek, M.; Jamnik, J.; Merzel, F.

    2009-12-01

    A continuum nonlinear diffusion model is developed to describe molecular transport in ordered porous media. An existing generic van der Waals equation of state based free volume theory of binary diffusion coefficients is modified and introduced into the two-dimensional diffusion equation. The resulting diffusion equation is solved numerically with the alternating-direction fully implicit method under Neumann boundary conditions. Two types of pore structure symmetries are considered, hexagonal and cubic. The former is modeled as parallel channels while in case of the latter equal-sized channels are placed perpendicularly thus creating an interconnected network. First, general features of transport in both systems are explored, followed by the analysis of the impact of molecular properties on diffusion inside and out of the porous matrix. The influence of pore size on the diffusion-controlled release kinetics is assessed and the findings used to comment recent experimental studies of drug release profiles from ordered mesoporous silicates.

  9. Coupled elastic-plastic thermomechanically assisted diffusion: Theory development, numerical implementation, and application

    SciTech Connect

    Weinacht, D.J.

    1995-12-01

    A fully coupled thermomechanical diffusion theory describing the thermal and mechanically assisted mass transport of dilute mobile constituents in an elastic solid is extended to include the effects of elastic-plastic deformation. Using the principles of modern continuum mechanics and classical plasticity theory, balance laws and constitutive equations are derived for a continuum composed of an immobile, but deformable, parent material and a dilute mobile constituent. The resulting equations are cast into a finite element formulation for incorporation into a finite element code. This code serves as a tool for modeling thermomechanically assisted phenomena in elastic-plastic solids. A number of simplified problems for which analytical solutions can be derived are used to benchmark the theory and finite element code. Potential uses of the numerical implementation of the theory are demonstrated using two problems. Specifically, tritium diffusion in a titanium alloy and hydrogen diffusion in a multiphase stainless steel are examined.

  10. UN Method For The Critical Slab Problem In One-Speed Neutron Transport Theory

    NASA Astrophysics Data System (ADS)

    Öztürk, Hakan; Güngör, Süleyman

    2008-11-01

    The Chebyshev polynomial approximation (UN method) is used to solve the critical slab problem in one-speed neutron transport theory using Marshak boundary condition. The isotropic scattering kernel with the combination of forward and backward scattering is chosen for the neutrons in a uniform finite slab. Numerical results obtained by the UN method are presented in the tables together with the results obtained by the well-known PN method for comparison. It is shown that the method converges rapidly with its easily executable equations.

  11. Constraints on Neutron Star Radii Based on Chiral Effective Field Theory Interactions

    SciTech Connect

    Hebeler, K.; Lattimer, J. M.; Pethick, C. J.; Schwenk, A.

    2010-10-15

    We show that microscopic calculations based on chiral effective field theory interactions constrain the properties of neutron-rich matter below nuclear densities to a much higher degree than is reflected in commonly used equations of state. Combined with observed neutron star masses, our results lead to a radius R=9.7-13.9 km for a 1.4M{sub {center_dot}} star, where the theoretical range is due, in about equal amounts, to uncertainties in many-body forces and to the extrapolation to high densities.

  12. Two-dimensional finite element neutron diffusion analysis using hierarchic shape functions

    SciTech Connect

    Carpenter, D.C.

    1997-04-01

    Recent advances have been made in the use of p-type finite element method (FEM) for structural and fluid dynamics problems that hold promise for reactor physics problems. These advances include using hierarchic shape functions, element-by-element iterative solvers and more powerful mapping techniques. Use of the hierarchic shape functions allows greater flexibility and efficiency in implementing energy-dependent flux expansions and incorporating localized refinement of the solution space. The irregular matrices generated by the p-type FEM can be solved efficiently using element-by-element conjugate gradient iterative solvers. These solvers do not require storage of either the global or local stiffness matrices and can be highly vectorized. Mapping techniques based on blending function interpolation allow exact representation of curved boundaries using coarse element grids. These features were implemented in a developmental two-dimensional neutron diffusion program based on the use of hierarchic shape functions (FEM2DH). Several aspects in the effective use of p-type analysis were explored. Two choices of elemental preconditioning were examined--the proper selection of the polynomial shape functions and the proper number of functions to use. Of the five shape function polynomials tested, the integral Legendre functions were the most effective. The serendipity set of functions is preferable over the full tensor product set. Two global preconditioners were also examined--simple diagonal and incomplete Cholesky. The full effectiveness of the finite element methodology was demonstrated on a two-region, two-group cylindrical problem but solved in the x-y coordinate space, using a non-structured element grid. The exact, analytic eigenvalue solution was achieved with FEM2DH using various combinations of element grids and flux expansions.

  13. Vectorized and multitasked solution of the few-group neutron diffusion equations

    SciTech Connect

    Zee, S.K.; Turinsky, P.J.; Shayer, Z.

    1989-03-01

    A numerical algorithm with parallelism was used to solve the two-group, multidimensional neutron diffusion equations on computers characterized by shared memory, vector pipeline, and multi-CPU architecture features. Specifically, solutions were obtained on the Cray X/MP-48, the IBM-3090 with vector facilities, and the FPS-164. The material-centered mesh finite difference method approximation and outer-inner iteration method were employed. Parallelism was introduced in the inner iterations using the cyclic line successive overrelaxation iterative method and solving in parallel across lines. The outer iterations were completed using the Chebyshev semi-iterative method that allows parallelism to be introduced in both space and energy groups. For the three-dimensional model, power, soluble boron, and transient fission product feedbacks were included. Concentrating on the pressurized water reactor (PWR), the thermal-hydraulic calculation of moderator density assumed single-phase flow and a closed flow channel, allowing parallelism to be introduced in the solution across the radial plane. Using a pinwise detail, quarter-core model of a typical PWR in cycle 1, for the two-dimensional model without feedback the measured million floating point operations per second (MFLOPS)/vector speedups were 83/11.7. 18/2.2, and 2.4/5.6 on the Cray, IBM, and FPS without multitasking, respectively. Lower performance was observed with a coarser mesh, i.e., shorter vector length, due to vector pipeline start-up. For an 18 x 18 x 30 (x-y-z) three-dimensional model with feedback of the same core, MFLOPS/vector speedups of --61/6.7 and an execution time of 0.8 CPU seconds on the Cray without multitasking were measured. Finally, using two CPUs and the vector pipelines of the Cray, a multitasking efficiency of 81% was noted for the three-dimensional model.

  14. Neutron Reflectivity Characterization of the Photoacid Reaction-Diffusion Latent and Developed Images of Molecular Resists for Extreme Ultraviolet Lithography

    SciTech Connect

    Prabhu, Vivek M.; Kang, Shuhui; Sha, Jing; Bonnesen, Peter V; Satija, Sushil K.; Wu, Wen-li; Ober, Christoper K.

    2012-01-01

    Lithographic feature size requirements have approached a few radius of gyration of photoresist polymers used in thin-film patterning. Furthermore, the feature dimensions are commensurate with the photoacid diffusion length that defines the underlying latent image. Smaller imaging building blocks may enable reduced feature sizes; however, resolution limits are also dependent upon the spatial extent of the photoacid-catalyzed reaction diffusion front and subsequent dissolution mechanism. The reaction-diffusion front was characterized by neutron reflectivity for ccc stereoisomer-purified, deuterium-labeled tert-butoxycarbonyloxy calix[4]resorcinarene molecular resists. The spatial extent of the reaction front exceeds the size of the molecular resist with an effective diffusion constant of (0.13 0.06) nm2/s for reaction times longer than 60 s, with the maximum at shorter times. Comparison to a mean-field reaction-diffusion model shows that a photoacid trapping process provides bounds to the spatial and extent of reaction via a reaction-limited mechanism whereas the ratio of the reaction rate to trapping rate constants recovers the effective diffusion peak. Under the ideal step-exposure conditions, surface roughness was observed after either positive- or negative-tone development. However, negative-tone development follows a surface restructuring mechanism rather than etch-like dissolution in positive-tone development.

  15. Diffusive properties of water in Artemia cysts as determined from quasi-elastic neutron scattering spectra. [Artemia shrimp

    SciTech Connect

    Trantham, E.C.; Rorschach, H.E.; Clegg, J.S.; Hazlewood, C.F.; Nicklow, R.M.; Wakabayashi, N.

    1984-05-01

    Results have been obtained on the quasi-elastic spectra of neutrons scattered from pure water, 20% agarose gel (hydration four grams H/sub 2/O per gram of dry solid) and cysts of the brine shrimp Artemia for hydrations between 0.10 and 1.2 grams H/sub 2/O per gram of dry solids. The spectra were interpreted using a two-component model that included contributions from the covalently bonded protons and the hydration water, and a mobile water fraction. The mobile fraction was described by a jump-diffusion correlation function for the translation motion and a simple diffusive orientational correlation function. The results for the line widths ..gamma..(Q/sup 2/) for pure water were in good agreement with previous measurements. The agarose results were consistent with NMR measurements that show a slightly reduced translational diffusion for the mobile water fraction. The Artemia results show that the translational diffusion coefficient of the mobile water fraction was greatly reduced from that of pure water. The line width was determined mainly by the rotational motion, which was also substantially reduced from the pure water value as determined from dielectric relaxation studies. The translational and rotational diffusion parameters were consistent with the NMR measurements of diffusion and relaxation. Values for the hydration fraction and the mean square thermal displacement as determined from the Q-dependence of line areas were also obtained.

  16. Keplerian Frequency of Uniformly Rotating Neutron Stars in Relativistic Mean Field Theory

    NASA Astrophysics Data System (ADS)

    Zhang, N. B.; Qi, B.; Wang, S. Y.; Ge, S. L.; Sun, B. Y.

    2013-11-01

    Adopting the equation of states (EOSs) from the relativistic mean field (RMF) theory, the relationships among the keplerian frequency fK, gravitational mass M and radius R for the rapidly rotating neutron stars with and without hyperons are presented and analyzed. For various RMF EOSs, the empirical formula fK(M) = 1.08 (M/M⊙)1/2(R_S/10 km)-3/2 kHz, proposed by P. Haensel et al. [Astron. Astrophys.502 (2009) 605], is found to be an approximation with the error at most 13% and such approximation is worse for the neutron stars with hyperons. It indicates that the errors should be considered when the empirical formula is used to discuss the properties of neutron stars.

  17. Binary Mutual Diffusion Coefficients of Polymer/Solvent Systems Using Compressible Regular Solutions Theory and Free Volume Theory

    NASA Astrophysics Data System (ADS)

    Farajnezhad, Arsalan; Asef Afshar, Orang; Asgarpour Khansary, Milad; Shirazian, Saeed

    2016-07-01

    The free volume theory has found practical application for prediction of diffusional behavior of polymer/solvent systems. In this paper, reviewing free volume theory, binary mutual diffusion coefficients in some polymer/solvent systems have been systematically presented through chemical thermodynamic modeling in terms of both activity coefficients and fugacity coefficients models. Here chemical thermodynamic model of compressible regular solution (CRS) was used for evaluation of diffusion coefficients calculations as the pure component properties would be required only. Four binary polymeric solutions of cyclohexane/polyisobutylene, n-pentane/polyisobutylene, toluene/polyisobutylene and chloroform/polyisobutylene were considered. The agreement between calculated data and the experimentally collected data was desirable and no considerable error propagation in approximating mutual diffusion coefficients has been observed.

  18. Some recent advances in theory and simulation of fractional diffusion processes

    NASA Astrophysics Data System (ADS)

    Gorenflo, Rudolf; Mainardi, Francesco

    2009-07-01

    To offer an insight into the rapidly developing theory of fractional diffusion processes, we describe in some detail three topics of current interest: (i) the well-scaled passage to the limit from continuous time random walk under power law assumptions to space-time fractional diffusion, (ii) the asymptotic universality of the Mittag-Leffler waiting time law in time-fractional processes, (iii) our method of parametric subordination for generating particle trajectories.

  19. Nonlinear Theory of Anomalous Diffusion and Application to Fluorescence Correlation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Boon, Jean Pierre; Lutsko, James F.

    2015-12-01

    The nonlinear theory of anomalous diffusion is based on particle interactions giving an explicit microscopic description of diffusive processes leading to sub-, normal, or super-diffusion as a result of competitive effects between attractive and repulsive interactions. We present the explicit analytical solution to the nonlinear diffusion equation which we then use to compute the correlation function which is experimentally measured by correlation spectroscopy. The theoretical results are applicable in particular to the analysis of fluorescence correlation spectroscopy of marked molecules in biological systems. More specifically we consider the cases of fluorescently labeled lipids in the plasma membrane and of fluorescent apoferritin (a spherically shaped oligomer) in a crowded dextran solution and we find that the nonlinear correlation spectra reproduce very well the experimental data indicating sub-diffusive molecular motion.

  20. Hyperons in neutron stars within an Eddington-inspired Born-Infeld theory of gravity

    NASA Astrophysics Data System (ADS)

    Qauli, A. I.; Iqbal, M.; Sulaksono, A.; Ramadhan, H. S.

    2016-05-01

    We investigate the mass-radius relation of the neutron star (NS) with hyperons inside its core by using the Eddington-inspired Born-Infeld (EiBI) theory of gravity. The equation of state of the star is calculated by using the relativistic mean field model under which the standard SU(6) prescription and hyperon potential depths are used to determine the hyperon coupling constants. We found that, for 4 ×106 m2≲κ ≲6 ×106 m2 , the corresponding NS mass and radius predicted by the EiBI theory of gravity is compatible with observational constraints of maximum NS mass and radius. The corresponding κ value is also compatible with the κ range predicted by the astrophysical-cosmological constraints. We also found that the parameter κ could control the size and the compactness of a neutron star.

  1. Surface self-diffusion constants at low temperature: Monte Carlo transition state theory with importance sampling

    SciTech Connect

    Voter, A.F.; Doll, J.D.

    1984-06-01

    We present an importance-sampling method which, when combined with a Monte Carlo procedure for evaluating transition state theory rates, allows computation of classically exact, transition state theory surface diffusion constants at arbitrarily low temperature. In the importance-sampling method, a weighting factor is applied to the transition state region, and Metropolis steps are chosen from a special distribution which facilitates transfer between the two important regions of configuration space: the binding site minimum and the saddle point between two binding sites. We apply the method to the diffusion of Rh on Rh(111) and Rh on Rh(100), in the temperature range of existing field ion microscope experiments.

  2. Shear Reduction of Cross-Magnetic Field Diffusion: Theory and Simulations.

    NASA Astrophysics Data System (ADS)

    Dubin, Dan

    2001-10-01

    In seminal work, Taylor and McNamara(J.B. Taylor and B. McNamara, Phys. Fluids 14), 1492 (1971). showed that, for a 2-dimensional plasma consisting of charged rods undergoing 2D E × B drift dynamics, collisional diffusion has Bohm scaling: D ~ 1/B. The diffusion is caused by large-scale ``Dawson-Okuda'' vortices.(J.M. Dawson et al., Phys. Rev. Lett. 27), 491 (1971). We revisit the Taylor-McNamara theory, adding a mean E × B shear to the plasma. The applied shear destroys the Dawson-Okuda vortices, reducing the transport. Theory based on both Boltzmann and quasilinear calculations shows a marked reduction in diffusion with increasing applied shear. This theory applies to both neutral or non-neutral 2D plasmas, and provides the first rigorous analysis of shear reduction of transport in a paradigmatic system. Simulations verify the theory, provided that the shear is negative. For a cylindrical plasma this corresponds to monotonically-decreasing rotation frequency versus radius. Preliminary experiments on pure ion plasmas are also in rough agreement with the theory.(F. Anderegg et al.), see poster this session. For positive shear, diffusion is reduced even further due to trapping effects.

  3. A Computer Code System for the Calculation of Reactivity and Kinetic Parameters by One-Dimensional Neutron Transport Perturbation Theory.

    1985-02-01

    Version 00 TP1 is a transport theory code, developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry.

  4. A Computer Program for the Calculation of Reactivity and Kinetic Parameters by Two-Dimensional Neutron Transport Perturbation Theory.

    1985-02-01

    Version 00 TP2 is a transport theory code, developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for two-dimensional geometry.

  5. On the widespread use of the Corrsin hypothesis in diffusion theories

    SciTech Connect

    Tautz, R. C.; Shalchi, A.

    2010-12-15

    In the past four decades, several nonlinear theories have been developed to describe (i) the motion of charged test particles through a turbulent magnetized plasma and (ii) the random walk of magnetic field lines. In many such theories, the so-called Corrsin independence hypothesis has been applied to enforce analytical tractability. In this note, it is shown that the Corrsin hypothesis is part of most nonlinear diffusion theories. In some cases, the Corrsin approximation is somewhat hidden, while in other cases a different name is used for the same approach. It is shown that even the researchers who criticized the application of this hypothesis have used it in their nonlinear diffusion theories. It is hoped that the present article will eliminate the recently caused confusion about the applicability and validity of the Corrsin hypothesis.

  6. Neutron Diffusion in a Space Lattice of Fissionable and Absorbing Materials

    DOE R&D Accomplishments Database

    Feynman, R. P.; Welton, T. A.

    1946-08-27

    Methods are developed for estimating the effect on a critical assembly of fabricating it as a lattice rather than in the more simply interpreted homogeneous manner. An idealized case is discussed supposing an infinite medium in which fission, elastic scattering and absorption can occur, neutrons of only one velocity present, and the neutron m.f.p. independent of position and equal to unity with the unit of length used.

  7. Two-dimensional finite element multigroup diffusion theory for neutral atom transport in plasmas

    SciTech Connect

    Hasan, M.Z.; Conn, R.W.

    1986-02-01

    Solution of the energy dependent diffusion equation in two dimensions is formulated by multigroup approximation of the energy variable and general triangular mesh, finite element discretization of the spatial domain. Finite element formulation is done by Galerkin's method. Based on this formulation, a two-dimensional multigroup finite element diffusion theory code, FENAT, has been developed for the transport of neutral atoms in fusion plasmas. FENAT solves the multigroup diffusion equation in X-Y cartesian and R-Z cylindrical/toroidal geometries. Use of the finite element method allows solution of problems in which the plasma cross-section has an arbitrary shape. The accuracy of FENAT has been verified by comparing results to those obtained using the two-dimensional discrete ordinate transport theory code, DOT-4.3. Results of application of FENAT to the transport of limiter-originated neutral atoms in a tokamak fusion machine are presented.

  8. Mothers "Google It Up:" Extending Communication Channel Behavior in Diffusion of Innovations Theory.

    PubMed

    Sundstrom, Beth

    2016-01-01

    This study employed qualitative methods, conducting 44 in-depth interviews with biological mothers of newborns to understand women's perceptions and use of new media, mass media, and interpersonal communication channels in relation to health issues. Findings contribute to theoretical and practical understandings of the role of communication channels in diffusion of innovations theory. In particular, this study provides a foundation for the use of qualitative research to advance applications of diffusion of innovations theory. Results suggest that participants resisted mass media portrayals of women's health. When faced with a health question, participants uniformly started with the Internet to "Google it up." Findings suggest new media comprise a new communication channel with new rules, serving the functions of both personal and impersonal influence. In particular, pregnancy and the postpartum period emerged as a time when campaign planners can access women in new ways online. As a result, campaign planners could benefit from introducing new ideas online and capitalizing on the strength of weak ties favored in new media. Results expand the innovativeness/needs paradox in diffusion of innovations theory by elaborating on the role of new media to reach underserved populations. These findings provide an opportunity to better understand patient information seeking through the lens of diffusion of innovations theory.

  9. An Application of the Diffusion of Innovations Theory to the Investigation of Blended Language Learning

    ERIC Educational Resources Information Center

    Grgurovic, Maja

    2014-01-01

    This study investigates technology-enhanced blended learning in an English as a Second Language (ESL) program from the theoretical perspective of Diffusion of Innovations theory. The study first established that the use of a learning management system (LMS) in two ESL classes represented an educational innovation. Next, the innovation attributes…

  10. A coupled deformation-diffusion theory for fluid-saturated porous solids

    NASA Astrophysics Data System (ADS)

    Henann, David; Kamrin, Ken; Anand, Lallit

    2012-02-01

    Fluid-saturated porous materials are important in several familiar applications, such as the response of soils in geomechanics, food processing, pharmaceuticals, and the biomechanics of living bone tissue. An appropriate constitutive theory describing the coupling of the mechanical behavior of the porous solid with the transport of the fluid is a crucial ingredient towards understanding the material behavior in these varied applications. In this work, we formulate and numerically implement in a finite-element framework a large-deformation theory for coupled deformation-diffusion in isotropic, fluid-saturated porous solids. The theory synthesizes the classical Biot theory of linear poroelasticity and the more-recent Coussy theory of poroplasticity in a large deformation framework. In this talk, we highlight several salient features of our theory and discuss representative examples of the application of our numerical simulation capability to problems of consolidation as well as deformation localization in granular materials.

  11. Normal and Anomalous Diffusion: An Analytical Study Based on Quantum Collision Dynamics and Boltzmann Transport Theory.

    PubMed

    Mahakrishnan, Sathiya; Chakraborty, Subrata; Vijay, Amrendra

    2016-09-15

    Diffusion, an emergent nonequilibrium transport phenomenon, is a nontrivial manifestation of the correlation between the microscopic dynamics of individual molecules and their statistical behavior observed in experiments. We present a thorough investigation of this viewpoint using the mathematical tools of quantum scattering, within the framework of Boltzmann transport theory. In particular, we ask: (a) How and when does a normal diffusive transport become anomalous? (b) What physical attribute of the system is conceptually useful to faithfully rationalize large variations in the coefficient of normal diffusion, observed particularly within the dynamical environment of biological cells? To characterize the diffusive transport, we introduce, analogous to continuous phase transitions, the curvature of the mean square displacement as an order parameter and use the notion of quantum scattering length, which measures the effective interactions between the diffusing molecules and the surrounding, to define a tuning variable, η. We show that the curvature signature conveniently differentiates the normal diffusion regime from the superdiffusion and subdiffusion regimes and the critical point, η = ηc, unambiguously determines the coefficient of normal diffusion. To solve the Boltzmann equation analytically, we use a quantum mechanical expression for the scattering amplitude in the Boltzmann collision term and obtain a general expression for the effective linear collision operator, useful for a variety of transport studies. We also demonstrate that the scattering length is a useful dynamical characteristic to rationalize experimental observations on diffusive transport in complex systems. We assess the numerical accuracy of the present work with representative experimental results on diffusion processes in biological systems. Furthermore, we advance the idea of temperature-dependent effective voltage (of the order of 1 μV or less in a biological environment, for example

  12. Normal and Anomalous Diffusion: An Analytical Study Based on Quantum Collision Dynamics and Boltzmann Transport Theory.

    PubMed

    Mahakrishnan, Sathiya; Chakraborty, Subrata; Vijay, Amrendra

    2016-09-15

    Diffusion, an emergent nonequilibrium transport phenomenon, is a nontrivial manifestation of the correlation between the microscopic dynamics of individual molecules and their statistical behavior observed in experiments. We present a thorough investigation of this viewpoint using the mathematical tools of quantum scattering, within the framework of Boltzmann transport theory. In particular, we ask: (a) How and when does a normal diffusive transport become anomalous? (b) What physical attribute of the system is conceptually useful to faithfully rationalize large variations in the coefficient of normal diffusion, observed particularly within the dynamical environment of biological cells? To characterize the diffusive transport, we introduce, analogous to continuous phase transitions, the curvature of the mean square displacement as an order parameter and use the notion of quantum scattering length, which measures the effective interactions between the diffusing molecules and the surrounding, to define a tuning variable, η. We show that the curvature signature conveniently differentiates the normal diffusion regime from the superdiffusion and subdiffusion regimes and the critical point, η = ηc, unambiguously determines the coefficient of normal diffusion. To solve the Boltzmann equation analytically, we use a quantum mechanical expression for the scattering amplitude in the Boltzmann collision term and obtain a general expression for the effective linear collision operator, useful for a variety of transport studies. We also demonstrate that the scattering length is a useful dynamical characteristic to rationalize experimental observations on diffusive transport in complex systems. We assess the numerical accuracy of the present work with representative experimental results on diffusion processes in biological systems. Furthermore, we advance the idea of temperature-dependent effective voltage (of the order of 1 μV or less in a biological environment, for example

  13. Passive Rocket Diffuser Theory: A Re-Examination of Minimum Second Throat Size

    NASA Technical Reports Server (NTRS)

    Jones, Daniel R.

    2016-01-01

    Second-throat diffusers serve to isolate rocket engines from the effects of ambient back pressure during testing without using active control systems. Among the most critical design parameters is the relative area of the diffuser throat to that of the nozzle throat. A smaller second throat is generally desirable because it decreases the stagnation-to-ambient pressure ratio the diffuser requires for nominal operation. There is a limit, however. Below a certain size, the second throat can cause pressure buildup within the diffuser and prevent it from reaching the start condition that protects the nozzle from side-load damage. This paper presents a method for improved estimation of the minimum second throat area which enables diffuser start. The new 3-zone model uses traditional quasi-one-dimensional compressible flow theory to approximate the structure of two distinct diffuser flow fields observed in Computational Fluid Dynamics (CFD) simulations and combines them to provide a less-conservative estimate of the second throat size limit. It is unique among second throat sizing methods in that it accounts for all major conical nozzle and second throat diffuser design parameters within its limits of application. The performance of the 3-zone method is compared to the historical normal shock and force balance methods, and verified against a large number of CFD simulations at specific heat ratios of 1.4 and 1.25. Validation is left as future work, and the model is currently intended to function only as a first-order design tool.

  14. Density functional theory calculations of stability and diffusion mechanisms of impurity atoms in Ge crystals

    NASA Astrophysics Data System (ADS)

    Maeta, Takahiro; Sueoka, Koji

    2014-08-01

    Ge-based substrates are being developed for applications in advanced nano-electronic devices because of their higher intrinsic carrier mobility than Si. The stability and diffusion mechanism of impurity atoms in Ge are not well known in contrast to those of Si. Systematic studies of the stable sites of 2nd to 6th row element impurity atoms in Ge crystal were undertaken with density functional theory (DFT) and compared with those in Si crystal. It was found that most of the impurity atoms in Ge were stable at substitutional sites, while transition metals in Si were stable at interstitial sites and the other impurity atoms in Si were stable at substitutional sites. Furthermore, DFT calculations were carried out to clarify the mechanism responsible for the diffusion of impurity atoms in Ge crystals. The diffusion mechanism for 3d transition metals in Ge was found to be an interstitial-substitutional diffusion mechanism, while in Si this was an interstitial diffusion mechanism. The diffusion barriers in the proposed diffusion mechanisms in Ge and Si were quantitatively verified by comparing them to the experimental values in the literature.

  15. Density functional theory calculations of stability and diffusion mechanisms of impurity atoms in Ge crystals

    SciTech Connect

    Maeta, Takahiro; Sueoka, Koji

    2014-08-21

    Ge-based substrates are being developed for applications in advanced nano-electronic devices because of their higher intrinsic carrier mobility than Si. The stability and diffusion mechanism of impurity atoms in Ge are not well known in contrast to those of Si. Systematic studies of the stable sites of 2nd to 6th row element impurity atoms in Ge crystal were undertaken with density functional theory (DFT) and compared with those in Si crystal. It was found that most of the impurity atoms in Ge were stable at substitutional sites, while transition metals in Si were stable at interstitial sites and the other impurity atoms in Si were stable at substitutional sites. Furthermore, DFT calculations were carried out to clarify the mechanism responsible for the diffusion of impurity atoms in Ge crystals. The diffusion mechanism for 3d transition metals in Ge was found to be an interstitial-substitutional diffusion mechanism, while in Si this was an interstitial diffusion mechanism. The diffusion barriers in the proposed diffusion mechanisms in Ge and Si were quantitatively verified by comparing them to the experimental values in the literature.

  16. Peridynamic thermal diffusion

    SciTech Connect

    Oterkus, Selda; Madenci, Erdogan; Agwai, Abigail

    2014-05-15

    This study presents the derivation of ordinary state-based peridynamic heat conduction equation based on the Lagrangian formalism. The peridynamic heat conduction parameters are related to those of the classical theory. An explicit time stepping scheme is adopted for numerical solution of various benchmark problems with known solutions. It paves the way for applying the peridynamic theory to other physical fields such as neutronic diffusion and electrical potential distribution.

  17. Cosmological quantum chromodynamics, neutron diffusion, and the production of primordial heavy elements

    NASA Technical Reports Server (NTRS)

    Applegate, J. H.; Hogan, Craig J.; Scherrer, R. J.

    1988-01-01

    A simple one-dimensional model is used to describe the evolution of neutron density before and during nucleosynthesis in a high-entropy bubble left over from the cosmic quark-hadron phase transition. It is shown why cosmic nucleosynthesis in such a neutron-rich environment produces a surfeit of elements heavier than lithium. Analytical and numerical techniques are used to estimate the abundances of carbon, nitrogen, and heavier elements up to Ne-22. A high-density neutron-rich region produces enough primordial N-14 to be observed in stellar atmospheres. It shown that very heavy elements may be created in a cosmological r-process; the neutron exposure in the neutron-rich regions is large enough for the Ne-22 to trigger a catastrophic r-process runaway in which the quantity of heavy elements doubles in much less than an expansion time due to fission cycling. A primordial abundance of r-process elements is predicted to appear as an excess of rare earth elements in extremely metal-poor stars.

  18. Knockout from {sup 46}Ar:l=3 neutron removal and deviations from eikonal theory

    SciTech Connect

    Gade, A.; Bazin, D.; Enders, J.; Hu, Z.; Mueller, W.F.; Bertulani, C.A.; Brown, B.A.; Campbell, C.M.; Church, J.A.; Dinca, D.C.; Glasmacher, T.; Hansen, P.G.; Olliver, H.; Perry, B.C.; Sherrill, B.M.; Terry, J.R.; Yurkewicz, K.L.; Kemper, K.W.; Roeder, B.T.; Riley, L.A.

    2005-05-01

    The {sup 9}Be({sup 46}Ar,{sup 45}Ar+{gamma})X one-neutron removal reaction has been studied in inverse kinematics at 70 MeV/nucleon. Coincidences with {gamma} rays served to disentangle knockout events leading to the {sup 45}Ar ground state. The measured partial cross section corresponds to a spectroscopic factor of 4.9(7). The residue momentum distribution is compared with new calculations based on eikonal theory and represents the first case of an l=3 neutron removal, as is expected for populating a 0f{sub 7/2} hole in the N=28 projectile. However, the measured {sup 45}Ar momentum distribution has a marked low-momentum tail suggestive of dissipative effects whereas the eikonal model predictions are symmetric. The angular distribution of the residues confirms that there is a deviation from the model.

  19. Self-diffusion in molecular liquids: Medium-chain n-alkanes and coenzyme Q10 studied by quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Smuda, Christoph; Busch, Sebastian; Gemmecker, Gerd; Unruh, Tobias

    2008-07-01

    A systematic time-of-flight quasielastic neutron scattering (TOF-QENS) study on diffusion of n-alkanes in a melt is presented for the first time. As another example of a medium-chain molecule, coenzyme Q10 is investigated in the same way. The data were evaluated both in the frequency and in the time domain. TOF-QENS data can be satisfactorily described by different models, and it turned out that the determined diffusion coefficients are largely independent of the applied model. The derived diffusion coefficients are compared with values measured by pulsed-field gradient nuclear magnetic resonance (PFG-NMR). With increasing chain length, an increasing difference between the TOF-QENS diffusion coefficient and the PFG-NMR diffusion coefficient is observed. This discrepancy in the diffusion coefficients is most likely due to a change of the diffusion mechanism on a nanometer length scale for molecules of medium-chain length.

  20. Application of diffusion theory to neutral atom transport in fusion plasmas

    SciTech Connect

    Hasan, M.Z.; Conn, R.W.; Pomraning, G.C.

    1986-05-01

    It is found that energy dependent diffusion theory provides excellent accuracy in the modelling of transport of neutral atoms in fusion plasmas. Two reasons in particular explain the good accuracy. First, while the plasma is optically thick for low energy neutrals, it is optically thin for high energy neutrals and diffusion theory with Marshak boundary conditions gives accurate results for an optically thin medium even for small values of 'c', the ratio of the scattering to the total cross section. Second, the effective value of 'c' at low energy becomes very close to one due to the down-scattering via collisions of high energy neutrals. The first reason is proven both computationally and theoretically by solving the transport equation in a power series in 'c' and the diffusion equation with 'general' Marshak boundary conditions. The second reason is established numerically by comparing the results from a one-dimensional, general geometry, multigroup diffusion theory code, written for this purpose, with the results obtained using the transport code ANISN.

  1. Highly compact neutron stars in scalar-tensor theories of gravity: Spontaneous scalarization versus gravitational collapse

    NASA Astrophysics Data System (ADS)

    Mendes, Raissa F. P.; Ortiz, Néstor

    2016-06-01

    Scalar-tensor theories of gravity are extensions of general relativity (GR) including an extra, nonminimally coupled scalar degree of freedom. A wide class of these theories, albeit indistinguishable from GR in the weak field regime, predicts a radically different phenomenology for neutron stars, due to a nonperturbative, strong-field effect referred to as spontaneous scalarization. This effect is known to occur in theories where the effective linear coupling β0 between the scalar and matter fields is sufficiently negative, i.e. β0≲-4.35 , and has been strongly constrained by pulsar timing observations. In the test-field approximation, spontaneous scalarization manifests itself as a tachyonic-like instability. Recently, it was argued that, in theories where β0>0 , a similar instability would be triggered by sufficiently compact neutron stars obeying realistic equations of state. In this work we investigate the end state of this instability for some representative coupling functions with β0>0 . This is done both through an energy balance analysis of the existing equilibrium configurations, and by numerically determining the nonlinear Cauchy development of unstable initial data. We find that, contrary to the β0<0 case, the final state of the instability is highly sensitive to the details of the coupling function, varying from gravitational collapse to spontaneous scalarization. In particular, we show, for the first time, that spontaneous scalarization can happen in theories with β0>0 , which could give rise to novel astrophysical tests of the theory of gravity.

  2. Application of subgroup decomposition in diffusion theory to gas cooled thermal reactor problem

    SciTech Connect

    Yasseri, S.; Rahnema, F.

    2013-07-01

    In this paper, the accuracy and computational efficiency of the subgroup decomposition (SGD) method in diffusion theory is assessed in a ID benchmark problem characteristic of gas cooled thermal systems. This method can be viewed as a significant improvement in accuracy of standard coarse-group calculations used for VHTR whole core analysis in which core environmental effect and energy angle coupling are pronounced. It is shown that a 2-group SGD calculation reproduces fine-group (47) results with 1.5 to 6 times faster computational speed depending on the stabilizing schemes while it is as efficient as single standard 6-group diffusion calculation. (authors)

  3. Macroscopic fluctuation theory and first-passage properties of surface diffusion

    NASA Astrophysics Data System (ADS)

    Meerson, Baruch; Vilenkin, Arkady

    2016-02-01

    We investigate nonequilibrium fluctuations of a solid surface governed by the stochastic Mullins-Herring equation with conserved noise. This equation describes surface diffusion of adatoms accompanied by their exchange between the surface and the bulk of the solid, when desorption of adatoms is negligible. Previous works dealt with dynamic scaling behavior of the fluctuating interface. Here we determine the probability that the interface first reaches a large given height at a specified time. We also find the optimal time history of the interface conditional on this nonequilibrium fluctuation. We obtain these results by developing a macroscopic fluctuation theory of surface diffusion.

  4. Diffusion flame analysis of twin plane jets via a kinetic theory approach

    NASA Astrophysics Data System (ADS)

    Chuang, Shu-Hao; Hong, Zuu-Chang

    1991-07-01

    Diffusion flame solutions of twin plane jets based on a turbulent kinetic theory due to Chung and a Green function method by Hong are presented. The chemical reaction between fuel and oxidizer is assumed to be one-step, ne-direction and infinitely fast. The solutions are obtained by direct integration over a constructed probability density function in velocity space. The probability density functions of reactants in transverse velocity space, species mass fraction distributions, turbulent transport of momentum and heat, temperature distributions and flame structure are also considered in this paper. The diffusion flame phenomena of the twin plane jets show that the interaction between the two jets is a dominant factor.

  5. Detailed numerical investigation of the Bohm limit in cosmic ray diffusion theory

    SciTech Connect

    Hussein, M.; Shalchi, A. E-mail: andreasm4@yahoo.com

    2014-04-10

    A standard model in cosmic ray diffusion theory is the so-called Bohm limit in which the particle mean free path is assumed to be equal to the Larmor radius. This type of diffusion is often employed to model the propagation and acceleration of energetic particles. However, recent analytical and numerical work has shown that standard Bohm diffusion is not realistic. In the present paper, we perform test-particle simulations to explore particle diffusion in the strong turbulence limit in which the wave field is much stronger than the mean magnetic field. We show that there is indeed a lower limit of the particle mean free path along the mean field. In this limit, the mean free path is directly proportional to the unperturbed Larmor radius like in the traditional Bohm limit, but it is reduced by the factor δB/B {sub 0} where B {sub 0} is the mean field and δB the turbulent field. Although we focus on parallel diffusion, we also explore diffusion across the mean field in the strong turbulence limit.

  6. Field theory for a reaction-diffusion model of quasispecies dynamics.

    PubMed

    Pastor-Satorras, R; Solé, R V

    2001-11-01

    RNA viruses are known to replicate with extremely high mutation rates. These rates are actually close to the so-called error threshold. This threshold is in fact a critical point beyond which genetic information is lost through a second-order phase transition, which has been dubbed as the "error catastrophe." Here we explore this phenomenon using a field theory approximation to the spatially extended Swetina-Schuster quasispecies model [J. Swetina and P. Schuster, Biophys. Chem. 16, 329 (1982)], a single-sharp-peak landscape. In analogy with standard absorbing-state phase transitions, we develop a reaction-diffusion model whose discrete rules mimic the Swetina-Schuster model. The field theory representation of the reaction-diffusion system is constructed. The proposed field theory belongs to the same universality class as a conserved reaction-diffusion model previously proposed [F. van Wijland et al., Physica A 251, 179 (1998)]. From the field theory, we obtain the full set of exponents that characterize the critical behavior at the error threshold. Our results present the error catastrophe from a different point of view and suggest that spatial degrees of freedom can modify several mean-field predictions previously considered, leading to the definition of characteristic exponents that could be experimentally measurable. PMID:11735970

  7. The science of making more torque from wind: Diffuser experiments and theory revisited.

    NASA Astrophysics Data System (ADS)

    van Bussel, Gerard J. W., , Dr

    2007-07-01

    History of the development of DAWT's stretches a period of more than 50 years. So far without any commercial success. In the initial years of development the conversion process was not understood very well. Experimentalists strived at maximising the pressure drop over the rotor disk, but lacked theoretical insight into optimising the performance. Increasing the diffuser area as well as the negative back pressure at the diffuser exit was found profitable in the experiments. Claims were made that performance augmentations with a factor of 4 or more were feasible, but these claims were not confirmed experimentally. With a simple momentum theory, developed along the lines of momentum theory for bare windturbines, it was shown that power augmentation is proportional to the mass flow increase generated at the nozzle of the DAWT. Such mass flow augmentation can be achieved through two basic principles: increase in the diffuser exit ratio and/or by decreasing the negative back pressure at the exit. The theory predicts an optimal pressure drop of 8/9 equal to the pressure drop for bare windturbines independent from the mass flow augmentation obtained. The maximum amount of energy that can be extracted per unit of volume with a DAWT is also the same as for a bare wind turbine. Performance predictions with this theory show good agreement with a CFD calculation. Comparison with a large amount of experimental data found in literature shows that in practice power augmentation factors above 3 have never been achieved. Referred to rotor power coefficients values of CP,rotort= 2.5 might be achievable according to theory, but to the cost of fairly large diffuser area ratio's, typically values of β>4.5.

  8. Neutron distribution, electric dipole polarizability and weak form factor of 48Ca from chiral effective field theory

    NASA Astrophysics Data System (ADS)

    Wendt, Kyle

    2016-03-01

    How large is the 48Ca nucleus? While the electric charge distribution of this nucleus was accurately measured decades ago, both experimental and ab initio descriptions of the neutron distribution are deficient. We address this question using ab initio calculations of the electric charge, neutron, and weak distributions of 48Ca based on chiral effective field theory. Historically, chiral effective field theory calculations of systems larger than 4 nucleons have been plagued by strong systematic errors which result in theoretical descriptions that are too dense and over bound. We address these errors using a novel approach that permits us to accurately reproduce binding energy and charge radius of 48Ca, and to constrain electroweak observables such as the neutron radius, electric dipole polarizability, and the weak form factor. For a full list of contributors to this work, please see ``Neutron and weak-charge distributions of the 48Ca nucleus,'' Nature Physics (2015) doi:10.1038/nphys3529.

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

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

  10. Theory of charge transport in diffusive normal metal/conventional superconductor point contacts

    NASA Astrophysics Data System (ADS)

    Tanaka, Y.; Golubov, A. A.; Kashiwaya, S.

    2003-08-01

    Tunneling conductance in diffusive normal (DN) metal/insulator/s-wave superconductor junctions is calculated for various situations by changing the magnitudes of the resistance and Thouless energy in DN and the transparency of the insulating barrier. The generalized boundary condition introduced by Nazarov [Superlattices and Microstructures 25, 1221 (1999)] is applied, where the ballistic theory by Blonder, Tinkham, and Klapwijk and the diffusive theory by Volkov, Zaitsev, and Klapwijk based on the boundary condition of Kupriyanov and Lukichev are naturally reproduced. It is shown that the proximity effect can enhance (reduce) the tunneling conductance for junctions with a low (high) transparency. A wide variety of dependencies of tunneling conductance on voltage bias is demonstrated including a U-shaped gap like structure, a zero-bias conductance peak, and a zero-bias conductance dip. The temperature dependence of tunneling conductance is also calculated, and the conditions for the reentrance effect are studied.

  11. A statistical mechanical theory of the self-diffusion coefficient of simple ions in electrolyte solutions

    NASA Astrophysics Data System (ADS)

    Yuan Mou, Chung; Thacher, Thomas S.; Lin, Jeong-long

    1983-07-01

    A statistical mechanical theory of the self-diffusion coefficient of ions in solutions of simple electrolytes has been developed. Beginning with a generalized Langevin equation the self-diffusion coefficients of ions may be evaluated at the zero-frequency limit of the Laplace transform of the random force correlation function. We assume that the random force acting on the tagged ion may be separated into contributions from the solvent part, due to the surrounding solvent molecules and an ionic part due to all the other ions. Further, we assume that the evolution of the ionic random force is governed by the Smoluchowski operator. With these assumptions and using the Debye-Hückel pair correlation function, the Onsager limiting law may be derived. Numerical calculations using the HNC pair correlation function shows that our theory can describe experimental data of moderately concentrated solutions adequately.

  12. Rotational flow in a curved-wall diffuser designed by using the inverse method of solution of potential flow theory

    NASA Astrophysics Data System (ADS)

    Yang, T. T.; Ntone, F.

    1981-05-01

    Curved wall diffusers designed by using an inverse method of solution of potential flow theory have been shown to be both short and highly efficient. These features make this type of diffuser attractive in thrust ejector applications. In ejectors, however, the flow at the diffuser inlet is nearly a uniform shear flow. This paper presents a method used in examining the flow velocity along the diffuser wall and some of the analytical results for diffusers designed with potential flow theory and receiving a rotational flow. The inlet flow vorticity and the diffuser area ratios prescribed in the inverse solution of the irrotational flow are the parameters of the study. The geometry of a sample ejector using such a diffuser and its estimated thrust augmentation ratio are also presented.

  13. Beta-decay rate and beta-delayed neutron emission probability of improved gross theory

    NASA Astrophysics Data System (ADS)

    Koura, Hiroyuki

    2014-09-01

    A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for

  14. Applicability of the Taylor-Green-Kubo formula in particle diffusion theory

    NASA Astrophysics Data System (ADS)

    Shalchi, A.

    2011-04-01

    Diffusion coefficients of particles can be defined as time integrals over velocity correlation functions, or as mean square displacements divided by time. In the present paper it is demonstrated that these two definitions are not equivalent. An exact relation between mean square displacements and velocity correlations is derived. As an example of the applicability of these results so-called drift coefficients of energetic particles are discussed. It is explained why different previous approaches in drift theory provided contradicting results.

  15. Applicability of the Taylor-Green-Kubo formula in particle diffusion theory

    SciTech Connect

    Shalchi, A.

    2011-04-15

    Diffusion coefficients of particles can be defined as time integrals over velocity correlation functions, or as mean square displacements divided by time. In the present paper it is demonstrated that these two definitions are not equivalent. An exact relation between mean square displacements and velocity correlations is derived. As an example of the applicability of these results so-called drift coefficients of energetic particles are discussed. It is explained why different previous approaches in drift theory provided contradicting results.

  16. Non-monotonic size dependence of diffusion and levitation effect: A mode-coupling theory analysis

    NASA Astrophysics Data System (ADS)

    Nandi, Manoj Kumar; Banerjee, Atreyee; Bhattacharyya, Sarika Maitra

    2013-03-01

    We present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various interaction potentials. For the first time, using MCT, it is shown that only for strongly attractive interaction potential with allowing interpenetration between the solute-solvent pair the diffusion exhibits a non-monotonic solute size dependence which has earlier been reported in simulation studies [P. K. Ghorai and S. Yashonath, J. Phys. Chem. B 109, 5824-5835 (2005), 10.1021/jp046312w]. For weak attractive and repulsive potential the solute size dependence of diffusion shows monotonic behaviour. It is also found that for systems where the interaction potential does not allow solute-solvent interpenetration, the solute cannot explore the neck of the solvent cage. Thus these systems even with strong attractive interaction will never show any non-monotonic size dependence of diffusion. This non-monotonic size dependence of diffusion has earlier been connected to levitation effect [S. Yashonath and P. Santikary, J. Phys. Chem. 98, 6368 (1994), 10.1021/j100076a022]. We also show that although levitation is a dynamic phenomena, the effect of levitation can be obtained in the static radial distribution function.

  17. Diffusion of hydrocarbon in zeolite and effect due to pore topology: Neutron scattering and MD simulation studies

    NASA Astrophysics Data System (ADS)

    Mitra, S.; Sharma, V. K.; Chaplot, S. L.; Mukhopadhyay, R.

    2014-02-01

    Here we report detailed dynamical landscape of propylene adsorbed in ZSM5 and Na-Y zeolites as studied by neutron scattering and molecular dynamics (MD) simulation. Separation of propylene molecule from propane in the petrochemical industry is an important issue because it is one of the most demanding energetic separation processes due to their very close relative volatilities and molecular sizes. Aim here is to investigate the correlation of the host topology towards the dynamics of guest molecules. ZSM5 zeolite is typified by a network of intersecting channels while Na-Y has a network of spherical supercages interconnected by windows. Both neutron scattering and MD simulation studies indicated that translational diffusion of propylene is more restricted in ZSM5 compared to Na-Y zeolite. Fully atomistic MD simulation studies showed that the translation involves three different time scales and rotational motion of the propylene is much faster than translation. The observed dynamics in QENS spectrometer (ΔE ˜ 200 μeV) corresponds to one of the three translational components indicated in the MD simulation. The faster rotational motion is observed in a wider energy window spectrometer (ΔE ˜ 3 meV). MD simulation results also show some interesting features like, non-isotropic rotation in ZSM5 while it has been isotropic in Na-Y zeolite. It is also found that propylene molecules prefer to orient along channels of ZSM5 zeolite.

  18. Diffusion, diffraction des neutrons en temps réel et études réalisées in situ

    NASA Astrophysics Data System (ADS)

    Isnard, O.

    2003-02-01

    La diffusion des neutrons est une technique particulièrement efficace pour l'analyse en temps réel des processus réactionnels dans la matière. La diffraction de neutrons in situ a été développée très tôt sur les sources à haut flux tel que l'Institut Laue Langevin. Ces études nécessitent un flux de neutrons important et un détecteur couvrant un domaine angulaire le plus grand possible. Les neutrons offrent la spécificité d'être très peu absorbés par nombre de matériaux, cette faible absorption fait de la diffusion neutronique un excellent outil pour sonder la matière en volume et de manière non destructive. Cela permet en particulier d'utiliser des environnements d'échantillons complexes tout en conservant un flux raisonnable. La diffusion de neutrons en temps réel est donc très largement utilisée par diverses communautés scientifiques : sciences des matériaux, physiciens, chimistes... L'objet de ce cours est de donner les paramètres importants pour ce type d'étude et d'illustrer le propos à l'aide d'exemples pris dans des domaines scientifiques divers : électrochimie, magnétisme, métallurgie, chimie du solide. Après avoir présenté quelques repères méthodologiques sur les méthodes d'acquisition de données, des exemples montreront le fort potentiel de la diffusion neutronique en temps réel pour l'étude de la matière dans des conditions dynamiques. Enfin, nous donnerons aussi quelques conseils pour la visualisation, le dépouillement et l'analyse de ce type d'expérience. La diffusion des neutrons sur poudre est actuellement très bien adaptée aux études réalisées in situ. Cependant, nous verrons que la faisabilité d'études in situ s'étend à d'autres techniques expérimentales telles que la diffusion des neutrons aux petits angles et même la diffusion sur monocristal qui est en plein renouveau.

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

    NASA Astrophysics Data System (ADS)

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

    1988-07-01

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

  20. Slowly rotating anisotropic neutron stars in general relativity and scalar-tensor theory

    NASA Astrophysics Data System (ADS)

    Silva, Hector O.; Macedo, Caio F. B.; Berti, Emanuele; Crispino, Luís C. B.

    2015-07-01

    Some models (such as the Skyrme model, a low-energy effective field theory for quantum chromodynamics) suggest that the high-density matter prevailing in neutron star (NS) interiors may be significantly anisotropic. Anisotropy is known to affect the bulk properties of nonrotating NSs in general relativity (GR). In this paper we study the effects of anisotropy on slowly rotating stars in GR. We also consider one of the most popular extensions of Einstein’s theory, namely scalar-tensor theories allowing for spontaneous scalarization (a phase transition similar to spontaneous magnetization in ferromagnetic materials). Anisotropy affects the moment of inertia of NSs (a quantity that could potentially be measured in binary pulsar systems) in both theories. We find that the effects of scalarization increase (decrease) when the tangential pressure is bigger (smaller) than the radial pressure, and we present a simple criterion to determine the onset of scalarization by linearizing the scalar-field equation. Our calculations suggest that binary pulsar observations may constrain the degree of anisotropy or even, more optimistically, provide evidence for anisotropy in NS cores.

  1. Crossover from localized to diffusive water dynamics in carbon nanohorns: A comprehensive quasielastic neutron-scattering analysis

    NASA Astrophysics Data System (ADS)

    Bellissent-Funel, Marie-Claire; Kaneko, Katsumi; Ohba, Tomonori; Appavou, Marie-Sousai; Soininen, Antti J.; Wuttke, Joachim

    2016-02-01

    Incoherent neutron scattering by water confined in carbon nanohorns was measured with the backscattering spectrometer SPHERES and analyzed in exemplary breadth and depth. Quasielastic spectra admit δ -plus-Kohlrausch fits over a wide q and T range. From the q and T dependence of fitted amplitudes and relaxation times, however, it becomes clear that the fits do not represent a uniform physical process, but that there is a crossover from localized motion at low T to diffusive α relaxation at high T . The crossover temperature of about 210 to 230 K increases with decreasing wave number, which is incompatible with a thermodynamic strong-fragile transition. Extrapolated diffusion coefficients D (T ) indicate that water motion is at room temperature about 2.5 times slower than in the bulk; in the supercooled state this factor becomes smaller. At even higher temperatures, where the α spectrum is essentially flat, a few percentages of the total scattering go into a Lorentzian with a width of about 1.6 μ eV , probably due to functional groups on the surface of the nanohorns.

  2. Crossover from localized to diffusive water dynamics in carbon nanohorns: A comprehensive quasielastic neutron-scattering analysis.

    PubMed

    Bellissent-Funel, Marie-Claire; Kaneko, Katsumi; Ohba, Tomonori; Appavou, Marie-Sousai; Soininen, Antti J; Wuttke, Joachim

    2016-02-01

    Incoherent neutron scattering by water confined in carbon nanohorns was measured with the backscattering spectrometer SPHERES and analyzed in exemplary breadth and depth. Quasielastic spectra admit δ-plus-Kohlrausch fits over a wide q and T range. From the q and T dependence of fitted amplitudes and relaxation times, however, it becomes clear that the fits do not represent a uniform physical process, but that there is a crossover from localized motion at low T to diffusive α relaxation at high T. The crossover temperature of about 210 to 230 K increases with decreasing wave number, which is incompatible with a thermodynamic strong-fragile transition. Extrapolated diffusion coefficients D(T) indicate that water motion is at room temperature about 2.5 times slower than in the bulk; in the supercooled state this factor becomes smaller. At even higher temperatures, where the α spectrum is essentially flat, a few percentages of the total scattering go into a Lorentzian with a width of about 1.6μeV, probably due to functional groups on the surface of the nanohorns.

  3. Diffusion Processes in Water on Oxide Surfaces: Quasielastic Neutron Scattering Study of Hydration Water in Rutile Nano-Powder

    SciTech Connect

    Chu, Xiang-Qiang; Ehlers, Georg; Mamontov, Eugene; Podlesnyak, Andrey A; Wang, Wei; Wesolowski, David J

    2011-01-01

    Quasielastic neutron scattering (QENS) was used to investigate the diffusion dynamics of hydration water on the surface of rutile (TiO{sub 2}) nanopowder. The dynamics measurements utilizing two inelastic instruments, a backscattering spectrometer and a disk chopper spectrometer, probed the fast, intermediate, and slow motions of the water molecules on the time scale of picoseconds to more than a nanosecond. We employed a model-independent analysis of the data collected at each value of the scattering momentum transfer to investigate the temperature dependence of several diffusion components. All of the probed components were present in the studied temperature range of 230-320 K, providing, at a first sight, no evidence of discontinuity in the hydration water dynamics. However, a qualitative change in the elastic scattering between 240 and 250 K suggested a surface freezing-melting transition, when the motions that were localized at lower temperatures became delocalized at higher temperatures. On the basis of our previous molecular dynamics simulations of this system, we argue that interpretation of QENS data from such a complex interfacial system requires at least qualitative input from simulations, particularly when comparing results from spectrometers with very different energy resolutions and dynamic ranges.

  4. Studies of molecular diffusion in single-supported bilayer lipid membranes at low hydration by quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Miskowiec, A.; Bai, M.; Lever, M.; Taub, H.; Hansen, F. Y.; Jenkins, T.; Tyagi, M.; Neumann, D. A.; Diallo, S. O.; Mamontov, E.; Herwig, K. W.

    2011-03-01

    We have extended our investigation of the quasielastic neutron scattering from single-supported bilayer lipid membranes to a sample of lower hydration using the backscattering spectrometer BASIS at the SNS of ORNL. To focus on the diffusive motion of the water, tail-deuterated DMPC membranes were deposited onto Si O2 -coated Si(100) substrates and characterized by AFM. Compared to a sample of higher hydration, the dryer sample does not have a step-like freezing transition at ~ 267 K and shows less intensity at higher temperatures of a broad Lorentzian component representing bulk-like water. However, the broad component of the ``wet'' and ``dry'' samples behaves similarly at lower temperatures. The dryer sample also shows evidence of a narrow Lorentzian component that has a different temperature dependence than that attributed to conformational changes of the alkyl tails of the lipid molecules in the wet sample. We tentatively identify this slower diffusive motion (time scale ~ 1 ns) with water more tightly bound to the membrane. Supported by NSF Grant No. DMR-0705974.

  5. Structure and phase diagram of an adhesive colloidal dispersion under high pressure: A small angle neutron scattering, diffusing wave spectroscopy, and light scattering study

    NASA Astrophysics Data System (ADS)

    Vavrin, R.; Kohlbrecher, J.; Wilk, A.; Ratajczyk, M.; Lettinga, M. P.; Buitenhuis, J.; Meier, G.

    2009-04-01

    We have applied small angle neutron scattering (SANS), diffusing wave spectroscopy (DWS), and dynamic light scattering (DLS) to investigate the phase diagram of a sterically stabilized colloidal system consisting of octadecyl grafted silica particles dispersed in toluene. This system is known to exhibit gas-liquid phase separation and percolation, depending on temperature T, pressure P, and concentration φ. We have determined by DLS the pressure dependence of the coexistence temperature and the spinodal temperature to be dP /dT=77 bar/K. The gel line or percolation limit was measured by DWS under high pressure using the condition that the system became nonergodic when crossing it and we determined the coexistence line at higher volume fractions from the DWS limit of turbid samples. From SANS measurements we determined the stickiness parameter τB(P,T,φ) of the Baxter model, characterizing a polydisperse adhesive hard sphere, using a global fit routine on all curves in the homogenous regime at various temperatures, pressures, and concentrations. The phase coexistence and percolation line as predicted from τB(P,T,φ) correspond with the determinations by DWS and were used to construct an experimental phase diagram for a polydisperse sticky hard sphere model system. A comparison with theory shows good agreement especially concerning the predictions for the percolation threshold. From the analysis of the forward scattering we find a critical scaling law for the susceptibility corresponding to mean field behavior. This finding is also supported by the critical scaling properties of the collective diffusion.

  6. Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions

    SciTech Connect

    Zhang, Rui; Schweizer, Kenneth S.

    2015-10-14

    We heuristically formulate a microscopic, force level, self-consistent nonlinear Langevin equation theory for activated barrier hopping and non-hydrodynamic diffusion of a hard sphere penetrant in very dense hard sphere fluid matrices. Penetrant dynamics is controlled by a rich competition between force relaxation due to penetrant self-motion and collective matrix structural (alpha) relaxation. In the absence of penetrant-matrix attraction, three activated dynamical regimes are predicted as a function of penetrant-matrix size ratio which are physically distinguished by penetrant jump distance and the nature of matrix motion required to facilitate its hopping. The penetrant diffusion constant decreases the fastest with size ratio for relatively small penetrants where the matrix effectively acts as a vibrating amorphous solid. Increasing penetrant-matrix attraction strength reduces penetrant diffusivity due to physical bonding. For size ratios approaching unity, a distinct dynamical regime emerges associated with strong slaving of penetrant hopping to matrix structural relaxation. A crossover regime at intermediate penetrant-matrix size ratio connects the two limiting behaviors for hard penetrants, but essentially disappears if there are strong attractions with the matrix. Activated penetrant diffusivity decreases strongly with matrix volume fraction in a manner that intensifies as the size ratio increases. We propose and implement a quasi-universal approach for activated diffusion of a rigid atomic/molecular penetrant in a supercooled liquid based on a mapping between the hard sphere system and thermal liquids. Calculations for specific systems agree reasonably well with experiments over a wide range of temperature, covering more than 10 orders of magnitude of variation of the penetrant diffusion constant.

  7. Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Schweizer, Kenneth S.

    2015-10-01

    We heuristically formulate a microscopic, force level, self-consistent nonlinear Langevin equation theory for activated barrier hopping and non-hydrodynamic diffusion of a hard sphere penetrant in very dense hard sphere fluid matrices. Penetrant dynamics is controlled by a rich competition between force relaxation due to penetrant self-motion and collective matrix structural (alpha) relaxation. In the absence of penetrant-matrix attraction, three activated dynamical regimes are predicted as a function of penetrant-matrix size ratio which are physically distinguished by penetrant jump distance and the nature of matrix motion required to facilitate its hopping. The penetrant diffusion constant decreases the fastest with size ratio for relatively small penetrants where the matrix effectively acts as a vibrating amorphous solid. Increasing penetrant-matrix attraction strength reduces penetrant diffusivity due to physical bonding. For size ratios approaching unity, a distinct dynamical regime emerges associated with strong slaving of penetrant hopping to matrix structural relaxation. A crossover regime at intermediate penetrant-matrix size ratio connects the two limiting behaviors for hard penetrants, but essentially disappears if there are strong attractions with the matrix. Activated penetrant diffusivity decreases strongly with matrix volume fraction in a manner that intensifies as the size ratio increases. We propose and implement a quasi-universal approach for activated diffusion of a rigid atomic/molecular penetrant in a supercooled liquid based on a mapping between the hard sphere system and thermal liquids. Calculations for specific systems agree reasonably well with experiments over a wide range of temperature, covering more than 10 orders of magnitude of variation of the penetrant diffusion constant.

  8. Diffuse scattered field of elastic waves from randomly rough surfaces using an analytical Kirchhoff theory

    NASA Astrophysics Data System (ADS)

    Shi, F.; Lowe, M. J. S.; Xi, X.; Craster, R. V.

    2016-07-01

    We develop an elastodynamic theory to predict the diffuse scattered field of elastic waves by randomly rough surfaces, for the first time, with the aid of the Kirchhoff approximation (KA). Analytical expressions are derived incorporating surface statistics, to represent the expectation of the angular distribution of the diffuse intensity for different modes. The analytical solutions are successfully verified with numerical Monte Carlo simulations, and also validated by comparison with experiments. We then apply the theory to quantitatively investigate the effects of the roughness and the shear-to-compressional wave speed ratio on the mode conversion and the scattering intensity, from low to high roughness within the valid region of KA. Both the direct and the mode converted intensities are significantly affected by the roughness, which leads to distinct scattering patterns for different wave modes. The mode conversion effect is very strong around the specular angle and it is found to increase as the surface appears to be more rough. In addition, the 3D roughness induced coupling between the out-of-plane shear horizontal (SH) mode and the in-plane modes is studied. The intensity of the SH mode is shown to be very sensitive to the out-of-plane correlation length, being influenced more by this than by the RMS value of the roughness. However, it is found that the depolarization pattern for the diffuse field is independent of the actual value of the roughness.

  9. Classical nucleation theory for solute precipitation amended with diffusion and reaction processes near the interface

    NASA Astrophysics Data System (ADS)

    Borisenko, Alexander

    2016-05-01

    During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its average bulk value. This feature affects the rates of attachment and detachment of solute atoms at the interface, and, therefore, the entire nucleation-growth kinetics is altered. Unless quite obvious, this effect has been ignored in classical nucleation theory. To illustrate the results of this approach, for the case of homogeneous nucleation, we calculate the total solubility and the nucleation rate as functions of two parameters of the model (the reduced interface energy and the inverse second Damköhler number), and we compare these results to the classical ones. One can conclude that discrepancies with classical nucleation theory are great in the diffusion-limited regime, when the rate of bulk diffusion is small compared to the rate of interface reactions, while in the opposite interface-limited case they vanish.

  10. Classical nucleation theory for solute precipitation amended with diffusion and reaction processes near the interface.

    PubMed

    Borisenko, Alexander

    2016-05-01

    During the processes of nucleation and growth of a precipitate cluster from a supersaturated solution, the diffusion flux between the cluster and the solution changes the solute concentration near the cluster-solution interface from its average bulk value. This feature affects the rates of attachment and detachment of solute atoms at the interface, and, therefore, the entire nucleation-growth kinetics is altered. Unless quite obvious, this effect has been ignored in classical nucleation theory. To illustrate the results of this approach, for the case of homogeneous nucleation, we calculate the total solubility and the nucleation rate as functions of two parameters of the model (the reduced interface energy and the inverse second Damköhler number), and we compare these results to the classical ones. One can conclude that discrepancies with classical nucleation theory are great in the diffusion-limited regime, when the rate of bulk diffusion is small compared to the rate of interface reactions, while in the opposite interface-limited case they vanish.

  11. Swelling pressure of a divalent-rich bentonite: Diffuse double-layer theory revisited

    NASA Astrophysics Data System (ADS)

    Schanz, Tom; Tripathy, Snehasis

    2009-05-01

    Physicochemical forces are responsible for the swelling pressure development in saturated bentonites. In this paper, the swelling pressures of several compacted bentonite specimens for a range of dry density of 1.10-1.73 Mg/m3 were measured experimentally. The clay used was a divalent-rich Ca-Mg-bentonite with 12% exchangeable Na+ ions. The theoretical swelling pressure-dry density relationship for the bentonite was determined from the Gouy-Chapman diffuse double-layer theory. A comparison of experimental and theoretical results showed that the experimental swelling pressures are either smaller or greater than their theoretical counterparts within different dry density ranges. It is shown that for dry density of the clay less than about 1.55 Mg/m3, a possible dissociation of ions from the surface of the clay platelets contributed to the diffuse double-layer repulsion. At higher dry densities, the adsorptive forces due to surface and ion hydration dominated the swelling pressures of the clay. A comparison of the modified diffuse double-layer theory equations proposed in the literature to determine the swelling pressures of compacted bentonites and the experimental results for the clay in this study showed that the agreement between the calculated and experimental swelling pressure results is very good for dry densities less than 1.55 Mg/m3, whereas at higher dry densities the use of the equations was found to be limited.

  12. Many-particle theory of nuclear systems with application to neutron star matter

    NASA Technical Reports Server (NTRS)

    Chakkalakal, D. A.; Yang, C. H.

    1974-01-01

    The energy-density relation was calculated for pure neutron matter in the density range relevant for neutron stars, using four different hard-core potentials. Calculations are also presented of the properties of the superfluid state of the neutron component, along with the superconducting state of the proton component and the effects of polarization in neutron star matter.

  13. Translational diffusion of water inside hydrophobic carbon micropores studied by neutron spectroscopy and molecular dynamics simulation

    DOE PAGES

    Diallo, S. O.; Vlcek, L.; Mamontov, E.; Keum, J. K.; Chen, Jihua; Hayes, J. S.; Chialvo, A. A.

    2015-02-17

    When water molecules are confined to nanoscale spacings, such as in the nanometer-size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures (~150 K), leading to a metastable liquid state with remarkable physical properties. Here we have investigated the ambient pressure diffusive dynamics of water in microporous Kynol ACF-10 (average pore size ~11.6 Å, with primarily slit-like pores) from temperature T = 280 K in its stable liquid state down to T = 230 K into the metastable supercooled phase. The observed characteristic relaxation times and diffusion coefficients are found to be, respectively, higher and lower than those in bulk water, indicating a slowing down of the water mobility with decreasing temperature. The observed temperature-dependent average relaxation time (more » $${{\\tau}}$$) when compared to previous findings indicate that it is the width of the slit pores-not their curvature-that primarily affects the dynamics of water for pore sizes larger than 10 Å. The experimental observations are compared to complementary molecular dynamics simulations of a model system, in which we studied the diffusion of water within the 11.6 Å gap of two parallel graphene sheets. We find generally a reasonable agreement between the observed and calculated relaxation times at the low momentum transfer Q (Q ≤ 0.9 Å-1). At high Q, however, where localized dynamics becomes relevant, this ideal system does not satisfactorily reproduce the measurements. Consequently, the simulations are compared to the experiments at low Q, where the two can be best reconciled. The best agreement is obtained for the diffusion parameter D associated with the hydrogen-site when a representative stretched exponential function, rather than the standard bimodal exponential model, is used to parametrize the self-correlation function I (Q,t).« less

  14. Translational diffusion of water inside hydrophobic carbon micropores studied by neutron spectroscopy and molecular dynamics simulation

    SciTech Connect

    Diallo, S. O.; Vlcek, L.; Mamontov, E.; Keum, J. K.; Chen, Jihua; Hayes, J. S.; Chialvo, A. A.

    2015-02-17

    When water molecules are confined to nanoscale spacings, such as in the nanometer-size pores of activated carbon fiber (ACF), their freezing point gets suppressed down to very low temperatures (~150 K), leading to a metastable liquid state with remarkable physical properties. Here we have investigated the ambient pressure diffusive dynamics of water in microporous Kynol ACF-10 (average pore size ~11.6 Å, with primarily slit-like pores) from temperature T = 280 K in its stable liquid state down to T = 230 K into the metastable supercooled phase. The observed characteristic relaxation times and diffusion coefficients are found to be, respectively, higher and lower than those in bulk water, indicating a slowing down of the water mobility with decreasing temperature. The observed temperature-dependent average relaxation time (${{\\tau}}$) when compared to previous findings indicate that it is the width of the slit pores-not their curvature-that primarily affects the dynamics of water for pore sizes larger than 10 Å. The experimental observations are compared to complementary molecular dynamics simulations of a model system, in which we studied the diffusion of water within the 11.6 Å gap of two parallel graphene sheets. We find generally a reasonable agreement between the observed and calculated relaxation times at the low momentum transfer Q (Q ≤ 0.9 Å-1). At high Q, however, where localized dynamics becomes relevant, this ideal system does not satisfactorily reproduce the measurements. Consequently, the simulations are compared to the experiments at low Q, where the two can be best reconciled. The best agreement is obtained for the diffusion parameter D associated with the hydrogen-site when a representative stretched exponential function, rather than the standard bimodal exponential model, is used to parametrize the self-correlation function I (Q,t).

  15. Determination of optical parameters of human breast tissue from spatially resolved fluorescence: a diffusion theory model

    NASA Astrophysics Data System (ADS)

    Nair, Maya S.; Ghosh, Nirmalya; Raju, Narisetti Sundar; Pradhan, Asima

    2002-07-01

    We report the measurement of optical transport parameters of pathologically characterized malignant tissues, normal tissues, and different types of benign tumors of the human breast in the visible wavelength region. A spatially resolved steady-state diffuse fluorescence reflectance technique was used to estimate the values for the reduced-scattering coefficient (mu's) and the absorption coefficient (mua) of human breast tissues at three wavelengths (530, 550, and 590 nm). Different breast tissues could be well differentiated from one another, and different benign tumors could also be distinguished by their measured transport parameters. A diffusion theory model was developed to describe fluorescence light energy distribution, especially its spatial variation in a turbid and multiply scattering medium such as human tissue. The validity of the model was checked with a Monte Carlo simulation and also with different tissue phantoms prepared with polystyrene microspheres as scatterers, riboflavin as fluorophores, and methylene blue as absorbers.

  16. Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models

    NASA Astrophysics Data System (ADS)

    Lindner, Benjamin; Yi, Zheng; Prinz, Jan-Hendrik; Smith, Jeremy C.; Noé, Frank

    2013-11-01

    The dynamics of complex molecules can be directly probed by inelastic neutron scattering experiments. However, many of the underlying dynamical processes may exist on similar timescales, which makes it difficult to assign processes seen experimentally to specific structural rearrangements. Here, we show how Markov models can be used to connect structural changes observed in molecular dynamics simulation directly to the relaxation processes probed by scattering experiments. For this, a conformational dynamics theory of dynamical neutron and X-ray scattering is developed, following our previous approach for computing dynamical fingerprints of time-correlation functions [F. Noé, S. Doose, I. Daidone, M. Löllmann, J. Chodera, M. Sauer, and J. Smith, Proc. Natl. Acad. Sci. U.S.A. 108, 4822 (2011)]. Markov modeling is used to approximate the relaxation processes and timescales of the molecule via the eigenvectors and eigenvalues of a transition matrix between conformational substates. This procedure allows the establishment of a complete set of exponential decay functions and a full decomposition into the individual contributions, i.e., the contribution of every atom and dynamical process to each experimental relaxation process.

  17. Failure of the gross theory of beta decay in neutron deficient nuclei

    DOE PAGES

    Firestone, R. B.; Schwengner, R.; Zuber, K.

    2015-05-28

    The neutron deficient isotopes 117-121Xe, 117-124Cs, and 122-124Ba were produced by a beam of 28Si from the LBNL SuperHILAC on a target of natMo. The isotopes were mass separated and their beta decay schemes were measured with a Total Absorption Spectrometer (TAS). The beta strengths derived from these data decreased dramatically to levels above ≈1 MeV for the even-even decays; 3–4 MeV for even-Z, odd-N decays; 4–5 MeV for the odd-Z, even-N decays; and 7–8 MeV for the odd-Z, odd-N decays. The decreasing strength to higher excitation energies in the daughters contradicts the predictions of the Gross Theory of Betamore » Decay. The integrated beta strengths are instead found to be consistent with shell model predictions where the single-particle beta strengths are divided amoung many low-lying levels. The experimental beta strengths determined here have been used calculate the half-lives of 143 neutron deficient nuclei with Z=51–64 to a precision of 20% with respect to the measured values.« less

  18. Failure of the gross theory of beta decay in neutron deficient nuclei

    SciTech Connect

    Firestone, R. B.; Schwengner, R.; Zuber, K.

    2015-05-28

    The neutron deficient isotopes 117-121Xe, 117-124Cs, and 122-124Ba were produced by a beam of 28Si from the LBNL SuperHILAC on a target of natMo. The isotopes were mass separated and their beta decay schemes were measured with a Total Absorption Spectrometer (TAS). The beta strengths derived from these data decreased dramatically to levels above ≈1 MeV for the even-even decays; 3–4 MeV for even-Z, odd-N decays; 4–5 MeV for the odd-Z, even-N decays; and 7–8 MeV for the odd-Z, odd-N decays. The decreasing strength to higher excitation energies in the daughters contradicts the predictions of the Gross Theory of Beta Decay. The integrated beta strengths are instead found to be consistent with shell model predictions where the single-particle beta strengths are divided amoung many low-lying levels. The experimental beta strengths determined here have been used calculate the half-lives of 143 neutron deficient nuclei with Z=51–64 to a precision of 20% with respect to the measured values.

  19. Forecasting sales of new vehicle with limited data using Bass diffusion model and Grey theory

    NASA Astrophysics Data System (ADS)

    Abu, Noratikah; Ismail, Zuhaimy

    2015-02-01

    New product forecasting is a process that determines a reasonable estimate of sales attainable under a given set of conditions. There are several new products forecasting method in practices and Bass Diffusion Model (BDM) is one of the most common new product diffusion model used in many industries to forecast new product and technology. Hence, this paper proposed a combining BDM with Grey theory to forecast sales of new vehicle in Malaysia that certainly have limited data to build a model on. The aims of this paper is to examine the accuracy of different new product forecasting models and thus identify which is the best among the basic BDM and combining BDM with Grey theory. The results show that combining BDM with Grey theory performs better than the basic BDM based on in-sample and out-sample mean absolute percentage error (MAPE). Results also reveals combining model forecast more effectively and accurately even with insufficient previous data on the new vehicle in Malaysia.

  20. Testing universal relations of neutron stars with a nonlinear matter-gravity coupling theory

    SciTech Connect

    Sham, Y.-H.; Lin, L.-M.; Leung, P. T. E-mail: lmlin@phy.cuhk.edu.hk

    2014-02-01

    Due to our ignorance of the equation of state (EOS) beyond nuclear density, there is still no unique theoretical model for neutron stars (NSs). It is therefore surprising that universal EOS-independent relations connecting different physical quantities of NSs can exist. Lau et al. found that the frequency of the f-mode oscillation, the mass, and the moment of inertia are connected by universal relations. More recently, Yagi and Yunes discovered the I-Love-Q universal relations among the mass, the moment of inertia, the Love number, and the quadrupole moment. In this paper, we study these universal relations in the Eddington-inspired Born-Infeld (EiBI) gravity. This theory differs from general relativity (GR) significantly only at high densities due to the nonlinear coupling between matter and gravity. It thus provides us an ideal case to test how robust the universal relations of NSs are with respect to the change of the gravity theory. Due to the apparent EOS formulation of EiBI gravity developed recently by Delsate and Steinhoff, we are able to study the universal relations in EiBI gravity using the same techniques as those in GR. We find that the universal relations in EiBI gravity are essentially the same as those in GR. Our work shows that, within the currently viable coupling constant, there exists at least one modified gravity theory that is indistinguishable from GR in view of the unexpected universal relations.

  1. Density-functional theory for resonantly interacting fermions with effective range and neutron matter

    NASA Astrophysics Data System (ADS)

    Lacroix, Denis

    2016-10-01

    A density-functional theory is proposed for strongly interacting fermions with arbitrary large negative scattering length. The functional has only two parameters that are directly fixed to reproduce the universal properties of unitary gas: the so-called Bertsch parameter ξ0 and a parameter ηe related to the possible influence of the effective range re at infinite scattering length a . Using most recent quantum Monte Carlo (QMC) estimates of these two parameters, it is shown that the functional properly reproduces the experimental measurements of interacting Fermi systems not only at unitarity but also away from this limit over a wide range of (akF) -1 values. The functional is applied to obtain an expression of Tan's contact parameter including the effect of re. Application is finally made to neutron matter. It is shown that most recent QMC results are well reproduced.

  2. Heavy-baryon chiral perturbation theory approach to thermal neutron capture on {sup 3}He

    SciTech Connect

    Lazauskas, Rimantas; Park, Tae-Sun

    2011-03-15

    The cross section for radiative thermal neutron capture on {sup 3}He ({sup 3}He+n{yields}{sup 4}He+{gamma}; known as the hen reaction) is calculated based on heavy-baryon chiral perturbation theory. The relevant M1 operators are derived up to next-to-next-to-next-to-leading order (N{sup 3}LO). The initial and final nuclear wave functions are obtained from the rigorous Faddeev-Yakubovski equations for five sets of realistic nuclear interactions. Up to N{sup 3}LO, the M1 operators contain two low-energy constants, which appear as the coefficients of nonderivative two-nucleon contact terms. After determining these two constants using the experimental values of the magnetic moments of the triton and {sup 3}He, we carry out a parameter-free calculation of the hen cross section. The results are in good agreement with the data.

  3. Acid diffusion, standing waves, and information theory: a molecular-scale model of chemically amplified resist

    NASA Astrophysics Data System (ADS)

    Trefonas, Peter, III; Allen, Mary T.

    1992-06-01

    Shannon's information theory is adapted to analyze the photolithographic process, defining the mask pattern as the prior state. Definitions and constraints to the general theory are developed so that the information content at various stages of the lithographic process can be described. Its application is illustrated by exploring the information content within projected aerial images and resultant latent images. Next, a 3-dimensional molecular scale model of exposure, acid diffusion, and catalytic crosslinking in acid-hardened resists (AHR) is presented. In this model, initial positions of photogenerated acids are determined by probability functions generated from the aerial images and the local light intensity in the film. In order to simulate post-exposure baking processes, acids are diffused in a random walk manner, for which the catalytic chain length and the average distance between crosslinks can be set. Crosslink locations are defined in terms of the topologically minimized number required to link different chains. The size and location of polymer chains involved in a larger scale crosslinked network is established and related to polymer solubility. In this manner, the nature of the crosslinked latent image can be established. Good correlation with experimental data is found for the calculated percent insolubilization as a function of dose when the rms acid diffusion length is about 500 angstroms. Information analysis is applied in detail to the specific example of AHR chemistry. The information contained within the 3-D crosslinked latent image is explored as a function of exposure dose, catalytic chain length, average distance between crosslinks. Eopt (the exposure dose which optimizes the information contained within the latent image) was found to vary with catalytic chain length in a manner similar to that observed experimentally in a plot of E90 versus post-exposure bake time. Surprisingly, the information content of the crosslinked latent image remains

  4. A Unified Theory of Soret Diffusion and Isotopic Fractionation of Elements in Silicate Melts

    NASA Astrophysics Data System (ADS)

    Wilkins, G. A.; Dominguez, G.; Thiemens, M. H.

    2010-12-01

    The basic mechanisms that underlie the chemical and isotopic fractionation that results from diffusion in natural systems is poorly understood at a theoretical level. For example chemical diffusion, which is the flux of matter associated with the presence of concentration gradients (Fick’s Law), is generally treated as a distinct process from the flux of matter associated with the presence of thermal gradients (Soret Effect). The recent discovery that thermal gradients induce isotopic gradients of trace elements such as Mg, Ca, and Fe is a challenge to our understanding of chemical and isotopic diffusion in natural systems(1-3). Here we describe how transition state theory (TST) and a generalized diffusion model can be used to simultaneously understand the chemical and isotopic fractionation that has been observed in silicate melts subjected to high-temperature gradients(4). We find that this model self-consistently explains the chemical and isotopic fractionations of Mg, Ca, and Fe as reported by Richter et al. (2008, 2009). An appealing aspect of this model is that it allows us to predict isotopic fractionations for other cations such as Li and U (See Table 1). *electronic energy barrier was scaled by factor of Z/2, where Z is the valence charge of the diffusing species. Ionic radii was assumed to be constant for all species. # measured values sensitive to both valence states. Ω are reported as per mil fractionation per a.m.u. difference in the isotopic masses per 100 °C following the notation of Richter et al. (2009).Table 1 1. F. M. Richter, E. B. Watson, R. A. Mendybaev, F.-Z. Teng, P. E. Janney, Geochimica et Cosmochimica Acta 72, 206 (January 1, 2008).2. F. M. Richter et al., Geochimica et Cosmochimica Acta 73, 4250 (July 1, 2009).3. F. Huang et al., Nature 464, 396 (2010).4. G. Dominguez, G. Wilkins, M. Thiemens, under Review. (2010).

  5. Best practices: implementation of a glucose screening program based on diffusion of innovation theory methods.

    PubMed

    Nicol, Ginger E; Morrato, Elaine H; Johnson, Mark C; Campagna, Elizabeth; Yingling, Michael D; Pham, Victor; Newcomer, John W

    2011-01-01

    There is public health interest in the identification and treatment of modifiable cardiometabolic risk factors among patients treated with antipsychotic medications. However, best-practice screening recommendations endorsed by multiple medical organizations have not translated into real-world clinical practice. Quality improvement strategies may help to address the gap between policy and implementation. This column describes the successful implementation of a best-practice glucose screening program in a large network of community mental health centers that was based on Six Sigma and diffusion of innovation theory.

  6. Thermally activated post-glitch response of the neutron star inner crust and core. I. Theory

    SciTech Connect

    Link, Bennett

    2014-07-10

    Pinning of superfluid vortices is predicted to prevail throughout much of a neutron star. Based on the idea of Alpar et al., I develop a description of the coupling between the solid and liquid components of a neutron star through thermally activated vortex slippage, and calculate the response to a spin glitch. The treatment begins with a derivation of the vortex velocity from the vorticity equations of motion. The activation energy for vortex slippage is obtained from a detailed study of the mechanics and energetics of vortex motion. I show that the 'linear creep' regime introduced by Alpar et al. and invoked in fits to post-glitch response is not realized for physically reasonable parameters, a conclusion that strongly constrains the physics of a post-glitch response through thermal activation. Moreover, a regime of 'superweak pinning', crucial to the theory of Alpar et al. and its extensions, is probably precluded by thermal fluctuations. The theory given here has a robust conclusion that can be tested by observations: for a glitch in the spin rate of magnitude Δν, pinning introduces a delay in the post-glitch response time. The delay time is t{sub d} = 7(t{sub sd}/10{sup 4} yr)((Δν/ν)/10{sup –6}) d, where t{sub sd} is the spin-down age; t{sub d} is typically weeks for the Vela pulsar and months in older pulsars, and is independent of the details of vortex pinning. Post-glitch response through thermal activation cannot occur more quickly than this timescale. Quicker components of post-glitch response, as have been observed in some pulsars, notably, the Vela pulsar, cannot be due to thermally activated vortex motion but must represent a different process, such as drag on vortices in regions where there is no pinning. I also derive the mutual friction force for a pinned superfluid at finite temperature for use in other studies of neutron star hydrodynamics.

  7. User`s manual for GILDA: An infinite lattice diffusion theory calculation

    SciTech Connect

    Le, T.T.

    1991-11-01

    GILDA is a static two-dimensional diffusion theory code that performs either buckling (B{sup 2}) or k-effective (k{sub eff}) calculations for an infinite hexagonal lattice which is constructed by repeating identical seven-cell zones (one cell is one or seven identical homogenized hexes). GILDA was written by J. W. Stewart in 1973. This user`s manual is intended to provide all of the information necessary to set up and execute a GILDA calculation and to interpret the output results. It is assumed that the user is familiar with the computer (VAX/VMS or IBM/MVS) and the JOSHUA system database on which the code is implemented. Users who are not familiar with the JOSHUA database are advised to consult additional references to understand the structure of JOSHUA records and data sets before turning to section 4 of this manual. Sections 2 and 3 of this manual serve as a theory document in which the basic diffusion theory and the numerical approximations behind the code are described. Section 4 describes the functions of the program`s subroutines. Section 5 describes the input data and tutors the user how to set up a problem. Section 6 describes the output results and the error messages which may be encountered during execution. Users who only wish to learn how to run the code without understanding the theory can start from section 4 and use sections 2 and 3 as references. Finally, the VAX/VMS and the IBM execution command files together with sample input records are provided in the appendices at the end of this manual.

  8. Benchmarking report for WIGGLE: A one-dimensional transient diffusion theory code

    SciTech Connect

    Pevey, R.E.

    1990-11-01

    WIGGLE is a static/transient one-dimensional diffusion theory calculation written to estimate the axial power profile while safety rods are falling during a scram. The code is used in the LOCA Limits Analysis Package (LLAP), a part of the SRS system for calculating thermal-hydraulic limits. Since WIGGLE was designed to be implemented through LLAP and not as a stand-alone code, it consists entirely of subroutines; the problem data must be passed to it from a driver routine. This project concerned the verification of WIGGLE, which limited it to the determination that WIGGLE is correctly implementing the transient 1D diffusion equation. The approach was to compare the results of the code with three analytic solutions: a static homogeneous calculation of the pre-accident power profile (without end-fittings); a static heterogeneous calculation of the pre-accident power profile (includes end-fittings); and a transient calculation designed to test the time-dependent calculational ability. The results of all three calculations were essentially identical to the analytical solutions, thus giving us confidence that WIGGLE is correctly solving the one-dimensional time-dependent diffusion equation.

  9. Development of the new approach to the diffusion-limited reaction rate theory

    SciTech Connect

    Veshchunov, M. S.

    2012-04-15

    The new approach to the diffusion-limited reaction rate theory, recently proposed by the author, is further developed on the base of a similar approach to Brownian coagulation. The traditional diffusion approach to calculation of the reaction rate is critically analyzed. In particular, it is shown that the traditional approach is applicable only in the special case of reactions with a large reaction radius and the mean inter-particle distances, and become inappropriate in calculating the reaction rate in the case of a relatively small reaction radius. In the latter case, most important for chemical reactions, particle collisions occur not in the diffusion regime but mainly in the kinetic regime characterized by homogeneous (random) spatial distribution of particles on the length scale of the mean inter-particle distance. The calculated reaction rate for a small reaction radius in three dimensions formally (and fortuitously) coincides with the expression derived in the traditional approach for reactions with a large reaction radius, but notably deviates at large times from the traditional result in the planar two-dimensional geometry. In application to reactions on discrete lattice sites, new relations for the reaction rate constants are derived for both three-dimensional and two-dimensional lattices.

  10. Theory of spin relaxation by translational diffusion in two-dimensional systems

    NASA Astrophysics Data System (ADS)

    Korb, J.-P.; Winterhalter, M.; McConnell, H. M.

    1984-02-01

    Spin relaxation rates T-11 and T-12 are calculated for nuclear (or electron) spins diffusing on finite two-dimensional, planar, or spherical surfaces. The spin relaxation is assumed to be due to modulation of the intermolecular dipole-dipole interactions. It is shown that the mathematical divergences encountered in a number of previous theoretical treatments of this problem for infinite planar surfaces have no physical significance; these divergences are avoided by limiting the calculations to two-dimensional systems that are finite, but that are otherwise of arbitrarily large size. The theoretical relaxation rates T-11 and T-12 for finite, planar two-dimensional systems are found to have a number of unique properties that should facilitate the interpretation of magnetic resonance spectra of molecules physically adsorbed on solid surfaces. For example, the reduction in dimensionality of rapid diffusive motion yields relaxation rates typical of slow motion in three-dimensional systems. Under certain conditions the relaxation rate T-11 is strongly dependent on the size of the two-dimensional surface on which atoms or molecules diffuse. Moreover the shape of the surface (planar or spherical), which is of particular importance in the description of the two-dimensional dynamics, can profoundly alter the frequency and temperature dependences of the spin-relaxation rates. The theory appears to be directly applicable to recent experiments by J. Tabony [Prog. Nucl. Magn. Reson. Spectrosc. 14, 1 (1980)].

  11. Automated spectral zones selection methodology for diffusion theory data preparation for pebble bed reactor analysis

    NASA Astrophysics Data System (ADS)

    Mphahlele, Ramatsemela

    A methodology is developed for the determination of the optimum spectral zones in Pebble Bed Reactors (PBR). In this work a spectral zone is defined as a zone made up of a number of nodes whose characteristics are collectively similar and that are assigned the same few-group diffusion constants. In other words the spectral zones are the regions over which the few-group diffusion parameters are generated. The identification of spectral boundaries is treated as an optimization problem. It is solved by systematically and simultaneously repositioning all zone boundaries to achieve the global minimum error between the reference transport solution (MCNP) and the diffusion code solution (NEM). The objective function for the optimization algorithm is the total reaction rate error, which is defined as the sum of the leakage, absorption and fission reaction rates error in each zone. An iterative determination of group-dependent bucklings is incorporated into the methodology to properly account for spectral effects of neighboring zones. A preferred energy group structure has also been chosen. This optimization approach with the reference transport solution has proved to be accurate and consistent, however the computational effort required to complete the optimization process is significant. Thus a more practical methodology is also developed for the determination of the spectral zones in PBRs. The reactor physics characteristics of the spectral zones have been studied to understand the nature of the spectral zone boundaries. The practical tool involves the use of spectral indices based on few-group diffusion theory whole core calculations. With this methodology, there is no need to first have a reference transport solution. It is shown that the diffusion-theory coarse group fluxes and the effective multiplication factor computed using zones based on the practical index agrees within a narrow tolerance with those of the reference approach. Therefore the "practical" index

  12. Dynamical scalarization of neutron stars in scalar-tensor gravity theories

    NASA Astrophysics Data System (ADS)

    Palenzuela, Carlos; Barausse, Enrico; Ponce, Marcelo; Lehner, Luis

    2014-02-01

    We present a framework to study generic neutron-star binaries in scalar-tensor theories of gravity. Our formalism achieves this goal by suitably interfacing a post-Newtonian orbital evolution (described by a set of ordinary differential equations) with a set of nonlinear algebraic equations, which provide a description of the scalar charge of each binary's component along the evolution in terms of isolated-star data. We validate this semianalytical procedure by comparing its results to those of fully general-relativistic simulations, and use it to investigate the behavior of binary systems in large portions of the parameter space of scalar-tensor theories. This allows us to shed further light on the phenomena of "dynamical scalarization," which we uncovered in [E. Barausse et al., Phys. Rev. D 87, 081506(R) (2013)] and which takes place in tight binaries, even for stars that have exactly zero scalar charge in isolation. We also employ our formalism to study representative binary systems, obtain their gravitational-wave signals and discuss the extent to which deviations from general relativity can be detected. The insights gained by this framework allow us to additionally show that eccentric binaries can undergo scalarization/descalarization phenomena.

  13. On neutron stars in f(R) theories: Small radii, large masses and large energy emitted in a merger

    NASA Astrophysics Data System (ADS)

    Aparicio Resco, Miguel; de la Cruz-Dombriz, Álvaro; Llanes Estrada, Felipe J.; Zapatero Castrillo, Víctor

    2016-09-01

    In the context of f(R) gravity theories, we show that the apparent mass of a neutron star as seen from an observer at infinity is numerically calculable but requires careful matching, first at the star's edge, between interior and exterior solutions, none of them being totally Schwarzschild-like but presenting instead small oscillations of the curvature scalar R; and second at large radii, where the Newtonian potential is used to identify the mass of the neutron star. We find that for the same equation of state, this mass definition is always larger than its general relativistic counterpart. We exemplify this with quadratic R2 and Hu-Sawicki-like modifications of the standard General Relativity action. Therefore, the finding of two-solar mass neutron stars basically imposes no constraint on stable f(R) theories. However, star radii are in general smaller than in General Relativity, which can give an observational handle on such classes of models at the astrophysical level. Both larger masses and smaller matter radii are due to much of the apparent effective energy residing in the outer metric for scalar-tensor theories. Finally, because the f(R) neutron star masses can be much larger than General Relativity counterparts, the total energy available for radiating gravitational waves could be of order several solar masses, and thus a merger of these stars constitutes an interesting wave source.

  14. Spin-density correlations in the dynamic spin-fluctuation theory: Comparison with polarized neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Melnikov, N. B.; Reser, B. I.; Paradezhenko, G. V.

    2016-08-01

    To study the spin-density correlations in the ferromagnetic metals above the Curie temperature, we relate the spin correlator and neutron scattering cross-section. In the dynamic spin-fluctuation theory, we obtain explicit expressions for the effective and local magnetic moments and spatial spin-density correlator. Our theoretical results are demonstrated by the example of bcc Fe. The effective and local moments are found in good agreement with results of polarized neutron scattering experiment over a wide temperature range. The calculated short-range order is small (up to 4 Å) and slowly decreases with temperature.

  15. U{sub N} Method For The Critical Slab Problem In One-Speed Neutron Transport Theory

    SciTech Connect

    Oeztuerk, Hakan; Guengoer, Sueleyman

    2008-11-11

    The Chebyshev polynomial approximation (U{sub N} method) is used to solve the critical slab problem in one-speed neutron transport theory using Marshak boundary condition. The isotropic scattering kernel with the combination of forward and backward scattering is chosen for the neutrons in a uniform finite slab. Numerical results obtained by the U{sub N} method are presented in the tables together with the results obtained by the well-known P{sub N} method for comparison. It is shown that the method converges rapidly with its easily executable equations.

  16. Radiation-dominated boundary layer between an accretion disc and the surface of a neutron star: theory and observations

    NASA Astrophysics Data System (ADS)

    Gilfanov, M. R.; Sunyaev, R. A.

    2014-04-01

    Observations of low-mass X-ray binaries in our Galaxy and external galaxies have drawn attention to the accretion disc boundary layer where the accreting matter slows down from its Keplerian orbital velocity of about half of the speed of light to a neutron star's rotational velocity and in which it releases about half of its gravitational energy. Correspondingly, a hot spectral component appears in the emission of accreting neutron stars, which is absent in accreting black holes. We review different approaches to the problem of the radiation-dominated boundary layer. In particular, we consider the theory of a levitating spreading layer, which assumes that the accreting matter slows down while spreading over the neutron star surface.

  17. Mixed variational potentials and inherent symmetries of the Cahn-Hilliard theory of diffusive phase separation.

    PubMed

    Miehe, C; Hildebrand, F E; Böger, L

    2014-04-01

    This work shows that the Cahn-Hilliard theory of diffusive phase separation is related to an intrinsic mixed variational principle that determines the rate of concentration and the chemical potential. The principle characterizes a canonically compact model structure, where the two balances involved for the species content and microforce appear as the Euler equations of a variational statement. The existence of the variational principle underlines an inherent symmetry in the two-field representation of the Cahn-Hilliard theory. This can be exploited in the numerical implementation by the construction of time- and space-discrete incremental potentials, which fully determine the update problems of typical time-stepping procedures. The mixed variational principles provide the most fundamental approach to the finite-element solution of the Cahn-Hilliard equation based on low-order basis functions, leading to monolithic symmetric algebraic systems of iterative update procedures based on a linearization of the nonlinear problem. They induce in a natural format the choice of symmetric solvers for Newton-type iterative updates, providing a speed-up and reduction of data storage when compared with non-symmetric implementations. In this sense, the potentials developed are believed to be fundamental ingredients to a deeper understanding of the Cahn-Hilliard theory. PMID:24711722

  18. Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions.

    PubMed

    Hoyer, Chad E; Gagliardi, Laura; Truhlar, Donald G

    2015-11-01

    Time-dependent Kohn-Sham density functional theory (TD-KS-DFT) is useful for calculating electronic excitation spectra of large systems, but the low-energy spectra are often complicated by artificially lowered higher-energy states. This affects even the lowest energy excited states. Here, by calculating the lowest energy spin-conserving excited state for atoms from H to K and for formaldehyde, we show that this problem does not occur in multiconfiguration pair-density functional theory (MC-PDFT). We use the tPBE on-top density functional, which is a translation of the PBE exchange-correlation functional. We compare to a robust multireference method, namely, complete active space second-order perturbation theory (CASPT2), and to TD-KS-DFT with two popular exchange-correlation functionals, PBE and PBE0. We find for atoms that the mean unsigned error (MUE) of MC-PDFT with the tPBE functional improves from 0.42 to 0.40 eV with a double set of diffuse functions, whereas the MUEs for PBE and PBE0 drastically increase from 0.74 to 2.49 eV and from 0.45 to 1.47 eV, respectively.

  19. Mixed variational potentials and inherent symmetries of the Cahn-Hilliard theory of diffusive phase separation.

    PubMed

    Miehe, C; Hildebrand, F E; Böger, L

    2014-04-01

    This work shows that the Cahn-Hilliard theory of diffusive phase separation is related to an intrinsic mixed variational principle that determines the rate of concentration and the chemical potential. The principle characterizes a canonically compact model structure, where the two balances involved for the species content and microforce appear as the Euler equations of a variational statement. The existence of the variational principle underlines an inherent symmetry in the two-field representation of the Cahn-Hilliard theory. This can be exploited in the numerical implementation by the construction of time- and space-discrete incremental potentials, which fully determine the update problems of typical time-stepping procedures. The mixed variational principles provide the most fundamental approach to the finite-element solution of the Cahn-Hilliard equation based on low-order basis functions, leading to monolithic symmetric algebraic systems of iterative update procedures based on a linearization of the nonlinear problem. They induce in a natural format the choice of symmetric solvers for Newton-type iterative updates, providing a speed-up and reduction of data storage when compared with non-symmetric implementations. In this sense, the potentials developed are believed to be fundamental ingredients to a deeper understanding of the Cahn-Hilliard theory.

  20. Mixed variational potentials and inherent symmetries of the Cahn–Hilliard theory of diffusive phase separation

    PubMed Central

    Miehe, C.; Hildebrand, F. E.; Böger, L.

    2014-01-01

    This work shows that the Cahn–Hilliard theory of diffusive phase separation is related to an intrinsic mixed variational principle that determines the rate of concentration and the chemical potential. The principle characterizes a canonically compact model structure, where the two balances involved for the species content and microforce appear as the Euler equations of a variational statement. The existence of the variational principle underlines an inherent symmetry in the two-field representation of the Cahn–Hilliard theory. This can be exploited in the numerical implementation by the construction of time- and space-discrete incremental potentials, which fully determine the update problems of typical time-stepping procedures. The mixed variational principles provide the most fundamental approach to the finite-element solution of the Cahn–Hilliard equation based on low-order basis functions, leading to monolithic symmetric algebraic systems of iterative update procedures based on a linearization of the nonlinear problem. They induce in a natural format the choice of symmetric solvers for Newton-type iterative updates, providing a speed-up and reduction of data storage when compared with non-symmetric implementations. In this sense, the potentials developed are believed to be fundamental ingredients to a deeper understanding of the Cahn–Hilliard theory. PMID:24711722

  1. Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions.

    PubMed

    Hoyer, Chad E; Gagliardi, Laura; Truhlar, Donald G

    2015-11-01

    Time-dependent Kohn-Sham density functional theory (TD-KS-DFT) is useful for calculating electronic excitation spectra of large systems, but the low-energy spectra are often complicated by artificially lowered higher-energy states. This affects even the lowest energy excited states. Here, by calculating the lowest energy spin-conserving excited state for atoms from H to K and for formaldehyde, we show that this problem does not occur in multiconfiguration pair-density functional theory (MC-PDFT). We use the tPBE on-top density functional, which is a translation of the PBE exchange-correlation functional. We compare to a robust multireference method, namely, complete active space second-order perturbation theory (CASPT2), and to TD-KS-DFT with two popular exchange-correlation functionals, PBE and PBE0. We find for atoms that the mean unsigned error (MUE) of MC-PDFT with the tPBE functional improves from 0.42 to 0.40 eV with a double set of diffuse functions, whereas the MUEs for PBE and PBE0 drastically increase from 0.74 to 2.49 eV and from 0.45 to 1.47 eV, respectively. PMID:26722961

  2. Diffusion and adsorption of methane confined in nanoporous carbon aerogel: a combined quasi-elastic and small-angle neutron scattering study

    SciTech Connect

    Mavila Chathoth, Suresh; Mamontov, Eugene; Melnichenko, Yuri B; Zamponi, Michaela M

    2010-01-01

    The diffusion of methane confined in nano-porous carbon aerogel with the average pore size 48 {angstrom} and porosity 60% was investigated as a function of pressure at T = 298 K using quasi-elastic neutron scattering (QENS). The diffusivity of methane shows a clear effect of confinement: it is about two orders of magnitude lower than in bulk at the same thermodynamic conditions and is close to the diffusivity of liquid methane at 100 K (i.e. {approx} 90 K below the liquid-gas critical temperature T{sub C} {approx} 191 K). The diffusion coefficient (D) of methane initially increases with pressure by a factor of {approx}2.5 from 3.47 {+-} 0.41 x 10{sup -10} m{sup 2} s{sup -1} at 0.482 MPa to D = 8.55 {+-} 0.33 x 10{sup -10} m{sup 2} s{sup -1} at 2.75 MPa and starts to decrease at higher pressures. An explanation of the observed non-monotonic behavior of the diffusivity in the confined fluid is based on the results of small-angle neutron scattering experiments of the phase behavior of methane in a similar carbon aerogel sample. The initial increase of the diffusion coefficient with pressure is explained as due to progressive filling of bigger pores in which molecular mobility in the internal pore volume is less affected by the sluggish liquid-like molecular mobility in the adsorbed phase. Subsequent decrease of D, is associated with the effect of intermolecular collisions, which result in a lower total molecular mobility with pressure, as in the bulk state. The results are compared with the available QENS data on the methane diffusivity in zeolites, metal organic frameworks, and porous silica as well as with the molecular dynamics simulations of methane in nano-porous carbons and silica zeolites.

  3. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

    NASA Astrophysics Data System (ADS)

    Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

    2014-03-01

    Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

  4. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

    SciTech Connect

    Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

    2014-03-14

    Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

  5. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets.

    PubMed

    Hsu, Po Jen; Lai, S K; Rapallo, Arnaldo

    2014-03-14

    Improved basis sets for the study of polymer dynamics by means of the diffusion theory, and tests on a melt of cis-1,4-polyisoprene decamers, and a toluene solution of a 71-mer syndiotactic trans-1,2-polypentadiene were presented recently [R. Gaspari and A. Rapallo, J. Chem. Phys. 128, 244109 (2008)]. The proposed hybrid basis approach (HBA) combined two techniques, the long time sorting procedure and the maximum correlation approximation. The HBA takes advantage of the strength of these two techniques, and its basis sets proved to be very effective and computationally convenient in describing both local and global dynamics in cases of flexible synthetic polymers where the repeating unit is a unique type of monomer. The question then arises if the same efficacy continues when the HBA is applied to polymers of different monomers, variable local stiffness along the chain and with longer persistence length, which have different local and global dynamical properties against the above-mentioned systems. Important examples of this kind of molecular chains are the proteins, so that a fragment of the protein transthyretin is chosen as the system of the present study. This peptide corresponds to a sequence that is structured in β-sheets of the protein and is located on the surface of the channel with thyroxin. The protein transthyretin forms amyloid fibrils in vivo, whereas the peptide fragment has been shown [C. P. Jaroniec, C. E. MacPhee, N. S. Astrof, C. M. Dobson, and R. G. Griffin, Proc. Natl. Acad. Sci. U.S.A. 99, 16748 (2002)] to form amyloid fibrils in vitro in extended β-sheet conformations. For these reasons the latter is given considerable attention in the literature and studied also as an isolated fragment in water solution where both experimental and theoretical efforts have indicated the propensity of the system to form β turns or α helices, but is otherwise predominantly unstructured. Differing from previous computational studies that employed implicit

  6. Factors influencing pharmacists’ adoption of prescribing: qualitative application of the diffusion of innovations theory

    PubMed Central

    2013-01-01

    Background In 2007, Alberta became the first Canadian jurisdiction to grant pharmacists a wide range of prescribing privileges. Our objective was to understand what factors influence pharmacists’ adoption of prescribing using a model for the Diffusion of Innovations in healthcare services. Methods Pharmacists participated in semi-structured telephone interviews to discuss their prescribing practices and explore the facilitators and barriers to implementation. Pharmacists working in community, hospital, PCN, or other settings were selected using a mix of random and purposive sampling. Two investigators independently analyzed each transcript using an Interpretive Description approach to identify themes. Analyses were informed by a model explaining the Diffusion of Innovations in health service organizations. Results Thirty-eight participants were interviewed. Prescribing behaviours varied from non-adoption through to product, disease, and patient focused use of prescribing. Pharmacists’ adoption of prescribing was dependent on the innovation itself, adopter, system readiness, and communication and influence. Adopting pharmacists viewed prescribing as a legitimization of previous practice and advantageous to instrumental daily tasks. The complexity of knowledge required for prescribing increased respectively in product, disease and patient focused prescribing scenarios. Individual adopters had higher levels of self-efficacy toward prescribing skills. At a system level, pharmacists who were in practice settings that were patient focused were more likely to adopt advanced prescribing practices, over those in product-focused settings. All pharmacists stated that physician relationships impacted their prescribing behaviours and individual pharmacists’ decisions to apply for independent prescribing privileges. Conclusions Diffusion of Innovations theory was helpful in understanding the multifaceted nature of pharmacists’ adoption of prescribing. The characteristics

  7. Boundary layer theory for convection-diffusion equations in a circle

    NASA Astrophysics Data System (ADS)

    Jung, Ch-Y.; Temam, R.

    2014-06-01

    This paper is devoted to boundary layer theory for singularly perturbed convection-diffusion equations in the unit circle. Two characteristic points appear, (+/- 1,0), in the context of the equations considered here, and singularities may occur at these points depending on the behaviour there of a given function f, namely, the flatness or compatibility of f at these points as explained below. Two previous articles addressed two particular cases: \\lbrack24\\rbrack dealt with the case where the function f is sufficiently flat at the characteristic points, the so-called compatible case; \\lbrack25\\rbrack dealt with a generic non-compatible case ( f polynomial). This survey article recalls the essential results from those papers, and continues with the general case ( f non-flat and non-polynomial) for which new specific boundary layer functions of parabolic type are introduced in addition. Bibliography: 49 titles.

  8. Multifractality and quantum diffusion from self-consistent theory of localization

    SciTech Connect

    Suslov, I. M.

    2015-11-15

    Multifractal properties of wave functions in a disordered system can be derived from self-consistent theory of localization by Vollhardt and Wölfle. A diagrammatic interpretation of results allows to obtain all scaling relations used in numerical experiments. The arguments are given that the one-loop Wegner result for a space dimension d = 2 + ϵ is exact, so the multifractal spectrum is strictly parabolical. The σ-models are shown to be deficient at the four-loop level and the possible reasons of that are discussed. The extremely slow convergence to the thermodynamic limit is demonstrated. The open question on the relation between multifractality and a spatial dispersion of the diffusion coefficient D(ω, q) is resolved in the compromise manner due to ambiguity of the D(ω, q) definition. Comparison is made with the extensive numerical material.

  9. Model for incorporating fuel swelling and clad shrinkage effects in diffusion theory calculations (LWBR Development Program)

    SciTech Connect

    Schick, W.C. Jr.; Milani, S.; Duncombe, E.

    1980-03-01

    A model has been devised for incorporating into the thermal feedback procedure of the PDQ few-group diffusion theory computer program the explicit calculation of depletion and temperature dependent fuel-rod shrinkage and swelling at each mesh point. The model determines the effect on reactivity of the change in hydrogen concentration caused by the variation in coolant channel area as the rods contract and expand. The calculation of fuel temperature, and hence of Doppler-broadened cross sections, is improved by correcting the heat transfer coefficient of the fuel-clad gap for the effects of clad creep, fuel densification and swelling, and release of fission-product gases into the gap. An approximate calculation of clad stress is also included in the model.

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

    NASA Technical Reports Server (NTRS)

    Ramos, J. I.

    1987-01-01

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

  11. Microscopic Theory of Nanoparticle Diffusivity in Entangled and Unentangled Polymer Melts

    NASA Astrophysics Data System (ADS)

    Yamamoto, Umi; Schweizer, Kenneth

    2012-02-01

    We present a statistical dynamical theory at the level of forces for the violation of the Stokes-Einstein (SE) diffusion law of a spherical nanoparticle in entangled and unentangled polymer melts. Based on a combination of mode-coupling and polymer physics ideas, the non-hydrodynamic friction coefficient is related to microscopic structure and the length-scale-dependent polymer melt collective density fluctuation dynamics. When local packing correlations are neglected, analytic expressions are derived for the non-hydrodynamic diffusivity as a function of particle size, polymer radius-of-gyration, tube diameter, degree of entanglement and temperature; local packing effects are numerically investigated under athermal and attractive conditions. The conditions for the recovery of the SE law are qualitatively distinct for unentangled and entangled melts, and entanglement effects are the origin of large SE violations consistent with recent experiments. The influences of melt packing fraction and interfacial attraction strength are also qualitatively different depending on whether the polymers are entangled or not. The anomalous time-dependence of the nanoparticle mean square displacement is studied using a self-consistent Generalized Langevin Equation approach.

  12. Diffuse phase transition in ferroelectrics with mesoscopic heterogeneity: Mean-field theory

    SciTech Connect

    Li, S.; Eastman, J.A.; Newnham, R.E.; Cross, L.E.

    1997-05-01

    The diffuse phase transition in ferroelectrics with mesoscopic heterogeneity has been discussed within the context of a superparaelectric model by using the Ginzburg-Landau formalism. In the Curie region ferroelectrics with mesoscopic heterogeneity are treated as {open_quotes}superparaelectrics{close_quotes} consisting of a mass of polar clusters, each of which has Ising character. Based on the mean-field theory, the influence of the finite-size effects of polar clusters on their structural instability has been discussed by considering a coherent lattice coupling between two structurally different regions. In particular, we have analytically derived the explicit solutions of the distribution of local polarizations. In turn, the processes of polar nanophase precipitation and coarsening have been also discussed in conjunction with the local chemical or structural inhomogeneity. Moreover, we have also analyzed the relationship between the local polarization distribution and the static dielectric susceptibility in ferroelectrics with the nanometric scale heterogeneity. The width of the Curie region is dependent upon the distribution of the sum of localized correlation length, which reflects the size distribution of heterogeneity. The presented analysis reveals that the diffuse phase transition is closely associated with the existence of nanometric polar clusters and their physical size distribution. Intriguingly, our theoretical results bear a very close resemblance to most experimental observations. {copyright} {ital 1997} {ital The American Physical Society}

  13. Diffusion of Innovations Theory Applied to Global Tobacco Control Treaty Ratification

    PubMed Central

    Valente, Thomas W.; Dyal, Stephanie R.; Chu, Kar-Hai; Wipfli, Heather; Fujimoto, Kayo

    2015-01-01

    This study applies diffusion of innovations theory to understand network influences on country ratification of an international health treaty, the Framework Convention for Tobacco Control (FCTC). From 2003 to 2014 approximately 90% of United Nations member countries ratified the FCTC. We hypothesized that communication between tobacco control advocates on GLOBALink, a 7,000-member online communication forum in existence from 1992 to 2012, would be associated with the timing of treaty ratification. We further hypothesized dynamic network influences such that external influence decreased over time, internal influence increased over time, and the role of opinion leader countries varied over time. In addition we develop two concepts: Susceptibility and influence that uncover the micro-level dynamics of network influence. Statistical analyses lend support to the influence of co-subscriptions on GLOBALink providing a conduit for inter-country influences on treaty ratification and some support for the dynamic hypotheses. Analyses of susceptibility and infection indicated particularly influential countries. These results have implications for the study of policy diffusion as well as dynamic models of behavior change. PMID:26460508

  14. Canonical perturbation theory; stability and diffusion in Hamiltonian systems: applications in dynamical astronomy

    NASA Astrophysics Data System (ADS)

    Efthymiopoulos, C.

    We present some basic methods and techniques of canonical perturbation theory, as well as some of its applications in problems of stability and/or dif- fusion in dynamical astronomy. The methods presented are: i) the Birkhoff normal form, ii) the Kolmogorov normal form, iii) the resonant normal form, and iv) the hyperbolic normal form used in the computation of in- variant manifolds of unstable periodic orbits in the chaotic regime. For each method we give concrete examples presented in some detail in order to facilitate study. In particular, we discuss a step by step implementation of a so-called `book-keeping' algorithm by which all quantities (i.e. Hamil- tonian, generating functions etc.) can be split in groups of terms of similar order of smallness. We explain why the book-keeping schemes presently suggested are particularly suitable in computer-algebraic implementations of normal forms. Also, for each method we explain the pattern by which small divisors are accumulated in the series terms at successive normaliza- tion steps, outlining why such accumulation leads to a divergent normal- ization process in the case of the Birkhoff normal form (both non-resonant or resonant), while it leads to a convergent normalization process in the case of the Kolmogorov normal form or the hyperbolic normal form. After these formal aspects, we present applications of canonical perturbation the- ory in concrete Hamiltonian dynamical systems appearing in problems of dynamical astronomy. In particular, we explain how resonant normal form theory is connected to the phenomenon of Arnold diffusion, as well as to estimates of the diffusion rate in the action space in systems of three (or more) degrees of freedom. We discuss how is `book-keeping' implemented in paradigmatic cases, like the treatment of mean motion resonances in so- lar system dynamics, and the study of orbits in axisymmetric galaxies or in barred-spiral rotating galaxies. Finally, we give an example of implemen

  15. Theory of neutron scattering from thermally excited quasiparticles in superfluid 4He

    NASA Astrophysics Data System (ADS)

    Griffin, A.; Talbot, E.

    1981-11-01

    We present the first detailed theoretical study of the inelastic neutron scattering contribution Sth(Q-->,ω) from thermally excited quasiparticles in superfluid 4He, with emphasis on the low-Q collisionless limit. In the temperature region where rotons are the dominant excitation, our results for Sth(Q-->,ω) scale with Landau's normal fluid density. We argue that Sth(Q-->,ω) is the origin of the broad temperature-dependent continuum which Woods and Svensson (1978) have observed at temperatures above about 1.7 K. Our specific model calculations of Sth(Q-->,ω) are based on evaluating the regular part of the longitudinal momentum current-current correlation function within the Bogoliubov approximation, but the experimental quasiparticle (roton) spectrum is used in our numerical calculations. Our expression satisfies the normal fluid f-sum rule in the long-wavelength collisionless limit and is in essential agreement with the general picture suggested by Pines and Nozières in 1964. Our present theory involves several approximations which probably limit its validity to Q<~0.5 Å-1. Some generalizations to deal with the larger values of Q studied by Woods and Svensson are briefly discussed.

  16. Theory of simple biochemical ``shape recognition'' via diffusion from activator coated nanoshapes

    NASA Astrophysics Data System (ADS)

    Daniels, D. R.

    2008-09-01

    Inspired by recent experiments, we model the shape sensitivity, via a typical threshold initiation response, of an underlying complex biochemical reaction network to activator coated nanoshapes. Our theory re-emphasizes that shape effects can be vitally important for the onset of functional behavior in nanopatches and nanoparticles. For certain critical or particular shapes, activator coated nanoshapes do not evoke a threshold response in a complex biochemical network setting, while for different critical or specific shapes, the threshold response is rapidly achieved. The model thus provides a general theoretical understanding for how activator coated nanoshapes can enable a chemical system to perform simple "shape recognition," with an associated "all or nothing" response. The novel and interesting cases of the chemical response due to a nanoshape that shrinks with time is additionally considered, as well as activator coated nanospheres. Possible important applications of this work include the initiation of blood clotting by nanoshapes, nanoshape effects in nanocatalysis, physiological toxicity to nanoparticles, as well as nanoshapes in nanomedicine, drug delivery, and T cell immunological response. The aim of the theory presented here is that it inspires further experimentation on simple biochemical shape recognition via diffusion from activator coated nanoshapes.

  17. NESTLE: Few-group neutron diffusion equation solver utilizing the nodal expansion method for eigenvalue, adjoint, fixed-source steady-state and transient problems

    SciTech Connect

    Turinsky, P.J.; Al-Chalabi, R.M.K.; Engrand, P.; Sarsour, H.N.; Faure, F.X.; Guo, W.

    1994-06-01

    NESTLE is a FORTRAN77 code that solves the few-group neutron diffusion equation utilizing the Nodal Expansion Method (NEM). NESTLE can solve the eigenvalue (criticality); eigenvalue adjoint; external fixed-source steady-state; or external fixed-source. or eigenvalue initiated transient problems. The code name NESTLE originates from the multi-problem solution capability, abbreviating Nodal Eigenvalue, Steady-state, Transient, Le core Evaluator. The eigenvalue problem allows criticality searches to be completed, and the external fixed-source steady-state problem can search to achieve a specified power level. Transient problems model delayed neutrons via precursor groups. Several core properties can be input as time dependent. Two or four energy groups can be utilized, with all energy groups being thermal groups (i.e. upscatter exits) if desired. Core geometries modelled include Cartesian and Hexagonal. Three, two and one dimensional models can be utilized with various symmetries. The non-linear iterative strategy associated with the NEM method is employed. An advantage of the non-linear iterative strategy is that NSTLE can be utilized to solve either the nodal or Finite Difference Method representation of the few-group neutron diffusion equation.

  18. Electric-field influence on the neutron diffuse scattering near the ferroelectric transition of Sr0.61Ba0.39Nb2O6

    NASA Astrophysics Data System (ADS)

    Ondrejkovic, Petr; Kempa, Martin; Savinov, Maxim; Bednyakov, Petr; Kulda, Jiri; Bourges, Philippe; Dec, Jan; Hlinka, Jirka

    2016-08-01

    Uniaxial relaxor ferroelectric Sr0.61Ba0.39Nb2O6 single crystal has been investigated in the vicinity of its phase transition using neutron scattering and dielectric spectroscopy. A global-type thermal hysteresis is evidenced by both techniques in the ferroelectric phase and up to about 15 K above Tc. In addition, a part of the transverse neutron diffuse scattering in the 001 Brillouin zone, presumably related to static nanodomain structure, can be suppressed by prior poling the crystal in electric field of 3 kV/cm. The remaining part of the transverse neutron diffuse scattering and the real part of permittivity show a similar temperature dependence. The temperature position of the maximal scattering intensity Tmax depends significantly on the scattering wave vector. Tmax shifts monotonically to higher temperature with the increasing wave vector in all investigated cooling and heating regimes. It is concluded that the critical fluctuations have space correlations which depend on frequency and wave vector.

  19. Algorithm development and verification of UASCM for multi-dimension and multi-group neutron kinetics model

    SciTech Connect

    Si, S.

    2012-07-01

    The Universal Algorithm of Stiffness Confinement Method (UASCM) for neutron kinetics model of multi-dimensional and multi-group transport equations or diffusion equations has been developed. The numerical experiments based on transport theory code MGSNM and diffusion theory code MGNEM have demonstrated that the algorithm has sufficient accuracy and stability. (authors)

  20. A recommendation to use the diffusion of innovations theory to understand school nurses' role in HPV vaccine uptake.

    PubMed

    Rosen, Brittany; Goodson, Patricia

    Vaccinations represent one of the greatest public health achievements of the past century, but their success largely depends on populations' uptake. Seven years after its approval in 2006 for females, the HPV vaccination rates remain relatively low. Previous literature provides information about research examining U.S. physicians, pediatricians, and other healthcare providers' knowledge, attitudes, and professional practice toward the HPV vaccine. No research has yet investigated U.S. school nurses' role in educating the school community about the vaccine's benefits. Diffusion of Innovations theory is an appropriate perspective for examining school nurses as opinion leaders who can influence the uptake of the HPV vaccine for youth. This theory explains how innovations diffuse throughout a social system, and highlights the construct of opinion leadership. School nurses exhibit the characteristics of opinion leaders; therefore, Diffusion of Innovations can be a useful lens for assessing their role in efforts to promote HPV vaccination for youth. PMID:24366021

  1. Rethinking Diffusion Theory in an Applied Context: Role of Environmental Values in Adoption of Home Energy Conservation

    ERIC Educational Resources Information Center

    Priest, Susanna Hornig; Greenhalgh, Ted; Neill, Helen R.; Young, Gabriel Reuben

    2015-01-01

    Diffusion theory, developed and popularized within communication research by Everett Rogers, is a venerable approach with much to recommend it as a theoretical foundation for applied communication research. In developing an applied project for a home energy conservation (energy efficiency retrofit) program in the state of Nevada, we utilized key…

  2. Bridging the Research-to-Practice Gap in Autism Intervention: An Application of Diffusion of Innovation Theory

    ERIC Educational Resources Information Center

    Dingfelder, Hilary E.; Mandell, David S.

    2011-01-01

    There is growing evidence that efficacious interventions for autism are rarely adopted or successfully implemented in public mental health and education systems. We propose applying diffusion of innovation theory to further our understanding of why this is the case. We pose a practical set of questions that administrators face as they decide about…

  3. Adding Innovation Diffusion Theory to the Technology Acceptance Model: Supporting Employees' Intentions to Use E-Learning Systems

    ERIC Educational Resources Information Center

    Lee, Yi-Hsuan; Hsieh, Yi-Chuan; Hsu, Chia-Ning

    2011-01-01

    This study intends to investigate factors affecting business employees' behavioral intentions to use the e-learning system. Combining the innovation diffusion theory (IDT) with the technology acceptance model (TAM), the present study proposes an extended technology acceptance model. The proposed model was tested with data collected from 552…

  4. Reliability and Validity Study of the Mobile Learning Adoption Scale Developed Based on the Diffusion of Innovations Theory

    ERIC Educational Resources Information Center

    Celik, Ismail; Sahin, Ismail; Aydin, Mustafa

    2014-01-01

    In this study, a mobile learning adoption scale (MLAS) was developed on the basis of Rogers' (2003) Diffusion of Innovations Theory. The scale that was developed consists of four sections. These sections are as follows: Stages in the innovation-decision process, Types of m-learning decision, Innovativeness level and attributes of m-learning.…

  5. Reliability and Validity Study of the Mobile Learning Adoption Scale Developed Based on the Diffusion of Innovations Theory

    ERIC Educational Resources Information Center

    Celik, Ismail; Sahin, Ismail; Aydin, Mustafa

    2014-01-01

    In this study, a mobile learning adoption scale (MLAS) was developed on the basis of Rogers' (2003) Diffusion of Innovations Theory. The scale that was developed consists of four sections. These sections are as follows: Stages in the innovation-decision process, Types of m-learning decision, Innovativeness level and attributes of m-learning. There…

  6. Diffusion of Innovation Theory and Xbox Live: Examining Minority Gamers' Responses and Rate of Adoption to Changes in Xbox Live

    ERIC Educational Resources Information Center

    Gray, Kishonna L.

    2012-01-01

    This article examines the response of minority gamers as they adopt new innovations in Xbox Live. Using diffusion of innovation theory, specific attention is given to gamers' rate of adoption of the new Xbox Live environment, which was a recent update to the Xbox Live interface. By employing virtual ethnography, observations, and interviews reveal…

  7. Reassembling the Information Technology Innovation Process: An Actor Network Theory Method for Managing the Initiation, Production, and Diffusion of Innovations

    NASA Astrophysics Data System (ADS)

    Zendejas, Gerardo; Chiasson, Mike

    This paper will propose and explore a method to enhance focal actors' abilities to enroll and control the many social and technical components interacting during the initiation, production, and diffusion of innovations. The reassembling and stabilizing of such components is the challenging goal of the focal actors involved in these processes. To address this possibility, a healthcare project involving the initiation, production, and diffusion of an IT-based innovation will be influenced by the researcher, using concepts from actor network theory (ANT), within an action research methodology (ARM). The experiences using this method, and the nature of enrolment and translation during its use, will highlight if and how ANT can provide a problem-solving method to help assemble the social and technical actants involved in the diffusion of an innovation. Finally, the paper will discuss the challenges and benefits of implementing such methods to attain widespread diffusion.

  8. Nuclear charge and neutron radii and nuclear matter: Trend analysis in Skyrme density-functional-theory approach

    NASA Astrophysics Data System (ADS)

    Reinhard, P.-G.; Nazarewicz, W.

    2016-05-01

    Background: Radii of charge and neutron distributions are fundamental nuclear properties. They depend on both nuclear interaction parameters related to the equation of state of infinite nuclear matter and on quantal shell effects, which are strongly impacted by the presence of nuclear surface. Purpose: In this work, by studying the correlation of charge and neutron radii, and neutron skin, with nuclear matter parameters, we assess different mechanisms that drive nuclear sizes. Method: We apply nuclear density functional theory using a family of Skyrme functionals obtained by means of optimization protocols, which do not include any radius information. By performing the Monte Carlo sampling of reasonable functionals around the optimal parametrization, we scan all correlations between nuclear matter properties and observables characterizing charge and neutron distributions of spherical closed-shell nuclei 48Ca,208Pb, and 298Fl. Results: By considering the influence of various nuclear matter properties on charge and neutron radii in a multidimensional parameter space of Skyrme functionals, we demonstrate the existence of two strong relationships: (i) between the nuclear charge radii and the saturation density of symmetric nuclear matter ρ0, and (ii) between the neutron skins and the slope of the symmetry energy L . The impact of other nuclear matter properties on nuclear radii is weak or nonexistent. For functionals optimized to experimental binding energies only, proton and neutron radii are found to be weakly correlated due to canceling trends from different nuclear matter characteristics. Conclusion: The existence of only two strong relations connecting nuclear radii with nuclear matter properties has important consequences. First, by requiring that the nuclear functional reproduces the empirical saturation point of symmetric nuclear matter practically fixes the charge (or proton) radii, and vice versa. This explains the recent results of ab initio calculations

  9. The relative diffusive transport rate of SrI2 in water changes over the nanometer length scale as measured by coherent quasielastic neutron scattering.

    PubMed

    Rubinson, Kenneth A; Faraone, Antonio

    2016-05-14

    X-ray and neutron scattering have been used to provide insight into the structures of ionic solutions for over a century, but the probes have covered distances shorter than 8 Å. For the non-hydrolyzing salt SrI2 in aqueous solution, a locally ordered lattice of ions exists that scatters slow neutrons coherently down to at least 0.1 mol L(-1) concentration, where the measured average distance between scatterers is over 18 Å. To investigate the motions of these scatterers, coherent quasielastic neutron scattering (CQENS) data on D2O solutions with SrI2 at 1, 0.8, 0.6, and 0.4 mol L(-1) concentrations was obtained to provide an experimental measure of the diffusive transport rate for the motion between pairs of ions relative to each other. Because CQENS measures the motion of one ion relative to another, the frame of reference is centered on an ion, which is unique among all diffusion measurement methods. We call the measured quantity the pairwise diffusive transport rate Dp. In addition to this ion centered frame of reference, the diffusive transport rate can be measured as a function of the momentum transfer q, where q = (4π/λ)sin θ with a scattering angle of 2θ. Since q is related to the interion distance (d = 2π/q), for the experimental range 0.2 Å(-1)≤q≤ 1.0 Å(-1), Dp is, then, measured over interion distances from 40 Å to ≈6 Å. We find the measured diffusional transport rates increase with increasing distance between scatterers over the entire range covered and interpret this behavior to be caused by dynamic coupling among the ions. Within the model of Fickian diffusion, at the longer interionic distances Dp is greater than the Nernst-Hartley value for an infinitely dilute solution. For these nm-distance diffusional transport rates to conform with the lower, macroscopically measured diffusion coefficients, we propose that local, coordinated counter motion of at least pairs of ions is part of the transport process. PMID:27096293

  10. THE HALO MASS FUNCTION FROM EXCURSION SET THEORY. II. THE DIFFUSING BARRIER

    SciTech Connect

    Maggiore, Michele; Riotto, Antonio

    2010-07-01

    In excursion set theory, the computation of the halo mass function is mapped into a first-passage time process in the presence of a barrier, which in the spherical collapse model is a constant and in the ellipsoidal collapse model is a fixed function of the variance of the smoothed density field. However, N-body simulations show that dark matter halos grow through a mixture of smooth accretion, violent encounters, and fragmentations, and modeling halo collapse as spherical, or even as ellipsoidal, is a significant oversimplification. In addition, the very definition of what is a dark matter halo, both in N-body simulations and observationally, is a difficult problem. We propose that some of the physical complications inherent to a realistic description of halo formation can be included in the excursion set theory framework, at least at an effective level, by taking into account that the critical value for collapse is not a fixed constant {delta}{sub c}, as in the spherical collapse model, nor a fixed function of the variance {sigma} of the smoothed density field, as in the ellipsoidal collapse model, but rather is itself a stochastic variable, whose scatter reflects a number of complicated aspects of the underlying dynamics. Solving the first-passage time problem in the presence of a diffusing barrier we find that the exponential factor in the Press-Schechter mass function changes from exp{l_brace}-{delta}{sup 2}{sub c}/2{sigma}{sup 2{r_brace}} to exp{l_brace}-a{delta}{sup 2}{sub c}/2{sigma}{sup 2{r_brace}}, where a = 1/(1 + D{sub B}) and D{sub B} is the diffusion coefficient of the barrier. The numerical value of D{sub B} , and therefore the corresponding value of a, depends among other things on the algorithm used for identifying halos. We discuss the physical origin of the stochasticity of the barrier and, from recent N-body simulations that studied the properties of the collapse barrier, we deduce a value D{sub B} {approx_equal} 0.25. Our model then predicts a

  11. Theory of activated glassy relaxation, mobility gradients, surface diffusion, and vitrification in free standing thin films

    SciTech Connect

    Mirigian, Stephen E-mail: smirigian@gmail.com; Schweizer, Kenneth S. E-mail: smirigian@gmail.com

    2015-12-28

    We have constructed a quantitative, force level, statistical mechanical theory for how confinement in free standing thin films introduces a spatial mobility gradient of the alpha relaxation time as a function of temperature, film thickness, and location in the film. The crucial idea is that relaxation speeds up due to the reduction of both near-surface barriers associated with the loss of neighbors in the local cage and the spatial cutoff and dynamical softening near the vapor interface of the spatially longer range collective elasticity cost for large amplitude hopping. These two effects are fundamentally coupled. Quantitative predictions are made for how an apparent glass temperature depends on the film thickness and experimental probe technique, the emergence of a two-step decay and mobile layers in time domain measurements, signatures of confinement in frequency-domain dielectric loss experiments, the dependence of film-averaged relaxation times and dynamic fragility on temperature and film thickness, surface diffusion, and the relationship between kinetic experiments and pseudo-thermodynamic measurements such as ellipsometry.

  12. Characterizing brain anatomical connections using diffusion weighted MRI and graph theory.

    PubMed

    Iturria-Medina, Y; Canales-Rodríguez, E J; Melie-García, L; Valdés-Hernández, P A; Martínez-Montes, E; Alemán-Gómez, Y; Sánchez-Bornot, J M

    2007-07-01

    A new methodology based on Diffusion Weighted Magnetic Resonance Imaging (DW-MRI) and Graph Theory is presented for characterizing the anatomical connections between brain gray matter areas. In a first step, brain voxels are modeled as nodes of a non-directed graph in which the weight of an arc linking two neighbor nodes is assumed to be proportional to the probability of being connected by nervous fibers. This probability is estimated by means of probabilistic tissue segmentation and intravoxel white matter orientational distribution function, obtained from anatomical MRI and DW-MRI, respectively. A new tractography algorithm for finding white matter routes is also introduced. This algorithm solves the most probable path problem between any two nodes, leading to the assessment of probabilistic brain anatomical connection maps. In a second step, for assessing anatomical connectivity between K gray matter structures, the previous graph is redefined as a K+1 partite graph by partitioning the initial nodes set in K non-overlapped gray matter subsets and one subset clustering the remaining nodes. Three different measures are proposed for quantifying anatomical connections between any pair of gray matter subsets: Anatomical Connection Strength (ACS), Anatomical Connection Density (ACD) and Anatomical Connection Probability (ACP). This methodology was applied to both artificial and actual human data. Results show that nervous fiber pathways between some regions of interest were reconstructed correctly. Additionally, mean connectivity maps of ACS, ACD and ACP between 71 gray matter structures for five healthy subjects are presented.

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

    PubMed

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

    2010-01-01

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

  14. Self-healing diffusion quantum Monte Carlo algorithms: Theory and Applications

    NASA Astrophysics Data System (ADS)

    Reboredo, F. A.; Kent, P. R. C.; Tiago, M. L.; Hood, R. Q.

    2009-03-01

    We present a method to obtain the fixed node ground state wave function from an importance sampling Diffusion Monte Carlo (DMC) run. The fixed node ground state wave-function is altered to obtain an improved trial wave-function for the next DMC run. The theory behind this approach will be discussed. Two iterative algorithms are presented and validated in a model system by direct comparison with full configuration interaction (CI) wave functions and energies. We find that the trial wave-function is systematically improved. The scalar product of the trial wave-function with the CI result converges to 1 even starting from wave-functions orthogonal to the CI ground state. Similarly, the DMC total energy and density converges to the CI result. In the optimization process we find an optimal non-interacting nodal potential of density-functional-like form. An extension to a model system with full Coulomb interactions demonstrates that we can obtain the exact Kohn-Sham effective potential from the DMC data. Subsequently we apply our method to real molecules such as benzene and find that we can improve the ground state energy as compared with the single determinant result even starting from random wave-functions. Results for other molecular systems and comparison with alternative methods will be presented.

  15. Support vector machine classification of major depressive disorder using diffusion-weighted neuroimaging and graph theory.

    PubMed

    Sacchet, Matthew D; Prasad, Gautam; Foland-Ross, Lara C; Thompson, Paul M; Gotlib, Ian H

    2015-01-01

    Recently, there has been considerable interest in understanding brain networks in major depressive disorder (MDD). Neural pathways can be tracked in the living brain using diffusion-weighted imaging (DWI); graph theory can then be used to study properties of the resulting fiber networks. To date, global abnormalities have not been reported in tractography-based graph metrics in MDD, so we used a machine learning approach based on "support vector machines" to differentiate depressed from healthy individuals based on multiple brain network properties. We also assessed how important specific graph metrics were for this differentiation. Finally, we conducted a local graph analysis to identify abnormal connectivity at specific nodes of the network. We were able to classify depression using whole-brain graph metrics. Small-worldness was the most useful graph metric for classification. The right pars orbitalis, right inferior parietal cortex, and left rostral anterior cingulate all showed abnormal network connectivity in MDD. This is the first use of structural global graph metrics to classify depressed individuals. These findings highlight the importance of future research to understand network properties in depression across imaging modalities, improve classification results, and relate network alterations to psychiatric symptoms, medication, and comorbidities.

  16. The special theory of Brownian relativity: equivalence principle for dynamic and static random paths and uncertainty relation for diffusion.

    PubMed

    Mezzasalma, Stefano A

    2007-03-15

    The theoretical basis of a recent theory of Brownian relativity for polymer solutions is deepened and reexamined. After the problem of relative diffusion in polymer solutions is addressed, its two postulates are formulated in all generality. The former builds a statistical equivalence between (uncorrelated) timelike and shapelike reference frames, that is, among dynamical trajectories of liquid molecules and static configurations of polymer chains. The latter defines the "diffusive horizon" as the invariant quantity to work with in the special version of the theory. Particularly, the concept of universality in polymer physics corresponds in Brownian relativity to that of covariance in the Einstein formulation. Here, a "universal" law consists of a privileged observation, performed from the laboratory rest frame and agreeing with any diffusive reference system. From the joint lack of covariance and simultaneity implied by the Brownian Lorentz-Poincaré transforms, a relative uncertainty arises, in a certain analogy with quantum mechanics. It is driven by the difference between local diffusion coefficients in the liquid solution. The same transformation class can be used to infer Fick's second law of diffusion, playing here the role of a gauge invariance preserving covariance of the spacetime increments. An overall, noteworthy conclusion emerging from this view concerns the statistics of (i) static macromolecular configurations and (ii) the motion of liquid molecules, which would be much more related than expected. PMID:17223124

  17. The special theory of Brownian relativity: equivalence principle for dynamic and static random paths and uncertainty relation for diffusion.

    PubMed

    Mezzasalma, Stefano A

    2007-03-15

    The theoretical basis of a recent theory of Brownian relativity for polymer solutions is deepened and reexamined. After the problem of relative diffusion in polymer solutions is addressed, its two postulates are formulated in all generality. The former builds a statistical equivalence between (uncorrelated) timelike and shapelike reference frames, that is, among dynamical trajectories of liquid molecules and static configurations of polymer chains. The latter defines the "diffusive horizon" as the invariant quantity to work with in the special version of the theory. Particularly, the concept of universality in polymer physics corresponds in Brownian relativity to that of covariance in the Einstein formulation. Here, a "universal" law consists of a privileged observation, performed from the laboratory rest frame and agreeing with any diffusive reference system. From the joint lack of covariance and simultaneity implied by the Brownian Lorentz-Poincaré transforms, a relative uncertainty arises, in a certain analogy with quantum mechanics. It is driven by the difference between local diffusion coefficients in the liquid solution. The same transformation class can be used to infer Fick's second law of diffusion, playing here the role of a gauge invariance preserving covariance of the spacetime increments. An overall, noteworthy conclusion emerging from this view concerns the statistics of (i) static macromolecular configurations and (ii) the motion of liquid molecules, which would be much more related than expected.

  18. Vacancy diffusion in the Cu( 0 0 1 ) surface II: Random walk theory

    NASA Astrophysics Data System (ADS)

    Somfai, E.; van Gastel, R.; van Albada, S. B.; van Saarloos, W.; Frenken, J. W. M.

    2002-12-01

    We develop a version of the vacancy mediated tracer diffusion model, which follows the properties of the physical system of In atoms diffusing within the top layer of Cu(0 0 1) terraces. This model differs from the classical tracer diffusion problem in that (i) the lattice is finite, (ii) the boundary is a trap for the vacancy, and (iii) the diffusion rate of the vacancy is different, in our case strongly enhanced, in the neighborhood of the tracer atom. A simple continuum solution is formulated for this problem, which together with the numerical solution of the discrete model compares well with our experimental results.

  19. Theoretical and experimental physical methods of neutron-capture therapy

    NASA Astrophysics Data System (ADS)

    Borisov, G. I.

    2011-09-01

    This review is based to a substantial degree on our priority developments and research at the IR-8 reactor of the Russian Research Centre Kurchatov Institute. New theoretical and experimental methods of neutron-capture therapy are developed and applied in practice; these are: A general analytical and semi-empiric theory of neutron-capture therapy (NCT) based on classical neutron physics and its main sections (elementary theories of moderation, diffuse, reflection, and absorption of neutrons) rather than on methods of mathematical simulation. The theory is, first of all, intended for practical application by physicists, engineers, biologists, and physicians. This theory can be mastered by anyone with a higher education of almost any kind and minimal experience in operating a personal computer.

  20. Monte-Carlo analysis of rarefied-gas diffusion including variance reduction using the theory of Markov random walks

    NASA Technical Reports Server (NTRS)

    Perlmutter, M.

    1973-01-01

    Molecular diffusion through a rarefied gas is analyzed by using the theory of Markov random walks. The Markov walk is simulated on the computer by using random numbers to find the new states from the appropriate transition probabilities. As the sample molecule during its random walk passes a scoring position, which is a location at which the macroscopic diffusing flow variables such as molecular flux and molecular density are desired, an appropriate payoff is scored. The payoff is a function of the sample molecule velocity. For example, in obtaining the molecular flux across a scoring position, the random walk payoff is the net number of times the scoring position has been crossed in the positive direction. Similarly, when the molecular density is required, the payoff is the sum of the inverse velocity of the sample molecule passing the scoring position. The macroscopic diffusing flow variables are then found from the expected payoff of the random walks.

  1. Vibrations et relaxations dans les molécules biologiques. Apports de la diffusion incohérente inélastique de neutrons

    NASA Astrophysics Data System (ADS)

    Zanotti, J.-M.

    2005-11-01

    Le présent document ne se veut pas un article de revue mais plutôt un élément d'initiation à une technique encore marginale en Biologie. Le lecteur est supposé être un non spécialiste de la diffusion de neutrons poursuivant une thématique à connotation biologique ou biophysique mettant en jeu des phénomènes dynamiques. En raison de la forte section de diffusion incohérente de l'atome d'hydrogène et de l'abondance de cet élément dans les protéines, la diffusion incohérente inélastique de neutrons est une technique irremplaçable pour sonder la dynamique interne des macromolécules biologiques. Après un rappel succinct des éléments théoriques de base, nous décrivons le fonctionnement de différents types de spectromètres inélastiques par temps de vol sur source continue ou pulsée et discutons leurs mérites respectifs. Les deux alternatives utilisées pour décrire la dynamique des protéines sont abordées: (i)l'une en termes de physique statistique, issue de la physique des verres, (ii) la seconde est une interprétation mécanistique. Nous montrons dans ce cas, comment mettre à profit les complémentarités de domaines en vecteur de diffusion et de résolution en énergie de différents spectromètres inélastiques de neutrons (temps de vol, backscattering et spin-écho) pour accéder, à l'aide d'un modèle physique simple, à la dynamique des protéines sur une échelle de temps allant d'une fraction de picoseconde à quelques nanosecondes.

  2. Spectral formation in black hole and neutron star binaries: theory vs observations

    NASA Astrophysics Data System (ADS)

    Gilfanov, Marat

    2016-07-01

    I will discuss spectral formation in X-ray binaries with particular emphasis on the dichotomy between black holes and neutron stars. Predictions of theoretical models will be confronted with observations of compact X-ray sources in the Milky Way and beyond. I will discuss how the difference in the nature of the compact object leads to observable differences between accreting neutron stars and black holes and how accretion regimes change across the mass accretion rate range. This will be illustrated with observations of X-ray binaries in the Milky Way and external galaxies, the latter providing us with a unique possibility to explore accretion at its extremities.

  3. The Mathematical Theory of Diffusion and Reaction in Enzymes Immoblized Artificial Membrane. The Theory of the Non-Steady State.

    PubMed

    Ramanathan, Malinidevi; Muthuramalingam, Rasi; Lakshmanan, Rajendran

    2015-12-01

    In this paper, mathematical model pertaining to the decomposition of enzyme-substrate complex in an artificial membrane is discussed. Here the transport through liquid membrane phases is considered. The model involves the system of non-linear reaction diffusion equations. The non-linear terms in this model are related to Michaelis-Menten reaction scheme. Approximate analytical expressions for the concentrations of substrate and product have been derived by solving the system of non-linear reaction diffusion equations using new approach of homotopy perturbation method for all values of Michaelis-Menten constant, diffusion coefficient, and rate constant. Approximate flux expression for substrate and product for non-steady-state conditions are also reported. A comparison of the analytical approximation and numerical simulation is also presented. The results obtained in this work are valid for the entire solution domain.

  4. The Mathematical Theory of Diffusion and Reaction in Enzymes Immoblized Artificial Membrane. The Theory of the Non-Steady State.

    PubMed

    Ramanathan, Malinidevi; Muthuramalingam, Rasi; Lakshmanan, Rajendran

    2015-12-01

    In this paper, mathematical model pertaining to the decomposition of enzyme-substrate complex in an artificial membrane is discussed. Here the transport through liquid membrane phases is considered. The model involves the system of non-linear reaction diffusion equations. The non-linear terms in this model are related to Michaelis-Menten reaction scheme. Approximate analytical expressions for the concentrations of substrate and product have been derived by solving the system of non-linear reaction diffusion equations using new approach of homotopy perturbation method for all values of Michaelis-Menten constant, diffusion coefficient, and rate constant. Approximate flux expression for substrate and product for non-steady-state conditions are also reported. A comparison of the analytical approximation and numerical simulation is also presented. The results obtained in this work are valid for the entire solution domain. PMID:26265446

  5. Vacancy diffusion in colloidal crystals as determined by dynamical density-functional theory and the phase-field-crystal model.

    PubMed

    van Teeffelen, Sven; Achim, Cristian Vasile; Löwen, Hartmut

    2013-02-01

    A two-dimensional crystal of repulsive dipolar particles is studied in the vicinity of its melting transition by using Brownian dynamics computer simulation, dynamical density-functional theory, and phase-field-crystal modeling. A vacancy is created by taking out a particle from an equilibrated crystal, and the relaxation dynamics of the vacancy is followed by monitoring the time-dependent one-particle density. We find that the vacancy is quickly filled up by diffusive hopping of neighboring particles towards the vacancy center. We examine the temperature dependence of the diffusion constant and find that it decreases with decreasing temperature in the simulations. This trend is reproduced by the dynamical density-functional theory. Conversely, the phase-field-crystal calculations predict the opposite trend. Therefore, the phase-field model needs a temperature-dependent expression for the mobility to predict trends correctly.

  6. Time Dependent Density Functional Theory Calculations of Large Compact PAH Cations: Implications for the Diffuse Interstellar Bands

    NASA Technical Reports Server (NTRS)

    Weisman, Jennifer L.; Lee, Timothy J.; Salama, Farid; Gordon-Head, Martin; Kwak, Dochan (Technical Monitor)

    2002-01-01

    We investigate the electronic absorption spectra of several maximally pericondensed polycyclic aromatic hydrocarbon radical cations with time dependent density functional theory calculations. We find interesting trends in the vertical excitation energies and oscillator strengths for this series containing pyrene through circumcoronene, the largest species containing more than 50 carbon atoms. We discuss the implications of these new results for the size and structure distribution of the diffuse interstellar band carriers.

  7. INSTRUCTIONAL CONFERENCE ON THE THEORY OF STOCHASTIC PROCESSES: Stochastic partial differential equations and diffusion processes

    NASA Astrophysics Data System (ADS)

    Krylov, N. V.; Rozovskii, B. L.

    1982-12-01

    CONTENTS § 1. Introduction § 2. Solubility of the direct and inverse Cauchy problems § 3. The direct equation of inverse diffusion. The method of variation of constants § 4. The method of characteristics. First integrals and the Liouville equations for diffusion processes § 5. Inverse filtration equations References

  8. A remark on the theory of measuring thermal diffusivity by the modified Angstrom's method. [in lunar samples

    NASA Technical Reports Server (NTRS)

    Horai, K.-I.

    1981-01-01

    A theory of the measurement of the thermal diffusivity of a sample by the modified Angstrom method is developed for the case in which radiative heat loss from the end surface of the sample is not negligible, and applied to measurements performed on lunar samples. Formulas allowing sample thermal diffusivity to be determined from the amplitude decay and phase lag of a temperature wave traveling through the sample are derived for a flat disk sample for which only heat loss from the end surface is important, and a sample of finite diameter and length for which heat loss through the end and side surfaces must be considered. It is noted that in the case of a flat disk, measurements at a single angular frequency of the temperature wave are sufficient, while the sample of finite diameter and length requires measurements at two discrete angular frequencies. Comparison of the values of the thermal diffusivities of two lunar samples of dimensions approximately 1 x 1 x 2 cm derived by the present methods and by the Angstrom theory for a finite bar reveals them to differ by not more than 5%, and indicates that more refined data are required as the measurement theory becomes more complicated.

  9. Shielding application of perturbation theory to determine changes in neutron and gamma doses due to changes in shield layers

    NASA Technical Reports Server (NTRS)

    Fieno, D.

    1972-01-01

    Perturbation theory formulas were derived and applied to determine changes in neutron and gamma-ray doses due to changes in various radiation shield layers for fixed sources. For a given source and detector position, the perturbation method enables dose derivatives with respect to density, or equivalently thickness, for every layer to be determined from one forward and one inhomogeneous adjoint calculation. A direct determination without the perturbation approach would require two forward calculations to evaluate the dose derivative due to a change in a single layer. Hence, the perturbation method for obtaining dose derivatives requires fewer computations for design studies of multilayer shields. For an illustrative problem, a comparison was made of the fractional change in the dose per unit change in the thickness of each shield layer in a two-layer spherical configuration as calculated by perturbation theory and by successive direct calculations; excellent agreement was obtained between the two methods.

  10. Detailed Review of Rogers' Diffusion of Innovations Theory and Educational Technology-Related Studies Based on Rogers' Theory

    ERIC Educational Resources Information Center

    Sahin, Ismail

    2006-01-01

    The process of adopting new innovations has been studied for over 30 years, and one of the most popular adoption models is described by Rogers in his book, "Diffusion of Innovations" (Sherry & Gibson, 2002). Much research from a broad variety of disciplines has used the model as a framework. Dooley (1999) and Stuart (2000) mentioned several of…

  11. Detailed Review of Rogers' Diffusion of Innovations Theory and Educational Technology-Related Studies Based on Rogers' Theory

    ERIC Educational Resources Information Center

    Sahin, Ismail

    2006-01-01

    The process of adopting new innovations has been studied for over 30 years, and one of the most popular adoption models is described by Rogers in his book, "Diffusion of Innovations" (Sherry & Gibson, 2002). Much research from a broad variety of disciplines has used the model as a framework. Dooley (1999) and Stuart (2000) mentioned…

  12. Fast Water Diffusion and Long-Term Polymer Reorganization during Nafion Membrane Hydration Evidenced by Time-Resolved Small-Angle Neutron Scattering.

    PubMed

    Fumagalli, M; Lyonnard, S; Prajapati, G; Berrod, Q; Porcar, L; Guillermo, A; Gebel, G

    2015-06-11

    We report a small-angle neutron scattering study of liquid water sorption in Nafion membranes. The swelling of hydrophilic domains was measured on the nanoscale by combining in situ time-resolved and long-term static experiments, yielding kinetic curves recorded over an unprecedented time scale, from hundreds of milliseconds to several years. At low water content, typically below 5 water molecules per ionic group, a limited subdiffusive regime was observed and ascribed to nanoconfinement and local interactions between charged species and water molecules. Further ultrafast and thermally activated swelling due to massive liquid water sorption was observed and analyzed by using Fick's equation. The extracted mutual water diffusion coefficients are in good agreement with pulsed field gradient NMR self-diffusion coefficient values, evidencing a water diffusion-driven process due to concentration gradients within the Nafion membrane. Finally, after completion of the ultrafast regime, the kinetic swelling curves exhibit a remarkable long-term behavior scaling as the logarithm of time, showing that the polymer membrane can continuously accommodate additional water molecules upon hydration stress. The present nanoscale kinetics results provide insights into the vapor-versus-liquid sorption mechanisms, the nanostructure of Nafion, and the role of polymer reorganization modes, highlighting that the membrane can never reach a steady state.

  13. Microelectrode Arrays with Overlapped Diffusion Layers as Electroanalytical Detectors: Theory and Basic Applications

    PubMed Central

    Tomčík, Peter

    2013-01-01

    This contribution contains a survey of basic literature dealing with arrays of microelectrodes with overlapping diffusion layers as prospective tools in contemporary electrochemistry. Photolithographic thin layer technology allows the fabrication of sensors of micrometric dimensions separated with a very small gap. This fact allows the diffusion layers of single microelectrodes to overlap as members of the array. Various basic types of microelectrode arrays with interacting diffusion layers are described and their analytical abilities are accented. Theoretical approaches to diffusion layer overlapping and the consequences of close constitution effects such as collection efficiency and redox cycling are discussed. Examples of basis applications in electroanalytical chemistry such as amperometric detectors in HPLC and substitutional stripping voltammetry are also given. PMID:24152927

  14. Microelectrode arrays with overlapped diffusion layers as electroanalytical detectors: theory and basic applications.

    PubMed

    Tomčík, Peter

    2013-10-11

    This contribution contains a survey of basic literature dealing with arrays of microelectrodes with overlapping diffusion layers as prospective tools in contemporary electrochemistry. Photolithographic thin layer technology allows the fabrication of sensors of micrometric dimensions separated with a very small gap. This fact allows the diffusion layers of single microelectrodes to overlap as members of the array. Various basic types of microelectrode arrays with interacting diffusion layers are described and their analytical abilities are accented. Theoretical approaches to diffusion layer overlapping and the consequences of close constitution effects such as collection efficiency and redox cycling are discussed. Examples of basis applications in electroanalytical chemistry such as amperometric detectors in HPLC and substitutional stripping voltammetry are also given.

  15. Tested Demonstrations: Diffusion of Gases--Kinetic Molecular Theory of Gases.

    ERIC Educational Resources Information Center

    Gilbert, George L., Ed.

    1984-01-01

    Provided are procedures and list of materials needed to demonstrate that the pressure inside a container with a porous surface can be changed due to the rate of diffusion of low molecular weight gases. Typical results obtained are included. (JN)

  16. Data From HANE-Generated Radiation Belts and the Origin of Diffusion Theory

    SciTech Connect

    Winske, Dan

    2012-07-16

    In this presentation we briefly review some of the published data regarding the artificial radiation belts produced by the Starfish and R2 high altitude nuclear explosions in 1962. The data showed slow temporal variations of the belts in altitude (L) and pitch angle ({alpha}) that could be modeled as a diffusion process. That early work formed the basis for more complex radiation belt diffusion models that are in use at present.

  17. Introduction to the theory and analysis of resolved (and unresolved) neutron resonances via SAMMY

    SciTech Connect

    Larson, N.M.

    1998-02-01

    Neutron cross-section data are important for two distinct purposes: First, they provide insight into the nature of matter, thus assisting in the understanding of fundamental physics. Second, they are needed for practical applications (e.g., for calculating when and how a reactor will become critical, or how much shielding is needed for storage of nuclear materials, and for medical applications). Neutron cross section data in the resolved-resonance region are generally obtained by time-of-flight experiments, which must be carefully analyzed if they are to be properly understood and utilized. In this paper, important features of the analysis process are discussed, with emphasis on the particular techniques used in the analysis code SAMMY. Other features of the code are also described; these include such topics as calculation of group cross sections (including covariance matrices), generation and fitting of integral quantities, and extensions into the unresolved-resonance region and higher energy regions.

  18. Introduction to the Theory and Analysis of Resolved (and Unresolved) Neutron Resonances via SAMMY

    SciTech Connect

    Larson, N.

    2000-03-13

    Neutron cross-section data are important for two purposes: First, they provide insight into the nature of matter, increasing our understanding of fundamental physics. Second, they are needed for practical applications (e.g., for calculating when and how a reactor will become critical, or how much shielding is needed for storage of nuclear materials, or for medical applications). Neutron cross section data in the resolved-resonance region are generally obtained by time-of-flight experiments, which must be carefully analyzed if they are to be properly understood and utilized. In this report, important features of the analysis process are discussed, with emphasis on the particular techniques used in the analysis code SAMMY. Other features of the code are also described; these include such topics as calculation of group cross sections (including covariance matrices), generation and fitting of integral quantities, and extensions into the unresolved-resonance region and higher-energy regions.

  19. Introduction to theory and analysis of resolved (and unresolved) neutron resonances via SAMMY

    SciTech Connect

    Larson, N.M.

    1998-07-01

    Neutron cross-section data are important for two distinct purposes: first, they provide insight into the nature of matter, thus assisting in the understanding of fundamental physics; second, they are needed for practical applications (e.g., for calculating when and how a reactor will become critical, or how much shielding is needed for storage of nuclear materials, and for medical applications). Neutron cross section data in the resolved-resonance region are generally obtained by time-of-flight experiments, which must be carefully analyzed if they are to be properly understood and utilized. In this paper, important features of the analysis process are discussed, with emphasis on the particular technique used in the analysis code SAMMY. Other features of the code are also described; these include such topics as calculation of group cross sections (including covariance matrices), generation and fitting of integral quantities, and extensions into the unresolved-resonance region and higher-energy regions.

  20. Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory.

    PubMed

    Mucsi, Zoltán; Chass, Gregory A; Ábrányi-Balogh, Péter; Jójárt, Balázs; Fang, De-Cai; Ramirez-Cuesta, Annibal J; Viskolcz, Béla; Csizmadia, Imre G

    2013-12-21

    Penicillin, travels through bodily fluids, targeting and acylatively inactivating enzymes responsible for cell-wall synthesis in gram-positive bacteria. Somehow, it avoids metabolic degradation remaining inactive en route. To resolve this ability to switch from a non-active, to a highly reactive form, we investigated the dynamic structure-activity relationship of penicillin by inelastic neutron spectroscopy, reaction kinetics, NMR and multi-scale theoretical modelling (QM/MM and post-HF ab initio). Results show that by a self-activating physiological pH-dependent two-step proton-mediated process, penicillin changes geometry to activate its irreversibly reactive acylation, facilitated by systemic intramolecular energy management and cooperative vibrations. This dynamic mechanism is confirmed by the first ever reported characterisation of an antibiotic by neutrons, achieved on the TOSCA instrument (ISIS facility, RAL, UK).

  1. Spin-orbit and orbit-orbit strengths for the radioactive neutron-rich doubly magic nucleus {sup 132}Sn in relativistic mean-field theory

    SciTech Connect

    Liang Haozhao; Zhao Pengwei; Li Lulu; Meng Jie

    2011-01-15

    Relativistic mean-field (RMF) theory is applied to investigate the properties of the radioactive neutron-rich doubly magic nucleus {sup 132}Sn and the corresponding isotopes and isotones. The two-neutron and two-proton separation energies are well reproduced by the RMF theory. In particular, the RMF results agree with the experimental single-particle spectrum in {sup 132}Sn as well as the Nilsson spin-orbit parameter C and orbit-orbit parameter D thus extracted, but remarkably differ from the traditional Nilsson parameters. Furthermore, the present results provide a guideline for the isospin dependence of the Nilsson parameters.

  2. Auxiliary-field quantum Monte Carlo simulations of neutron matter in chiral effective field theory.

    PubMed

    Wlazłowski, G; Holt, J W; Moroz, S; Bulgac, A; Roche, K J

    2014-10-31

    We present variational Monte Carlo calculations of the neutron matter equation of state using chiral nuclear forces. The ground-state wave function of neutron matter, containing nonperturbative many-body correlations, is obtained from auxiliary-field quantum Monte Carlo simulations of up to about 340 neutrons interacting on a 10(3) discretized lattice. The evolution Hamiltonian is chosen to be attractive and spin independent in order to avoid the fermion sign problem and is constructed to best reproduce broad features of the chiral nuclear force. This is facilitated by choosing a lattice spacing of 1.5 fm, corresponding to a momentum-space cutoff of Λ=414  MeV/c, a resolution scale at which strongly repulsive features of nuclear two-body forces are suppressed. Differences between the evolution potential and the full chiral nuclear interaction (Entem and Machleidt Λ=414  MeV [L. Coraggio et al., Phys. Rev. C 87, 014322 (2013).

  3. Studies of molecular diffusion in single-supported bilayer lipid membranes at high hydration by quasielastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Bai, M.; Miskowiec, A.; Wang, S.-K.; Taub, H.; Hansen, F. Y.; Jenkins, T.; Tyagi, M.; Neumann, D. A.; Diallo, S. O.; Mamontov, E.; Herwig, K. W.

    2011-03-01

    Bilayer lipid membranes supported on a solid surface are attractive model systems for understanding the structure and dynamics of more complex biological membranes that form the outer boundary of living cells. We have recently obtained quasielastic neutron spectra from single-supported bilayer lipid membranes using the backscattering spectrometer BASIS at the Spallation Neutron Source. Protonated DMPC membranes were deposited onto Si O2 -coated Si(100) substrates and characterized by AFM. Analysis of their neutron spectra shows evidence of a relatively broad Lorentzian component that we associate with bulk-like water above a freezing temperature of ~ 267 K. At lower temperatures, the spectra differ qualitatively from that of bulk supercooled water, a behavior that we attribute to water bound to the membrane. We also find evidence of a narrow Lorentzian component that we tentatively identify with a slower motion (time scale ~ 1 ns) associated with conformational changes of the alkyl tails of the lipid molecules. Supported by NSF Grant No. DMR-0705974.

  4. Monte Carlo simulation study on the availability of the floating-reference theory to diffused transmittance spectra

    NASA Astrophysics Data System (ADS)

    Jiang, Jingying; Li, Lin; Ma, Congcong; Liu, Jiajia; Lu, Junsheng; Xu, Kexin

    2016-03-01

    Previous results revealed that the influences, caused by both individual differences an1d measuring environmental factors, would be reduced by using the floating-reference theory (FRT) for diffused reflectance spectra (DRS) -based blood glucose measurement by Near Infrared Spectroscopy (NIRS). The obtained signals could highlight the variation in light intensity which was brought only by the change of glucose concentration. The existing studies on FRT have mainly focused on the diffused reflectance spectra, but rarely involved the diffused transmittance spectra. In this talk, it is our aim to investigate the availability of FRT on the diffused transmittance spectra (DTS) on the basis of Monte Carlo (MC) simulation method. The MC simulations of DTS have been carried out with different glucose concentrations and skin tissue thicknesses. The simulation results show that the floating reference position point of DTS will disappear when the tissue thickness is greater than a certain value. Therefore, the FRT might be applied on thin tissue model for DTS by NIRS.

  5. Code System to Solve the Few-Group Neutron Diffusion Equation Utilizing the Nodal Expansion Method (NEM) for Eigenvalue, Adjoint, and Fixed-Source

    2004-04-21

    Version 04 NESTLE solves the few-group neutron diffusion equation utilizing the NEM. The NESTLE code can solve the eigenvalue (criticality), eigenvalue adjoint, external fixed-source steady-state, and external fixed-source or eigenvalue initiated transient problems. The eigenvalue problem allows criticality searches to be completed, and the external fixed-source steady-state problem can search to achieve a specified power level. Transient problems model delayed neutrons via precursor groups. Several core properties can be input as time dependent. Two- ormore » four-energy groups can be utilized, with all energy groups being thermal groups (i.e., upscatter exits) if desired. Core geometries modeled include Cartesian and hexagonal. Three-, two-, and one-dimensional models can be utilized with various symmetries. The thermal conditions predicted by the thermal-hydraulic model of the core are used to correct cross sections for temperature and density effects. Cross sections are parameterized by color, control rod state (i.e., in or out), and burnup, allowing fuel depletion to be modeled. Either a macroscopic or microscopic model may be employed.« less

  6. NEW HYPERON EQUATIONS OF STATE FOR SUPERNOVAE AND NEUTRON STARS IN DENSITY-DEPENDENT HADRON FIELD THEORY

    SciTech Connect

    Banik, Sarmistha; Hempel, Matthias; Bandyopadhyay, Debades

    2014-10-01

    We develop new hyperon equation of state (EoS) tables for core-collapse supernova simulations and neutron stars. These EoS tables are based on a density-dependent relativistic hadron field theory where baryon-baryon interaction is mediated by mesons, using the parameter set DD2 for nucleons. Furthermore, light and heavy nuclei along with interacting nucleons are treated in the nuclear statistical equilibrium model of Hempel and Schaffner-Bielich which includes excluded volume effects. Of all possible hyperons, we consider only the contribution of Λs. We have developed two variants of hyperonic EoS tables: in the npΛφ case the repulsive hyperon-hyperon interaction mediated by the strange φ meson is taken into account, and in the npΛ case it is not. The EoS tables for the two cases encompass a wide range of densities (10{sup –12} to ∼1 fm{sup –3}), temperatures (0.1 to 158.48 MeV), and proton fractions (0.01 to 0.60). The effects of Λ hyperons on thermodynamic quantities such as free energy per baryon, pressure, or entropy per baryon are investigated and found to be significant at higher densities. The cold, β-equilibrated EoS (with the crust included self-consistently) results in a 2.1 M {sub ☉} maximum mass neutron star for the npΛφ case, whereas that for the npΛ case is 1.95 M {sub ☉}. The npΛφ EoS represents the first supernova EoS table involving hyperons that is directly compatible with the recently measured 2 M {sub ☉} neutron stars.

  7. Light propagation through weakly scattering media: a study of Monte Carlo vs. diffusion theory with application to neuroimaging

    NASA Astrophysics Data System (ADS)

    Ancora, Daniele; Zacharopoulos, Athanasios; Ripoll, Jorge; Zacharakis, Giannis

    2015-07-01

    One of the major challenges within Optical Imaging, photon propagation through clear layers embedded between scattering tissues, can be now efficiently modelled in real-time thanks to the Monte Carlo approach based on GPU. Because of its nature, the photon propagation problem can be very easily parallelized and ran on low cost hardware, avoiding the need for expensive Super Computers. A comparison between Diffusion and MC photon propagation theory is presented in this work with application to neuroimaging, investigating low scattering regions in a mouse-like phantom. Regions such as the Cerebral Spinal Fluid, are currently not taken into account in the classical computational models because of the impossibility to accurately simulate light propagation using fast Diffusive Equation approaches, leading to inaccuracies during the reconstruction process. The goal of the study presented here, is to reduce and further improve the computation accuracy of the reconstructed solution in a highly realistic scenario in the case of neuroimaging in preclinical mouse models.

  8. Neutron star equilibrium configurations within a fully relativistic theory with strong, weak, electromagnetic, and gravitational interactions

    NASA Astrophysics Data System (ADS)

    Belvedere, Riccardo; Pugliese, Daniela; Rueda, Jorge A.; Ruffini, Remo; Xue, She-Sheng

    2012-06-01

    We formulate the equations of equilibrium of neutron stars taking into account strong, weak, electromagnetic, and gravitational interactions within the framework of general relativity. The nuclear interactions are described by the exchange of the σ, ω, and ρ virtual mesons. The equilibrium conditions are given by our recently developed theoretical framework based on the Einstein-Maxwell-Thomas-Fermi equations along with the constancy of the general relativistic Fermi energies of particles, the "Klein potentials", throughout the configuration. The equations are solved numerically in the case of zero temperatures and for selected parameterizations of the nuclear models. The solutions lead to a new structure of the star: a positively charged core at supranuclear densities surrounded by an electronic distribution of thickness ˜ℏ/(mec)˜102ℏ/(mπc) of opposite charge, as well as a neutral crust at lower densities. Inside the core there is a Coulomb potential well of depth ˜mπc2/e. The constancy of the Klein potentials in the transition from the core to the crust, imposes the presence of an overcritical electric field ˜(Ec, the critical field being Ec=me2c3/(eℏ). The electron chemical potential and the density decrease, in the boundary interface, until values μecrust<μecore and ρ<ρ. For each central density, an entire family of core-crust interface boundaries and, correspondingly, an entire family of crusts with different mass and thickness, exist. The configuration with ρ=ρ˜4.3×1011 gcm separates neutron stars with and without inner crust. We present here the novel neutron star mass-radius for the especial case ρ=ρ and compare and contrast it with the one obtained from the traditional Tolman-Oppenheimer-Volkoff treatment.

  9. Theory of neutrino emission from nucleon-hyperon matter in neutron stars: angular integrals

    NASA Astrophysics Data System (ADS)

    Kaminker, A. D.; Yakovlev, D. G.; Haensel, P.

    2016-08-01

    Investigations of thermal evolution of neutron stars with hyperon cores require neutrino emissivities for many neutrino reactions involving strongly degenerate particles (nucleons, hyperons, electrons, muons). We calculate the angular integrals In (over orientations of momenta of n degenerate particles) for major neutrino reactions with n=3, 4, 5 at all possible combinations of particle Fermi momenta. The integrals In are necessary ingredients for constructing a uniform database of neutrino emissivities in dense nucleon-hyperon matter. The results can also be used in many problems of physical kinetics of strongly degenerate systems.

  10. Analysis of the proposed relocation of the neutron criticality clusters in the process buildings for the Portsmouth Gaseous Diffusion Plant

    SciTech Connect

    Negron, S.B.; Tayloe, R.W. Jr.

    1994-01-01

    Radiation levels in Buildings X-326, X-330 and X-333 have been determined for the ANSI minimum accident of concern at both the current and the proposed locations of the criticality alum system neutron detectors. This was performed in order to evaluate whether or not the detectors could be lowered from their current positions and still respond to the minimum accident of concern. Relocating the detectors could reduce the potential for worker in injury when the approximately 90-pound alarms need to be removed for periodic maintenance. It could also decrease the incidence of battery failure from elevated temperatures which can exceed 160 degrees F. At the proposed 1-meter elevation the detectors would be surrounded by the cells containing the cascade equipment; therefore, the detectors would be less responsive to a criticality event. The results of this analysis indicate that the detectors could be lowered from their current height of 5 meters to a height of 1 meter and still respond to the minimum accident of concern. This analysis was performed using the MCNP monte carlo code with a source corresponding to a critical system of uranyl fluoride solutions of 1.2, 3.0, and 4.95 weight percent U-235 enrichment. The neutron dose rates were evaluated at positions of 69 meters and 100 meters radially outward from the source at 5 meter and 1 meter heights. All neutron detectors located in the three process buildings are located within 100 meters from any potential criticality. This report details the methodology used for this study, background on the data employed, and a comparison to a similar analysis performed in 1983.

  11. Design, construction and application of a neutron shield for the treatment of diffuse lung metastases in rats using BNCT.

    PubMed

    Razetti, A; Farías, R O; Thorp, S I; Trivillin, V A; Pozzi, E C C; Curotto, P; Schwint, A E; González, S J

    2014-06-01

    A model of multiple lung metastases in BDIX rats is under study at CNEA (Argentina) to evaluate the feasibility of BNCT for multiple, non-surgically resectable lung metastases. A practical shielding device that comfortably houses a rat, allowing delivery of a therapeutic, uniform dose in lungs while protecting the body from the neutron beam is presented. Based on the final design obtained by numerical simulations, the shield was constructed, experimentally characterized and recently used in the first in vivo experiment at RA-3.

  12. Oscillations of Bubble Shape Cause Anomalous Surfactant Diffusion: Experiments, Theory, and Simulations.

    PubMed

    Raudino, Antonio; Raciti, Domenica; Grassi, Antonio; Pannuzzo, Martina; Corti, Mario

    2016-08-30

    We investigate, both theoretically and experimentally, the role played by the oscillations of the cell membrane on the capture rate of substances freely diffusing around the cell. To obtain quantitative results, we propose and build up a reproducible and tunable biomimetic experimental model system to simulate the phenomenon of an oscillation-enhanced (or depressed) capture rate (chemoreception) of a diffusant. The main advantage compared to real biological systems is that the different oscillation parameters (type of deformation, frequencies, and amplitudes) can be finely tuned. The model system that we use is an anchored gas drop submitted to a diffusive flow of charged surfactants. When the surfactant meets the surface of the bubble, it is reversibly adsorbed. Bubble oscillations of the order of a few nanometers are selectively excited, and surfactant transport is accurately measured. The surfactant concentration past the oscillating bubbles was detected by conductivity measurements. The results highlight the role of surface oscillations on the diffusant capture rate. Particularly unexpected is the onset of intense overshoots during the adsorption process. The phenomenon is particularly relevant when the bubbles are exposed to intense forced oscillations near resonance. PMID:27509197

  13. Rate theory models for ion transport through rigid pores. III. Continuum vs discrete models in single file diffusion.

    PubMed

    Stephan, W; Kleutsch, B; Frehland, E

    1983-11-21

    In studying the single file model in its discrete as well as in its continuum form the relationship between the phenomenological continuum theory of diffusion and the rate theory approach is analyzed. The single file model in its original form is discrete and represents the most general rate theory model for ion transport through rigid pores in biological membranes. In neglecting the interionic interactions which the single file model takes into account, the Nernst-Planck equation of macroscopic free diffusion can be derived from single file by means of the procedure n leads to infinity (where n is the number of binding sites within a pore) and the classical diffusion theory can thereby be integrated into the more general concept of single filing transport. Moreover, the single file model has been transformed in the limit n leads to infinity into the corresponding continuum form involving interionic interactions. The essential differences between the two derived continuum forms are: In the macroscopic diffusion model, the interionic interactions are regarded in the form of a "mean field". Thus we only get one equation of motion (Nernst-Planck equation) for the ionic concentration c(x, t) within the membrane. In the continuum version of the single file model, however, we obtain a hierarchy of Fokker-Planck equations for the probability density functions Pm(x1, . . . , xm, t) (where m is the number of ions within a pore). The interactions of the single file system are incorporated in detail into the Fokker-Planck equation as well as into the corresponding boundary conditions. As a consequence, the boundary conditions are highly complex in comparison with periodic conditions or Dirichlet conditions often used for the Nernst-Planck equation in electrophysiology. Two types of boundary conditions have been found which are principally different: The first one is to regulate the entry and exit of the ions at the pore mouth by a negative feedback mechanism, the second one

  14. Diffusivity in turbulent fluid containing two dominant scales, and compressible shear layer according to a kinetic theory

    NASA Technical Reports Server (NTRS)

    Chung, P. M.

    1976-01-01

    The solution of the two nonequilibrium-degree kinetic equation was first determined for the effective length scale and turbulence energy for a spatially homogeneous turbulence field with two characteristic length scales, where the source for one family of eddies exists. This solution was applied to the evaluation of the eddy diffusivity in the combustion chamber of an internal combustion engine. The result was compared with another existing solution. This was carried out to demonstrate the feasibility of obtaining an effective length-scale equation within the context of the kinetic theory. A formulation and partial solution of the compressible plane shear layer are also presented.

  15. A review on the relativistic effective field theory with parameterized couplings for nuclear matter and neutron stars

    SciTech Connect

    Vasconcellos, C. A. Zen

    2015-12-17

    Nuclear science has developed many excellent theoretical models for many-body systems in the domain of the baryon-meson strong interaction for the nucleus and nuclear matter at low, medium and high densities. However, a full microscopic understanding of nuclear systems in the extreme density domain of compact stars is still lacking. The aim of this contribution is to shed some light on open questions facing the nuclear many-body problem at the very high density domain. Here we focus our attention on the conceptual issue of naturalness and its role in shaping the baryon-meson phase space dynamics in the description of the equation of state (EoS) of nuclear matter and neutrons stars. In particular, in order to stimulate possible new directions of research, we discuss relevant aspects of a recently developed relativistic effective theory for nuclear matter within Quantum Hadrodynamics (QHD) with genuine many-body forces and derivative natural parametric couplings. Among other topics we discuss in this work the connection of this theory with other known effective QHD models of the literature and its potentiality in describing a new physics for dense matter. The model with parameterized couplings exhausts the whole fundamental baryon octet (n, p, Σ{sup −}, Σ{sup 0}, Σ{sup +}, Λ, Ξ{sup −}, Ξ{sup 0}) and simulates n-order corrections to the minimal Yukawa baryon couplings by considering nonlinear self-couplings of meson fields and meson-meson interaction terms coupled to the baryon fields involving scalar-isoscalar (σ, σ∗), vector-isoscalar (ω, Φ), vector-isovector (ϱ) and scalar-isovector (δ) virtual sectors. Following recent experimental results, we consider in our calculations the extreme case where the Σ{sup −} experiences such a strong repulsion that its influence in the nuclear structure of a neutron star is excluded at all. A few examples of calculations of properties of neutron stars are shown and prospects for the future are discussed.

  16. Theory of neutron scattering from superfluid 4He at finite temperatures

    NASA Astrophysics Data System (ADS)

    Talbot, E.; Griffin, A.

    1984-03-01

    The dynamic structure factor S(Q-->,ω) for a Bose-condensed system is calculated microscopically at temperatures where there are a significant number of thermally excited quasiparticles present. Our work is based on the one-loop diagrammatic approximation, which has been used by Wong and Gould to discuss the low-temperature limit. In our numerical calculations (for Q=0.35 and 0.8 Å-1) of proper, irreducible quantities, we use the Bogoliubov approximation for the coherence factors in conjunction with the experimentally determined quasiparticle spectrum. We find that at high temperatures, the collisionless phonon resonance exhibited by S(Q-->,ω) has a width which increases with the number of thermally excited rotons, in rough agreement with the neutron scattering data of Cowley and Woods as well as those of Woods and Svensson. Our results are compared with those based on a phenomenological treatment of the phonon-roton coupling.

  17. Theory of diffusion of active particles that move at constant speed in two dimensions

    NASA Astrophysics Data System (ADS)

    Sevilla, Francisco J.; Gómez Nava, Luis A.

    2014-08-01

    Starting from a Langevin description of active particles that move with constant speed in infinite two-dimensional space and its corresponding Fokker-Planck equation, we develop a systematic method that allows us to obtain the coarse-grained probability density of finding a particle at a given location and at a given time in arbitrary short-time regimes. By going beyond the diffusive limit, we derive a generalization of the telegrapher equation. Such generalization preserves the hyperbolic structure of the equation and incorporates memory effects in the diffusive term. While no difference is observed for the mean-square displacement computed from the two-dimensional telegrapher equation and from our generalization, the kurtosis results in a sensible parameter that discriminates between both approximations. We carry out a comparative analysis in Fourier space that sheds light on why the standard telegrapher equation is not an appropriate model to describe the propagation of particles with constant speed in dispersive media.

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

    PubMed

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

    2004-12-01

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

  19. Relationships between diffuse reflectance and vegetation canopy variables based on the radiative transfer theory

    NASA Technical Reports Server (NTRS)

    Park, J. K.; Deering, D. W.

    1981-01-01

    Out of the lengthy original expression of the diffuse reflectance formula, simple working equations were derived by employing characteristic parameters, which are independent of the canopy coverage and identifiable by field observations. The typical asymptotic nature of reflectance data that is usually observed in biomass studies was clearly explained. The usefulness of the simplified equations was demonstrated by the exceptionally close fit of the theoretical curves to two separately acquired data sets for alfalfa and shortgrass prairie canopies.

  20. Fluctuation theory of the coupling between diffusion and reaction in 1D: coalescence with point reactivities

    NASA Astrophysics Data System (ADS)

    Molski, Andrzej

    1996-04-01

    Fluctuation theory of the one-dimensional coalescence of point particles with finite intrinsic reactivity, k0, is presented. For irreversible coalescence, A + A → A, a closed nonclassic rate equation is derived. For reversible coalescence, A + A ⇌ A, the kinetics of relaxation to equilibrium are discussed. For steady states maintained by an external source, S → A, an implicit relation between the input rate and the concentrations is found. An analytic model developed by Ben-Avraham, Burschka and Doering (BBD) [J. Stat. Phys. 60 (1990) 695] is used to test the approximations of the fluctuation theory for the limiting case of infinite intrinsic reactivity, k0 → ∞. Semiquantitative agreement is found between the fluctuation theory and the BBD model except for relaxation to equilibrium. The kinetic relationships between coalescence ( A + A → A) and annihilation ( A + A → 0) predicted by the fluctuation theory coincide with those from the model analytic kinetics.

  1. A Monte Carlo EM approach for partially observable diffusion processes: theory and applications to neural networks.

    PubMed

    Movellan, Javier R; Mineiro, Paul; Williams, R J

    2002-07-01

    We present a Monte Carlo approach for training partially observable diffusion processes. We apply the approach to diffusion networks, a stochastic version of continuous recurrent neural networks. The approach is aimed at learning probability distributions of continuous paths, not just expected values. Interestingly, the relevant activation statistics used by the learning rule presented here are inner products in the Hilbert space of square integrable functions. These inner products can be computed using Hebbian operations and do not require backpropagation of error signals. Moreover, standard kernel methods could potentially be applied to compute such inner products. We propose that the main reason that recurrent neural networks have not worked well in engineering applications (e.g., speech recognition) is that they implicitly rely on a very simplistic likelihood model. The diffusion network approach proposed here is much richer and may open new avenues for applications of recurrent neural networks. We present some analysis and simulations to support this view. Very encouraging results were obtained on a visual speech recognition task in which neural networks outperformed hidden Markov models.

  2. Unified drift-diffusion theory for transverse spin currents in spin valves, domain walls, and other textured magnets.

    PubMed

    Petitjean, Cyril; Luc, David; Waintal, Xavier

    2012-09-14

    Spins transverse to the magnetization of a ferromagnet only survive over a short distance. We develop a drift-diffusion approach that captures the main features of transverse spin effects in systems with arbitrary spin textures (e.g., vortices and domain walls) and generalizes the Valet-Fert theory. In addition to the standard characteristic lengths (mean free path for majority and minority electrons, and spin diffusion length), the theory introduces two length scales, the transverse spin coherence length ℓ(⊥) and the (Larmor) spin precession length ℓ(L). We show how ℓ(L) and ℓ(⊥) can be extracted from ab initio calculations or measured with giant magnetoresistance experiments. In long (adiabatic) domain walls, we provide an analytic formula that expresses the so-called "nonadiabatic" (or fieldlike) torque in terms of these length scales. However, this nonadiabatic torque is no longer a simple material parameter but depends on the actual spin texture: in thin (<10  nm) domain walls, we observe very significant deviations from the adiabatic limit. PMID:23005670

  3. Structural relaxation and diffusion in a model colloid-polymer mixture: dynamical density functional theory and simulation

    NASA Astrophysics Data System (ADS)

    Stopper, Daniel; Roth, Roland; Hansen-Goos, Hendrik

    2016-11-01

    Within the Asakura-Oosawa model, we study structural relaxation in mixtures of colloids and polymers subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove distribution function G(r,t) by means of dynamical density functional theory (DDFT) using an accurate free-energy functional based on Rosenfeld’s fundamental measure theory. In order to remove unphysical interactions within the self part, we extend the recently proposed quenched functional framework (Stopper et al 2015 J. Chem. Phys. 143 181105) toward mixtures. In addition, we obtain results for the long-time self diffusion coefficients of colloids and polymers from dynamic Monte Carlo simulations, which we incorporate into the DDFT. From the resulting DDFT equations we calculate G(r, t), which we find to agree very well with our simulations. In particular, we examine the influence of polymers which are slow relative to the colloids—a scenario for which both DDFT and simulation show a significant peak forming at r  =  0 in the colloid-colloid distribution function, akin to experimental findings involving gelation of colloidal suspensions. Moreover, we observe that, in the presence of slow polymers, the long-time self diffusivity of the colloids displays a maximum at an intermediate colloid packing fraction. This behavior is captured by a simple semi-empirical formula, which provides an excellent description of the data.

  4. Structural relaxation and diffusion in a model colloid-polymer mixture: dynamical density functional theory and simulation.

    PubMed

    Stopper, Daniel; Roth, Roland; Hansen-Goos, Hendrik

    2016-11-16

    Within the Asakura-Oosawa model, we study structural relaxation in mixtures of colloids and polymers subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self and distinct parts of the van Hove distribution function G(r,t) by means of dynamical density functional theory (DDFT) using an accurate free-energy functional based on Rosenfeld's fundamental measure theory. In order to remove unphysical interactions within the self part, we extend the recently proposed quenched functional framework (Stopper et al 2015 J. Chem. Phys. 143 181105) toward mixtures. In addition, we obtain results for the long-time self diffusion coefficients of colloids and polymers from dynamic Monte Carlo simulations, which we incorporate into the DDFT. From the resulting DDFT equations we calculate G(r, t), which we find to agree very well with our simulations. In particular, we examine the influence of polymers which are slow relative to the colloids-a scenario for which both DDFT and simulation show a significant peak forming at r  =  0 in the colloid-colloid distribution function, akin to experimental findings involving gelation of colloidal suspensions. Moreover, we observe that, in the presence of slow polymers, the long-time self diffusivity of the colloids displays a maximum at an intermediate colloid packing fraction. This behavior is captured by a simple semi-empirical formula, which provides an excellent description of the data. PMID:27608916

  5. Correlated two-particle diffusion in dense colloidal suspensions at early times: Theory and comparison to experiment.

    PubMed

    Dell, Zachary E; Tsang, Boyce; Jiang, Lingxiang; Granick, Steve; Schweizer, Kenneth S

    2015-11-01

    The spatially resolved diffusive dynamic cross correlations of a pair of colloids in dense quasi-two-dimensional monolayers of identical particles are studied experimentally and theoretically at early times where motion is Fickian. In very dense systems where strong oscillatory equilibrium packing correlations are present, we find an exponential decay of the dynamic cross correlations on small and intermediate length scales. At large separations where structure becomes random, an apparent power law decay with an exponent of approximately -2.2 is observed. For a moderately dense suspension where local structural correlations are essentially absent, this same apparent power law decay is observed over all probed interparticle separations. A microscopic nonhydrodynamic theory is constructed for the dynamic cross correlations which is based on interparticle frictional effects and effective structural forces. Hydrodynamics enters only via setting the very short-time single-particle self-diffusion constant. No-adjustable-parameter quantitative predictions of the theory for the dynamic cross correlations are in good agreement with experiment over all length scales. The origin of the long-range apparent power law is the influence of the constraint of fixed interparticle separation on the amplitude of the mean square force exerted on the two tagged particles by the surrounding fluid. The theory is extended to study high-packing-fraction 3D hard sphere fluids. The same pattern of an oscillatory exponential form of the dynamic cross correlation function is predicted in the structural regime, but the long-range tail decays faster than in monolayers with an exponent of -3.

  6. Theory of finite disturbances in a centrifugal compression system with a vaneless radial diffuser

    NASA Technical Reports Server (NTRS)

    Moore, F. K.

    1990-01-01

    A previous small perturbation analysis of circumferential waves in circumferential compression systems, assuming inviscid flow, is shown to be consistent with observations that narrow diffusers are more stable than wide ones, when boundary layer displacement effect is included. The Moore-Greitzer analysis for finite strength transients containing both surge and rotating stall in axial machines is adapted for a centrifugal compression system. Under certain assumptions, and except for a new second order swirl, the diffuser velocity field, including resonant singularities, can be carried over from the previous inviscid linear analysis. Nonlinear transient equations are derived and applied in a simple example to show that throttling through a resonant value of flow coefficient must occur in a sudden surge-like drop, accompanied by a transient rotating wave. This inner solution is superseded by an outer surge response on a longer time scale. Surge may occur purely as result of circumferential wave resonance. Numerical results are shown for various parametric choices relating to throttle schedule and the characteristic slope. A number of circumferential modes considered simultaneously is briefly discussed.

  7. Two-Dimensional Diffusion Theory Analysis of Reactivity Effects of a Fuel-Plate-Removal Experiment

    NASA Technical Reports Server (NTRS)

    Gotsky, Edward R.; Cusick, James P.; Bogart, Donald

    1959-01-01

    Two-dimensional two-group diffusion calculations were performed on the NASA reactor simulator in order to evaluate the reactivity effects of fuel plates removed successively from the center experimental fuel element of a seven- by three-element core loading at the Oak Ridge Bulk Shielding Facility. The reactivity calculations were performed by two methods: In the first, the slowing-down properties of the experimental fuel element were represented by its infinite media parameters; and, in the second, the finite size of the experimental fuel element was recognized, and the slowing-down properties of the surrounding core were attributed to this small region. The latter calculation method agreed very well with the experimented reactivity effects; the former method underestimated the experimental reactivity effects.

  8. Theory of thermal and charge transport in diffusive normal metal/superconductor junctions

    NASA Astrophysics Data System (ADS)

    Yokoyama, T.; Tanaka, Y.; Golubov, A. A.; Asano, Y.

    2005-12-01

    Thermal and charge transport in diffusive normal metal (DN)/insulator/ s -, d -, and p -wave superconductor junctions are studied based on the Usadel equation with the Nazarov’s generalized boundary condition. We derive a general expression of the thermal conductance in unconventional superconducting junctions. Thermal conductance, electric conductance of junctions and their Lorentz ratio are calculated as a function of resistance in DN, the Thouless energy, magnetic scattering rate in DN and transparency of the insulating barrier. We also discuss transport properties for various orientation angles between the normal to the interface and the crystal axis of superconductors. It is demonstrated that the proximity effect does not influence the thermal conductance while the midgap Andreev resonant states suppress it. Dependencies of the electrical and thermal conductance on temperature are sensitive to pairing symmetries and orientation angles. The results imply a possibility to distinguish one pairing symmetry from another based on the results of experimental observations.

  9. Spectral-spatial classification combined with diffusion theory based inverse modeling of hyperspectral images

    NASA Astrophysics Data System (ADS)

    Paluchowski, Lukasz A.; Bjorgan, Asgeir; Nordgaard, Hâvard B.; Randeberg, Lise L.

    2016-02-01

    Hyperspectral imagery opens a new perspective for biomedical diagnostics and tissue characterization. High spectral resolution can give insight into optical properties of the skin tissue. However, at the same time the amount of collected data represents a challenge when it comes to decomposition into clusters and extraction of useful diagnostic information. In this study spectral-spatial classification and inverse diffusion modeling were employed to hyperspectral images obtained from a porcine burn model using a hyperspectral push-broom camera. The implemented method takes advantage of spatial and spectral information simultaneously, and provides information about the average optical properties within each cluster. The implemented algorithm allows mapping spectral and spatial heterogeneity of the burn injury as well as dynamic changes of spectral properties within the burn area. The combination of statistical and physics informed tools allowed for initial separation of different burn wounds and further detailed characterization of the injuries in short post-injury time.

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

    PubMed Central

    Zhou, H X; Szabo, A

    1996-01-01

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

  11. Sensitivity of neutron radii in a {sup 208}Pb nucleus and a neutron star to nucleon-{sigma}-{rho} coupling corrections in relativistic mean field theory

    SciTech Connect

    Shen, G.; Li, J.; Hillhouse, G.C.; Meng, J.

    2005-01-01

    We study the sensitivity of the neutron skin thickness S in a {sup 208}Pb nucleus to the addition of nucleon-{sigma}-{rho} coupling corrections to a selection (PK1, NL3, S271, and Z271) of interactions in a relativistic mean field model. The PK1 and NL3 effective interactions lead to a minimum value of S= 0.16 fm in comparison with the original value of S= 0.28 fm. The S271 and Z271 effective interactions yield even smaller values of S= 0.11 fm, which are similar to those for nonrelativistic mean field models. A precise measurement of the neutron radius, and therefore S, in {sup 208}Pb will place an important constraint on both relativistic and nonrelativistic mean field models. We also study the correlation between the radius of a 1.4-solar-mass neutron star and S.

  12. Dynamical corrections to transition state theory for multistate systems: Surface self-diffusion in the rare-event regime

    SciTech Connect

    Voter, A.F.; Doll, J.D.

    1985-01-01

    We derive an expression for the classical rate constant between any two states of a multistate system. The rate is given as the transition state theory rate of escape from the originating state, multiplied by a dynamical correction factor in the form of a time-correlation function which is evaluated using molecular dynamics techniques. This method is desiged to treat cases in which reactive state-change events are so infrequent (e.g., at low temperature) that direct molecular dynamics calculations are unfeasible. In this regime where dynamical recrossings occur much more quickly than the average time between reactive state changes, the concept of a rate between two nonadjacent states becomes meaningful. We apply the method to the surface diffusion of Rh on Rh(100) at the temperatures employed in field ion microscope experiments.

  13. Diffuse reflectance of the ocean - The theory of its augmentation by chlorophyll a fluorescence at 685 nm

    NASA Technical Reports Server (NTRS)

    Gordon, H. R.

    1979-01-01

    The radiative transfer equation is modified to include the effect of fluorescent substances and solved in the quasi-single scattering approximation for a homogeneous ocean containing fluorescent particles with wavelength independent quantum efficiency and a Gaussian shaped emission line. The results are applied to the in vivo fluorescence of chlorophyll a (in phytoplankton) in the ocean to determine if the observed quantum efficiencies are large enough to explain the enhancement of the ocean's diffuse reflectance near 685 nm in chlorophyll rich waters without resorting to anomalous dispersion. The computations indicate that the required efficiencies are sufficiently low to account completely for the enhanced reflectance. The validity of the theory is further demonstrated by deriving values for the upwelling irradiance attenuation coefficient at 685 nm which are in close agreement with the observations.

  14. Comparing Vibrationally Averaged Nuclear Shielding Constants by Quantum Diffusion Monte Carlo and Second-Order Perturbation Theory.

    PubMed

    Ng, Yee-Hong; Bettens, Ryan P A

    2016-03-01

    Using the method of modified Shepard's interpolation to construct potential energy surfaces of the H2O, O3, and HCOOH molecules, we compute vibrationally averaged isotropic nuclear shielding constants ⟨σ⟩ of the three molecules via quantum diffusion Monte Carlo (QDMC). The QDMC results are compared to that of second-order perturbation theory (PT), to see if second-order PT is adequate for obtaining accurate values of nuclear shielding constants of molecules with large amplitude motions. ⟨σ⟩ computed by the two approaches differ for the hydrogens and carbonyl oxygen of HCOOH, suggesting that for certain molecules such as HCOOH where big displacements away from equilibrium happen (internal OH rotation), ⟨σ⟩ of experimental quality may only be obtainable with the use of more sophisticated and accurate methods, such as quantum diffusion Monte Carlo. The approach of modified Shepard's interpolation is also extended to construct shielding constants σ surfaces of the three molecules. By using a σ surface with the equilibrium geometry as a single data point to compute isotropic nuclear shielding constants for each descendant in the QDMC ensemble representing the ground state wave function, we reproduce the results obtained through ab initio computed σ to within statistical noise. Development of such an approach could thereby alleviate the need for any future costly ab initio σ calculations.

  15. High-Order Homogenization Method in Diffusion Theory for Reactor Core Simulation and Design Calculation

    SciTech Connect

    Farzad Rahnema

    2003-09-30

    Most modern nodal methods in use by the reactor vendors and utilities are based on the generalized equivalence theory (GET) that uses homogenized cross sections and flux discontinuity factors. These homogenized parameters, referred to as infinite medium parameters, are precomputed by performing single bundle fine-mesh calculations with zero current boundary conditions. It is known that for configurations in which the node-to-node leakage (e.g., surface current-to-flux ratio) is large the use of the infinite medium parameters could lead to large errors in the nodal solution. This would be the case for highly heterogeneous core configurations, typical of modern reactor core designs.

  16. The role of fluid-wall interactions on confined liquid diffusion using Mori theory

    SciTech Connect

    Devi, Reena; Srivastava, Sunita; Tankeshwar, K.

    2015-07-14

    The dynamics of fluid confined in a nano-channel with smooth walls have been studied through velocity autocorrelation function within the memory function approach by incorporating the atomic level interactions of fluid with the confining wall. Expressions for the second and fourth sum rules of velocity autocorrelation have been derived for nano-channel which involves fluid-fluid and fluid-wall interactions. These expressions, in addition, involve pair correlation function and density profiles. The numerical contributions of fluid-wall interaction to sum rules are found to play a very significant role, specifically at smaller channel width. Results obtained for velocity autocorrelation and self-diffusion coefficient of a fluid confined to different widths of the nanochannel have been compared with the computer simulation results. The comparison shows a good agreement except when the width of the channel is of the order of two atomic diameters, where it becomes difficult to estimate sum rules involving the triplet correlation’s contribution.

  17. Spectra of photons and neutrons generated in a heterogeneous head of a 15 MV LINAC at differents field sizes

    SciTech Connect

    Benites-Rengifo, J. L.; Vega-Carrillo, H. R.; Velazquez-Fernandez, J. B.

    2012-10-23

    Spectra of photons and neutrons were calculated, using the Monte Carlo code MCNP-5 using the e/p/n mode. A heterogeneous model was used to define the linac head where the collimators were modeled to produce five different treatment fields at the isocenter. Photon and neutron spectra were estimated in several points along two directions from the isocenter. The total photon fluence beyond 60 cm behaves according to 1/r{sup 2} rule, while total neutron fluence, beyond 80 cm, can be described by diffusion theory using an infinite plane as a neutron source.

  18. Molecular theory of the tilting transition in smectic liquid crystals with weak layer contraction and diffused cone orientational distribution

    NASA Astrophysics Data System (ADS)

    Osipov, Mikhail; Pająk, Grzegorz

    2012-02-01

    A molecular field theory of the smectic-A-smectic-C transition has been developed for smectics with a diffused cone orientational distribution of molecules (volcano-like distribution function) in the smectic-A phase and anomalously weak layer contraction in the smectic-C phase. Orientational order parameters and smectic layer spacing have been calculated numerically as functions of temperature and compared with the results obtained using a model with a standard Maier-Saupe-type distribution function that has been considered before. A molecular theory of the electroclinic effect in chiral smectics has also been developed using the recently proposed simple biaxial interaction potential. A comparison has been made between the absolute values and temperature variations of the electroclinic coefficient obtained using the volcano model, the model with Maier-Saupe-type distribution, and the orthodox cone model proposed by de Vries. It has been shown that the model with a conventional “sugar loaf” type orientational distribution function in the smectic-A phase is sufficient to describe the main properties of smectics with anomalously weak layer contraction.

  19. Statistical theory of diffusion in concentrated bcc and fcc alloys and concentration dependencies of diffusion coefficients in bcc alloys FeCu, FeMn, FeNi, and FeCr

    NASA Astrophysics Data System (ADS)

    Vaks, V. G.; Khromov, K. Yu.; Pankratov, I. R.; Popov, V. V.

    2016-07-01

    The statistical theory of diffusion in concentrated bcc and fcc alloys with arbitrary pairwise interatomic interactions based on the master equation approach is developed. Vacancy-atom correlations are described using both the second-shell-jump and the nearest-neighbor-jump approximations which are shown to be usually sufficiently accurate. General expressions for Onsager coefficients in terms of microscopic interatomic interactions and some statistical averages are given. Both the analytical kinetic mean-field and the Monte Carlo methods for finding these averages are described. The theory developed is used to describe sharp concentration dependencies of diffusion coefficients in several iron-based alloy systems. For the bcc alloys FeCu, FeMn, and FeNi, we predict the notable increase of the iron self-diffusion coefficient with solute concentration c, up to several times, even though values of c possible for these alloys do not exceed some percent. For the bcc alloys FeCr at high temperatures T ≳ 1400 K, we show that the very strong and peculiar concentration dependencies of both tracer and chemical diffusion coefficients observed in these alloys can be naturally explained by the theory, without invoking exotic models discussed earlier.

  20. Surface diffusion and coverage effect of Li atom on graphene as studied by several density functional theory methods

    NASA Astrophysics Data System (ADS)

    Ji, Zhi; Contreras-Torres, Flavio F.; Jalbout, Abraham F.; Ramírez-Treviño, Alberto

    2013-11-01

    The adsorption of Li atom on graphene is examined using density functional theory methods. Three different adsorption sites are considered, including the on top of a carbon atom (OT), on top of a CC bond (Bri), and on top of a hexagon (Hol), as well as Li adsorbed at different coverage. The Hol site is found to be the most stable, followed by the Bri and OT sites. The order of stabilization is independent of coverage. The localization of Li-graphene interaction at all sites has reverse order with stabilization. The localization will cause different repulsive interaction between Li atoms which is believed to take responsibility for the difference between the charge transfer order and adsorption energy order of Li adsorption at all possible sites. Repulsive interaction also causes the decreasing of adsorption energies of Li at Hol site with increasing coverage, but the corresponding influence is bigger at low coverage range (0.020-0.056 monolayers) than that at high coverage range (0.056-0.250 monolayers). The trend of charge transfer and dipole moment with increasing coverage is also in agreement with that of adsorption energy. It is also found that the distance of Li above graphene will increase with increasing coverage, but a so-called "zigzag" curve appears, which exhibits an oscillatory behavior as a function of increasing coverage. The diffusion of Li atom on graphene is also studied. Li atom migrates from a Hol site to a neighboring Hol site through the Bri site between them is found to be the minimum energy path. Within the studied coverage range, the diffusion barrier decreases with increasing coverage which can be ascribed to the phenomenon of different repulsion interactions when Li atom adsorbs at different sites. The increasing coverage amplified the phenomenon.

  1. Evaluating Students' Understanding of Kinetic Particle Theory Concepts Relating to the States of Matter, Changes of State and Diffusion: A Cross-National Study

    ERIC Educational Resources Information Center

    Treagust, David F.; Chandrasegaran, A. L.; Crowley, Julianne; Yung, Benny H. W.; Cheong, Irene P.-A.; Othman, Jazilah

    2010-01-01

    This paper reports on the understanding of three key conceptual categories relating to the kinetic particle theory: (1) intermolecular spacing in solids, liquids and gases, (2) changes of state and intermolecular forces and (3) diffusion in liquids and gases, amongst 148 high school students from Brunei, Australia, Hong Kong and Singapore using 11…

  2. Using Diffusion of Innovation Theory to Explain the Degree of Faculty Adoption of Web-Based Instruction in a Thai University

    ERIC Educational Resources Information Center

    Intharaksa, Usa

    2009-01-01

    Scope and method of study: Using the framework of Rogers's (1995) Diffusion of Innovation Theory, the purpose of the study is to examine the use of web-based instruction and faculty perceptions of web-based instruction in a Thai university. In this study, interviews with seven participants were used as the primary method to collect data.…

  3. Using the Diffusion of Innovation Theory to Explain the Degree of English Teachers' Adoption of Interactive Whiteboards in the Modern Systems School in Jordan: A Case Study

    ERIC Educational Resources Information Center

    Jwaifell, Mustafa; Gasaymeh, Al-Mothana

    2013-01-01

    This study aimed to explain the use of interactive whiteboards (IWBs) by English female teachers in Modern Systems School in Jordan. Viewed from the lens of Rogers' Diffusion of Innovation Theory, the study examined and reported teachers' use of IWB and its features that have impact on their decisions to adopt it in Modern Systems School . The…

  4. Reactor physics analyses of the advanced neutron source three-element core

    SciTech Connect

    Gehin, J.C.

    1995-08-01

    A reactor physics analysis was performed for the Advanced Neutron Source reactor with a three-element core configuration. The analysis was performed with a two-dimensional r-z 20-energy-group finite-difference diffusion theory model of the 17-d fuel cycle. The model included equivalent r-z geometry representations of the central control rods, the irradiation and production targets, and reflector components. Calculated quantities include fuel cycle parameters, fuel element power distributions, unperturbed neutron fluxes in the reflector and target regions, reactivity perturbations, and neutron kinetics parameters.

  5. A numerical theory of lattice gas and lattice Boltzmann methods in the computation of solutions to nonlinear advective-diffusive systems

    SciTech Connect

    Elton, A.B.H.

    1990-09-24

    A numerical theory for the massively parallel lattice gas and lattice Boltzmann methods for computing solutions to nonlinear advective-diffusive systems is introduced. The convergence theory is based on consistency and stability arguments that are supported by the discrete Chapman-Enskog expansion (for consistency) and conditions of monotonicity (in establishing stability). The theory is applied to four lattice methods: Two of the methods are for some two-dimensional nonlinear diffusion equations. One of the methods is for the one-dimensional lattice method for the one-dimensional viscous Burgers equation. And one of the methods is for a two-dimensional nonlinear advection-diffusion equation. Convergence is formally proven in the L{sub 1}-norm for the first three methods, revealing that they are second-order, conservative, conditionally monotone finite difference methods. Computational results which support the theory for lattice methods are presented. In addition, a domain decomposition strategy using mesh refinement techniques is presented for lattice gas and lattice Boltzmann methods. The strategy allows concentration of computational resources on regions of high activity. Computational evidence is reported for the strategy applied to the lattice gas method for the one-dimensional viscous Burgers equation. 72 refs., 19 figs., 28 tabs.

  6. Validation Studies Of Quasilinear Theory Of Resonant Diffusion In The Ion Cyclotron Range Of Frequencies By Comparison With Exact Integration Results

    NASA Astrophysics Data System (ADS)

    Harvey, R. W.; Petrov, Yu.; Jaeger, E. F.

    2011-12-01

    The validity of ICRF quasilinear (QL) diffusion theory is examined in the context of the C-Mod ICRF experiment by comparison with coefficients calculated from Lorentz orbits in AORSA full-wave fields, using the DC (Diffusion Coefficient) code. The "exact" Lorentz orbit results largely agree with QL theory, although there are differences in detail. Overall conclusions are that approximation of the excited RF by a single toroidal mode leads, in the Lorentz calculation, to strong correlation pitch angle modification of the RF diffusion; this thereby modifies self-consistent radial power absorption calculated with the CQL3D Fokker-Planck code. However, inclusion of a full toroidal mode spectrum results in most, but not all, correlations ceasing to exist. Hence, modeling of ICRF power absorption using a correlation-less QL theory is reasonably accurate, even with a suitably chosen single toroidal mode. Multi-mode correlations remain, particularly for neighboring resonances such as when the trapped particles pass successively through resonance. Differences between "exact" and QL theory lead to modification of calculated, perpendicular viewing NPA spectra.

  7. Perforated diode neutron sensors

    NASA Astrophysics Data System (ADS)

    McNeil, Walter J.

    A novel design of neutron sensor was investigated and developed. The perforated, or micro-structured, diode neutron sensor is a concept that has the potential to enhance neutron sensitivity of a common solid-state sensor configuration. The common thin-film coated diode neutron sensor is the only semiconductor-based neutron sensor that has proven feasible for commercial use. However, the thin-film coating restricts neutron counting efficiency and severely limits the usefulness of the sensor. This research has shown that the perforated design, when properly implemented, can increase the neutron counting efficiency by greater than a factor of 4. Methods developed in this work enable detectors to be fabricated to meet needs such as miniaturization, portability, ruggedness, and adaptability. The new detectors may be used for unique applications such as neutron imaging or the search for special nuclear materials. The research and developments described in the work include the successful fabrication of variant perforated diode neutron detector designs, general explanations of fundamental radiation detector design (with added focus on neutron detection and compactness), as well as descriptive theory and sensor design modeling useful in predicting performance of these unique solid-state radiation sensors. Several aspects in design, fabrication, and operational performance have been considered and tested including neutron counting efficiency, gamma-ray response, perforation shapes and depths, and silicon processing variations. Finally, the successfully proven technology was applied to a 1-dimensional neutron sensor array system.

  8. Silver and cesium diffusion dynamics at the β-SiC Σ5 grain boundary investigated with density functional theory molecular dynamics and metadynamics.

    PubMed

    Rabone, Jeremy; López-Honorato, Eddie; Van Uffelen, Paul

    2014-02-01

    The diffusion and release of silver-110m, a strong γ-radiation emitter, through silicon carbide in coated nuclear fuel particles has remained an unsolved topic since it was first observed 40 years ago. The challenge remains to explain why, contrary to other elements, silver is capable of escaping the ceramic diffusion barriers. The current work investigates the underlying differences in the diffusion of silver and cesium along a symmetric tilt Σ5 grain boundary of β-SiC through accelerated density functional theory molecular dynamics simulations. The energy barriers extracted from the simulations give diffusion coefficients that are in reasonable agreement with experiment for silver (2.19 × 10(-19) to 1.05 × 10(-17) m(2) s(-1)), but for cesium the equivalent calculated coefficients for this mechanism are much smaller (3.85 × 10(-23) to 2.15 × 10(-21) m(2) s(-1)) than those found experimentally. Analysis of the simulated structures and electron densities and comparisons with the calculations of other researchers suggest that diffusion of silver and cesium in β-SiC proceeds via different mechanisms. The mechanisms of cesium diffusion appear to be dominated by its relatively large size and repulsive interactions with the silicon and carbon atoms; β-SiC grain boundaries still offer higher energy barriers to diffusion. Silver, on the other hand, is not only smaller in size but, as we show for the first time, can also participate in weak bonding interactions with the host atoms where favorable geometries allow, thus reducing the energy barrier and enhancing the rate of diffusion. PMID:24422635

  9. A Diffuse Interface Model for solid-liquid-air dissolution problems based on a porous medium theory

    NASA Astrophysics Data System (ADS)

    Luo, H.; Quintard, M.; Debenest, G.; Laouafa, F.

    2011-12-01

    The underground cavities may be dissolved by the flows of groundwater where the dissolution mainly happens at the liquid-solid interface. In many real cases, the cavities are not occupied only by the water, but also the gas phase, e.g., air, or other gases. In this case, there are solid-liquid-gas three phases. Normally, the air does not participate the dissolution. However, it may influence the dissolution as the position of the solid-liquid interface may gradually lower down with the dissolution process. Simulating the dissolution problems with multi- moving interfaces is a difficult task but rather interesting to study the evolution of the underground cavities. In this paper, we propose a diffuse interface model (DIM) to simulate the three-phase dissolution problem, based on a porous medium theory and a volume averaging theory te{Whitaker1999,Golfier2002,Quintard1994}. The interface is regarded as a continuous layer where the phase indicator (mainly for solid-liquid interface) and phase saturation (mainly for liquid-gas interface) vary rapidly but smoothly. The DIM equations enable us to simulate the moving interface under a fixed mesh system, instead of a deformed or moving mesh. Suppose we have three phases, solid, liquid and gas. The solid phase contains only species A. The gas phase contains only the air. The volume averaging theory is used to upscale the balance equations. The final DIM equations are presented below. The balance equation of solid phase can be written as {partialrho_{s}(1-\\varepsilon_{f})}/{partial t}=-K_{sl} where \\varepsilonf represents the volume fraction of the fluids (liquid+gas) and Ksl refers to the mass exchange between the solid phase and the liquid phase. Ksl cam be expressed as K_{sl}=rho_{l}alpha(omega_{eq}-Omega_{Al}). The balance equations of liquid phase can be written as {partialrho_{l}\\varepsilon_{f}S_{l}}/{partial t}+nabla\\cdot(rho_{l}{V}_{l})= K_{sl}. The balance equation of liquid phase can be written as {partialrho

  10. Fully quantum mechanical calculation of the diffusivity of hydrogen in iron using the tight-binding approximation and path integral theory

    NASA Astrophysics Data System (ADS)

    Katzarov, Ivaylo H.; Pashov, Dimitar L.; Paxton, Anthony T.

    2013-08-01

    We present calculations of free energy barriers and diffusivities as functions of temperature for the diffusion of hydrogen in α-Fe. This is a fully quantum mechanical approach since the total energy landscape is computed using a self-consistent, transferable tight binding model for interstitial impurities in magnetic iron. Also the hydrogen nucleus is treated quantum mechanically and we compare here two approaches in the literature both based in the Feynman path integral formulation of statistical mechanics. We find that the quantum transition state theory which admits greater freedom for the proton to explore phase space gives result in better agreement with experiment than the alternative which is based on fixed centroid calculations of the free energy barrier. This will have an impact on future modeling and the simulation of hydrogen trapping and diffusion.

  11. Systematic derivation of reaction-diffusion equations with distributed delays and relations to fractional reaction-diffusion equations and hyperbolic transport equations: Application to the theory of Neolithic transition

    NASA Astrophysics Data System (ADS)

    Vlad, Marcel Ovidiu; Ross, John

    2002-12-01

    We introduce a general method for the systematic derivation of nonlinear reaction-diffusion equations with distributed delays. We study the interactions among different types of moving individuals (atoms, molecules, quasiparticles, biological organisms, etc). The motion of each species is described by the continuous time random walk theory, analyzed in the literature for transport problems, whereas the interactions among the species are described by a set of transformation rates, which are nonlinear functions of the local concentrations of the different types of individuals. We use the time interval between two jumps (the transition time) as an additional state variable and obtain a set of evolution equations, which are local in time. In order to make a connection with the transport models used in the literature, we make transformations which eliminate the transition time and derive a set of nonlocal equations which are nonlinear generalizations of the so-called generalized master equations. The method leads under different specified conditions to various types of nonlocal transport equations including a nonlinear generalization of fractional diffusion equations, hyperbolic reaction-diffusion equations, and delay-differential reaction-diffusion equations. Thus in the analysis of a given problem we can fit to the data the type of reaction-diffusion equation and the corresponding physical and kinetic parameters. The method is illustrated, as a test case, by the study of the neolithic transition. We introduce a set of assumptions which makes it possible to describe the transition from hunting and gathering to agriculture economics by a differential delay reaction-diffusion equation for the population density. We derive a delay evolution equation for the rate of advance of agriculture, which illustrates an application of our analysis.

  12. 1,2,3-D Diffusion Depletion Multi-Group

    1992-04-20

    CITATION is designed to solve problems using the finite difference representation of neutron diffusion theory, treating up to three space dimensions with arbitrary group to group scattering. X-y-z, theta-r-z, hexagonal z, and triagonal z geometries may be treated. Depletion problems may be solved and fuel managed for multi-cycle analysis. Extensive first order perturbation results may be obtained given microscopic data and nuclide concentrations. Statics problems may be solved and perturbation results obtained with microscopic data.

  13. The Adoption and Diffusion of eLearning in UK Universities: A Comparative Case Study Using Giddens's Theory of Structuration

    ERIC Educational Resources Information Center

    Hardaker, Glenn; Singh, Gurmak

    2011-01-01

    Purpose: This exploratory study seeks to identify the factors that influence the adoption and diffusion of instructional technology at five prominent universities in the UK. The study aims to examine the organisational factors that enable and inhibit organisational adoption and diffusion of innovation. Design/methodology/approach: A qualitative…

  14. Density functional theory study of Li, Na, and Mg intercalation and diffusion in MoS2 with controlled interlayer spacing

    NASA Astrophysics Data System (ADS)

    Shuai, Jing; Deog Yoo, Hyun; Liang, Yanliang; Li, Yifei; Yao, Yan; Grabow, Lars C.

    2016-06-01

    Layered materials, such as the transition metal dichalcogenide molybdenum disulfide (MoS2), are promising materials for ion storage in electrodes of rechargeable batteries. To extend the application range of these materials to ions beyond lithium-ions, we used van der Waals corrected density functional theory simulations to study the intercalation and diffusion of lithium (Li), sodium (Na), and magnesium (Mg) in the 2H structure of MoS2 as a function of interlayer spacing. All three species exhibit an optimal intercalation energy, which is reached at about 11% expansion for Li and Mg, and 23% expansion for Na. Similarly, the slow diffusion kinetics of large Na and divalent Mg-ions can be improved by layer expansion. When the interlayer spacing is increased by about 35% from its equilibrium value, the diffusion of Na and Mg-ions becomes more facile than the diffusion of small, monovalent Li-ions, with diffusion barriers similar to those of Li in graphene. Our results indicate that interlayer expansion is a promising technique to improve intercalation kinetics and thermodynamics for large and/or multivalent ions in MoS2, which can be a major limitation to battery performance. The rationalization of our results in terms of bonding geometries forms the basis of a battery electrode design framework with applications for a wide range of layered materials.

  15. Investigation of condensed matter by means of elastic thermal-neutron scattering

    NASA Astrophysics Data System (ADS)

    Abov, Yu. G.; Dzheparov, F. S.; Elyutin, N. O.; Lvov, D. V.; Tyulyusov, A. N.

    2016-07-01

    The application of elastic thermal-neutron scattering in investigations of condensed matter that were performed at the Institute for Theoretical and Experimental Physics is described. An account of diffraction studies with weakly absorbing crystals, including studies of the anomalous-absorption effect and coherent effects in diffuse scattering, is given. Particular attention is given to exposing the method of multiple small-angle neutron scattering (MSANS). It is shown how information about matter inhomogeneities can be obtained by this method on the basis of Molière's theory. Prospects of the development of this method are outlined, and MSANS theory is formulated for a high concentration of matter inhomogeneities.

  16. Diffuse radiation

    NASA Technical Reports Server (NTRS)

    1981-01-01

    A diffuse celestial radiation which is isotropic at least on a course scale were measured from the soft X-ray region to about 150 MeV, at which energy the intensity falls below that of the galactic emission for most galactic latitudes. The spectral shape, the intensity, and the established degree of isotropy of this diffuse radiation already place severe constraints on the possible explanations for this radiation. Among the extragalactic theories, the more promising explanations of the isotropic diffuse emission appear to be radiation from exceptional galaxies from matter antimatter annihilation at the boundaries of superclusters of galaxies of matter and antimatter in baryon symmetric big bang models. Other possible sources for extragalactic diffuse gamma radiation are discussed and include normal galaxies, clusters of galaxies, primordial cosmic rays interacting with intergalactic matter, primordial black holes, and cosmic ray leakage from galaxies.

  17. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous. PMID:21867316

  18. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  19. Density functional theory study of the mechanism of Li diffusion in rutile RuO{sub 2}

    SciTech Connect

    Jung, Jongboo; Cho, Maenghyo; Zhou, Min

    2014-01-15

    First-principle calculations are carried out to study the diffusion of Li ions in rutile structure RuO{sub 2}, a material for positive electrodes in rechargeable Li ion batteries. The calculations focus on migration pathways and energy barriers for diffusion in Li-poor and Li-rich phases using the Nudged Elastic Band Method. Diffusion coefficients estimated based on calculated energy barriers are in good agreement with experimental values reported in the literature. The results confirm the anisotropic nature of diffusion of Li ions in one-dimensional c channels along the [001] crystalline direction of rutile RuO{sub 2} and show that Li diffusion in the Li-poor phase is faster than in the Li-rich phase. The findings of fast Li diffusion and feasible Li insertion at low temperatures in the host rutile RuO{sub 2} suggest this material is a good ionic conductor for Li transport. The finding also suggests possible means for enhancing the performance of RuO{sub 2}-based electrode materials.

  20. Carbon reaction and diffusion on Ni(111), Ni(100), and Fe(110): Kinetic parameters from x-ray photoelectron spectroscopy and density functional theory analysis

    SciTech Connect

    Wiltner, A.; Linsmeier, Ch.; Jacob, T.

    2008-08-28

    This paper investigates the reactivity of elemental carbon films deposited from the vapor phase with Fe and Ni substrates at room temperature. X-ray photoelectron spectroscopy (XPS) measurements are presented as a method for evaluating kinetic reaction data. Carbon films are deposited on different surface orientations representing geometries from a dense atom packing as in fcc (111) to an open surface structure as in fcc (100). During annealing experiments several reactions are observed (carbon subsurface diffusion, carbide formation, carbide decomposition, and graphite ordering). These reactions and the respective kinetic parameters are analyzed and quantified by XPS measurements performed while annealing at elevated temperatures (620-820 K). The resulting activation barriers for carbon subsurface diffusion are compared with calculated values using the density functional theory. The determined kinetic parameters are used to reproduce the thermal behavior of carbon films on nickel surfaces.

  1. Extension of the diffusion controlled electron transfer theory for intermittent fluorescence of quantum dots: inclusion of biexcitons and the difference of "on" and "off" time distributions.

    PubMed

    Zhu, Zhaoyan; Marcus, R A

    2014-12-21

    The equations for the diffusion controlled electron transfer (DCET) theory of quantum dot blinking are extended to include biexcitons. In contrast to excitons, which undego resonant light to dark transitions, the biexcitons, having a much larger total energy, undergo a Fermi's Golden rule type transfer (many acceptance states). The latter immediately gives rise to an exponential tail for the light state, and it is explained why the dark state power law behavior is unaffected. Results are given for both continuous and pulsed excitation. The typical -3/2 power law for the light state at low light intensities, and for the dark state at all intensities, as well as dependence of the exponential tail on the square of the light intensity, and a decrease of the power in the power law for the light state from -3/2 to less negative values with increasing light intensity are all consistent with the theory. The desirability of measuring the dependence of the spectral diffusion coefficient on light intensity at room temperature as a test of several aspects of the theory is noted.

  2. Density functional theory metadynamics of silver, caesium and palladium diffusion at β-SiC grain boundaries

    NASA Astrophysics Data System (ADS)

    Rabone, Jeremy; López-Honorato, Eddie

    2015-03-01

    The use of silicon carbide in coated nuclear fuel particles relies on this materials impermeability towards fission products under normal operating conditions. Determining the underlying factors that control the rate at which radionuclides such as Silver-110m and Caesium-137 can cross the silicon carbide barrier layers, and at which fission products such as palladium could compromise or otherwise alter the nature of this layer, are of paramount importance for the safety of this fuel. To this end, DFT-based metadynamics simulations are applied to the atomic diffusion of silver, caesium and palladium along a Σ5 grain boundary and to palladium along a carbon-rich Σ3 grain boundary in cubic silicon carbide at 1500 K. For silver, the calculated diffusion coefficients lie in a similar range (7.04 × 10-19-3.69 × 10-17 m2 s-1) as determined experimentally. For caesium, the calculated diffusion rates are very much slower (3.91 × 10-23-2.15 × 10-21 m2 s-1) than found experimentally, suggesting a different mechanism to the simulation. Conversely, the calculated atomic diffusion of palladium is very much faster (7.96 × 10-11-7.26 × 10-9 m2 s-1) than the observed penetration rate of palladium nodules. This points to the slow dissolution and rapid regrowth of palladium nodules as a possible ingress mechanism in addition to the previously suggested migration of entire nodules along grain boundaries. The diffusion rate of palladium along the Σ3 grain boundary was calculated to be slightly slower (2.38 × 10-11-8.24 × 10-10 m2 s-1) than along the Σ5 grain boundary. Rather than diffusing along the precise plane of the boundary, the palladium atom moves through the bulk layer immediately adjacent to the boundary as there is greater freedom to move.

  3. A theoretical study of rotational and translational diffusion dynamics of molecules with a six-fold point symmetry adsorbed on a hexagonal lattice by neutron scattering.

    PubMed

    Calvo-Almazán; Miret-Artés; Fouquet

    2012-03-14

    A complete analytical model for the rotational and translational diffusion of molecules with a six-fold point symmetry on a hexagonal lattice is presented. It can be applied, in particular, to the diffusion of benzene molecules adsorbed flat on the basal plane of graphite in the case of incoherent scattering. Under the weak hindered approximation, the classical mechanics framework and making use of the van Hove formalism of correlation functions, the intermediate scattering function and its Fourier transform, the scattering law, are both obtained. They can be expressed as sums of exponential decays or Lorentzian functions, respectively, containing the contribution of each of the dynamical processes taking place. In the case of benzene lying flat on the substrate we expect translational diffusion, continuous rotations of isolated molecules and hindered rotations of molecules within clusters. Each particular diffusive mechanism can be recognized owing to its particular signature in the dependence of the quasi-elastic broadening on the momentum transfer.

  4. Theory and use of GIRAFFE for analysis of decay characteristics of delayed-neutron precursors in an LMFBR

    SciTech Connect

    Gross, K. C.

    1980-07-01

    The application of the computer code GIRAFFE (General Isotope Release Analysis For Failed Elements) written in FORTRAN IV is described. GIRAFFE was designed to provide parameter estimates of the nonlinear discrete-measurement models that govern the transport and decay of delayed-neutron precursors in a liquid-metal fast breeder reactor (LMFBR). The code has been organized into a set of small, relatively independent and well-defined modules to facilitate modification and maintenance. The program logic, the numerical techniques, and the methods of solution used by the code are presented, and the functions of the MAIN program and of each subroutine are discussed.

  5. Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

    NASA Technical Reports Server (NTRS)

    Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.

    2001-01-01

    Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

  6. Concepts of diffusion theory and a graphic approach to the description of the epidemic flow of contagious disease.

    PubMed Central

    Angulo, J J; Pederneiras, C A; Ebner, W; Kimura, E M; Megale, P

    1980-01-01

    Concepts used to analyze sociological, geographic, and economic processes were adapted to an examination of the diffusion of contagious disease. The example used in applying these concepts was an epidemic of variola minor which continued for 12 months in an area of 1,006 square kilometers centered on the city of Bragança Paulista, Sao Paulo State (Brazil). A graphic procedure is proposed that depicts aspects of the epidemic flow of person-to-person transmission. Spatial, temporal, and sociological characteristics of the epidemic flow are disclosed in sequential diagrams. They represent geographic areas as well as schools and agglomerates of households affected by the epidemic at a given time, the mode of diffusion, and the source of the infection. The procedure yielded indirect evidence of the role of school pupils as introducers of variola minor into households and school classes. All subdivisions of the city, six of the seven rural districts, and four of the five elementary schools were affected through hierarchical (between-areas) diffusion. Subsequently, there was neighborhood (within-area) diffusion, and this resulted in new interactions between areas. PMID:7422812

  7. CRITICAL EVALUATION OF THE DIFFUSION HYPOTHESIS IN THE THEORY OF POROUS MEDIA VOLATILE ORGANIC COMPOUND (VOC) SOURCES AND SINKS

    EPA Science Inventory

    The paper proposes three alternative, diffusion-limited mathematical models to account for volatile organic compound (VOC) interactions with indoor sinks, using the linear isotherm model as a reference point. (NOTE: Recent reports by both the U.S. EPA and a study committee of the...

  8. Averaging Horizontal-to-Vertical (H/V) Spectral Ratios of Earthquake Motions for Velocity Inversions Based on Diffuse Field Theory for Plane Waves

    NASA Astrophysics Data System (ADS)

    Matsushima, S.; Sanchez-Sesma, F. J.; Kawase, H.

    2010-12-01

    In this work we explore the application of diffuse field concepts to analyze strong motion records at a site in which site effects can be described using a one dimensional (1D) model. For this case we derived a corollary of Claerbout (1968) result for 1D layered medium. We found that the imaginary part of Green function at the free surface is proportional to the square of the absolute value of the corresponding transfer function for a plane, vertically incident wave with unit amplitude. Average strong ground motion in a "sufficiently" flat layered site will be statistically equivalent. We may conceive the illumination as produced by incident plane waves. They represent the most important part of earthquake ground motions. Their associated motions, being multiple scattered, are formed of waves that sample significant portions of the considered area. This is a distinctive feature of earthquake motions, for which the excited domain is large, basically from the source to the receiver. For a set of incoming plane waves (of P, SV, and SH types) with varying azimuths and incidence angles we assume that the ground motion will be spatially homogeneous in a statistical sense. In other words, the average of normalized ground motion spectral densities will depend only on depth. Therefore, we can apply a 1D description of wave propagation for a diffuse (average) field of ground motions. To prove the above hypothesis for H/V ratios of earthquake ground motions, we first show a comparison of averaged synthetics of 1D underground structures with a corresponding simple theoretical prediction from 1D transfer functions. After summing up a few hundreds of synthetics with different angles of incidences, azimuths, and polarizations, we can obtain identical H/V ratios that the simple theory of diffuse field predicts. Then we show several examples of H/V ratios for actual seismic motions observed in Japan. We found that the earthquake H/V ratios are quite stable (and converging rapidly

  9. User's manual for FENAT: a two-dimensional multigroup diffusion theory Finite Element Neutral Atom Transport code

    SciTech Connect

    Hasan, M.Z.

    1986-07-01

    FENAT solves the two-dimensional energy dependent diffusion equation in Cartesian (X-Y) and cylindrical/toroidal (R-Z) coordinates. The boundary conditions allowed are: vacuum, reflection, albedo and surface source. The energy variable is treated by multigroup method. The resulting multigroup diffusion equation is solved by finite element Galerkin's method with triangular element discretization of the spatial domain. The algebraic matrix equation is solved by the direct method of Crout variation of Gauss' elimination. Dynamic memory allocation has been used so that the maximum problem size is limited by the size of active core storage of the machine. When necessary, the global matrix is stored in a binary disk file. FENAT is particularly suitable for the transport of neutral atoms in fusion plasmas.

  10. Vibrational Density of States of Strongly H-Bonded Interfacial Water: Insights from Inelastic Neutron Scattering and Theory

    SciTech Connect

    Wang, Hsiu-Wen; Dellostritto, Mark J; Kumar, Nitin; Kolesnikov, Alexander I; Kent, Paul R; Kubicki, James D.; Wesolowski, David J; Sofo, Jorge O.

    2014-01-01

    The vibrational dynamics of water and OH sorbed on SnO2 nanoparticles were probed with inelastic neutron scattering and analyzed with the assistance of ab-initio molecular dynamics. The combined analysis points to the existence of very strong hydrogen bonds at the surface with a formation enthalpy twice the average value for liquid water. This unusually large interaction results in (i) decoupling of the hydrated surface from the water system due to an epitaxially-induced screening layer, resulting in an apparent ice-like INS signal at multilayer coverage, (ii) splitting of OH wagging modes that can be used as an experimental indication of the strength of the surface hydrogen bonds, and (iii) high proton exchange rates and high degree of water dissociation at the interface. Our analysis provides general guidance into the tuning of surface hydrophobicity at the molecular level.

  11. Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory

    SciTech Connect

    Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.

    2015-01-15

    CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as A{sub a} site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from A{sub a} (occupied) to A{sub a} (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.

  12. Theory of charge transport in diffusive normal metal/conventional superconductor point contacts in the presence of magnetic impurity

    NASA Astrophysics Data System (ADS)

    Yokoyama, T.; Tanaka, Y.; Golubov, A. A.; Inoue, J.; Asano, Y.

    2006-01-01

    Charge transport in the diffusive normal metal/insulator/s-wave superconductor junctions is studied in the presence of the magnetic impurity for various situations, where we have used the Usadel equation with Nazarov's generalized boundary condition. It is revealed that the magnetic impurity scattering suppresses the proximity effect. Wide variety of the line shapes of the tunneling conductance is obtained. Only for high transparent junction the normalized conductance around zero voltage can be enhanced by the magnetic impurity scattering.

  13. Cooling of neutron stars

    NASA Technical Reports Server (NTRS)

    Pethick, C. J.

    1992-01-01

    It is at present impossible to predict the interior constitution of neutron stars based on theory and results from laboratory studies. It has been proposed that it is possible to obtain information on neutron star interiors by studying thermal radiation from their surfaces, because neutrino emission rates, and hence the temperature of the central part of a neutron star, depend on the properties of dense matter. The theory predicts that neutron stars cool relatively slowly if their cores are made up of nucleons, and cool faster if the matter is in an exotic state, such as a pion condensate, a kaon condensate, or quark matter. This view has recently been questioned by the discovery of a number of other processes that could lead to copious neutrino emission and rapid cooling.

  14. Viscoelastic hydrodynamic interactions and anomalous CM diffusion in polymer melts

    NASA Astrophysics Data System (ADS)

    Meyer, Hendrik

    We have recently discovered that anomalous center-of-mass (CM) diffusion occurring on intermediate time scales in polymer melts can be explained by the interplay of viscoelastic and hydrodynamic interactions (VHI). The theory has been solved for unentangled melts in 3D and 2D and excellent agreement between theory and simulation is found, also for alkanes with a force field optimized from neutron scattering. The physical mechanism considers that hydrodynamic interactions are not screened: they are time dependent because of increasing viscosity before the terminal relaxation time. The VHI are generally active in melts of any topology. They are most important at early times well before the terminal relaxation time and thus affect the nanosecond time range typically observable in dynamic neutron scattering experiments. We illustrate the effects with recent molecular dynamics simulations of linear, ring and star polymers. Work performed with A.N. Semenov and J. Farago.

  15. Using Diffuse Field Theory to Interpret the H/V Spectral Ratio from Earthquake Records in a Mexico City site

    NASA Astrophysics Data System (ADS)

    Salinas, V.; Luzón, F.; Sanchez-Sesma, F. J.; Kawase, H.; Matsushima, S.; Suárez, M.; Cuéllar, A.; Rivet, D. N.; Campillo, M.

    2011-12-01

    It has been recently demonstrated that averaging the autocorrelations of ground motions within a diffuse field lead to the imaginary part of the corresponding Green's functions. This diffuse field assumption (DFA) is at the core of the proposed explanation for the microtremor H/V spectral ratio. An application was completely developed for a layered medium (Sánchez-Sesma et al., 2011). On the other hand, for sufficiently deep sources producing almost no surface waves at a 1D configuration, the 1D-DFA allows to relate the average H/V spectral ratio from earthquakes in terms of 1D Green's functions (Kawase et al., 2011). In this work we consider earthquake data recorded at the Cibeles station belonging to the Mexico City Accelerometric Network. This site is in very soft ground and more than one hundred earthquakes of various magnitudes and locations have been recorded there between 1996 and 2008. A priori we did not know if the set of records could be regarded as realizations of a diffuse field. In order to explore the characteristics of this data set, we did the averages of the autocorrelations of windows for these earthquakes. We consider various receiver-source configurations in terms of theoretical incidence angle and consider separately, when that was possible, P, S and Coda waves. We made a parametric study considering the various attributes for this data set. Although we expected significant differences for the, say, S and Coda windows, we found instead remarkable consistency of H/V for the various combinations, perhaps with some deviations for P windows. Moreover, we found that the H/V of the recorded data matches very well with the theoretical spectra computed using the imaginary part of 3D Green's function for the standard layered structure of the site. This fact strongly suggests that, thanks to multiple scattering, the seismic fields from various earthquakes can be regarded as realizations of 3D diffuse fields. Comparisons are provided for microtremor

  16. Multicomponent diffusion revisited

    NASA Astrophysics Data System (ADS)

    Lam, S. H.

    2006-07-01

    The derivation of the multicomponent diffusion law is revisited. Following Furry [Am. J. Phys. 16, 63 (1948)], Williams [Am. J. Phys. 26, 467 (1958); Combustion Theory, 2nd ed. (Benjamin/Cummings , Menlo Park, CA,1985)] heuristically rederived the classical kinetic theory results using macroscopic equations, and pointed out that the dynamics of the mixture fluid had been assumed inviscid. This paper generalizes the derivation, shows that the inviscid assumption can easily be relaxed to add a new term to the classical diffusion law, and the thermal diffusion term can also be easily recovered. The nonuniqueness of the multicomponent diffusion coefficient matrix is emphasized and discussed.

  17. The distributed-order fractional diffusion-wave equation of groundwater flow: Theory and application to pumping and slug tests

    NASA Astrophysics Data System (ADS)

    Su, Ninghu; Nelson, Paul N.; Connor, Sarah

    2015-10-01

    We present a distributed-order fractional diffusion-wave equation (dofDWE) to describe radial groundwater flow to or from a well, and three sets of solutions of the dofDWE for flow from a well for aquifer tests: one for pumping tests, and two for slug tests. The dofDWE is featured by two temporal orders of fractional derivatives, β1 and β2, which characterise small and large pores, respectively. By fitting the approximate solutions of the dofDWE to data from slug tests in the field, we determined the effective saturated hydraulic conductivity, Ke, transmissivity, Tf, and the order of fractional derivatives, β2 in one test and β2 and β1 in the second test. We found that the patterns of groundwater flow from a well during the slug tests at this site belong to the class of sub-diffusion with β2 < 1 and β1 < 1 using both the short-time and large-time solutions. We introduce the concept of the critical time to link Ke as a function of β2 and β1. The importance of the orders of fractional derivatives is obvious in the approximate solutions: for short time slug tests only the parameter β2 for flow in large pores is present while for long time slug tests the parameters β2 and β1 are present indicating both large and small pores are functioning.

  18. Limited information estimation of the diffusion-based item response theory model for responses and response times.

    PubMed

    Ranger, Jochen; Kuhn, Jörg-Tobias; Szardenings, Carsten

    2016-05-01

    Psychological tests are usually analysed with item response models. Recently, some alternative measurement models have been proposed that were derived from cognitive process models developed in experimental psychology. These models consider the responses but also the response times of the test takers. Two such models are the Q-diffusion model and the D-diffusion model. Both models can be calibrated with the diffIRT package of the R statistical environment via marginal maximum likelihood (MML) estimation. In this manuscript, an alternative approach to model calibration is proposed. The approach is based on weighted least squares estimation and parallels the standard estimation approach in structural equation modelling. Estimates are determined by minimizing the discrepancy between the observed and the implied covariance matrix. The estimator is simple to implement, consistent, and asymptotically normally distributed. Least squares estimation also provides a test of model fit by comparing the observed and implied covariance matrix. The estimator and the test of model fit are evaluated in a simulation study. Although parameter recovery is good, the estimator is less efficient than the MML estimator.

  19. Retrieving the optical parameters of biological tissues using diffuse reflectance spectroscopy and Fourier series expansions. I. theory and application

    PubMed Central

    Muñoz Morales, Aarón A.; Vázquez y Montiel, Sergio

    2012-01-01

    The determination of optical parameters of biological tissues is essential for the application of optical techniques in the diagnosis and treatment of diseases. Diffuse Reflection Spectroscopy is a widely used technique to analyze the optical characteristics of biological tissues. In this paper we show that by using diffuse reflectance spectra and a new mathematical model we can retrieve the optical parameters by applying an adjustment of the data with nonlinear least squares. In our model we represent the spectra using a Fourier series expansion finding mathematical relations between the polynomial coefficients and the optical parameters. In this first paper we use spectra generated by the Monte Carlo Multilayered Technique to simulate the propagation of photons in turbid media. Using these spectra we determine the behavior of Fourier series coefficients when varying the optical parameters of the medium under study. With this procedure we find mathematical relations between Fourier series coefficients and optical parameters. Finally, the results show that our method can retrieve the optical parameters of biological tissues with accuracy that is adequate for medical applications. PMID:23082281

  20. Diffuse magnetic neutron scattering in the highly frustrated double perovskite Ba2YRuO6

    SciTech Connect

    Nilsen, Gøran. J.; Thompson, Corey M.; Ehlers, Georg; Marjerrison, Casey A.; Greedan, John E.

    2015-02-23

    Here we investigated diffuse magnetic scattering in the highly frustrated double perovskite Ba2YRuO6 using polarized neutrons. Consistent with previous reports, the material shows two apparent transitions at 47 and 36 K to an eventual type I face-centered-cubic magnetic ground state. The (100) magnetic reflection shows different behavior from the five other observed reflections upon heating from 1.8 K, with the former broadening well beyond the resolution limit near 36 K. Closer examination of the latter group reveals a small, but clear, increase in peak widths between 36 and 47 K, indicating that this regime is dominated by short-range spin correlations. Diffuse magnetic scattering persists above 47 K near the position of (100) to at least 200 K, consistent with strong frustration. Reverse Monte Carlo (RMC) modeling of the diffuse scattering from 45 to 200 K finds that the spin-spin correlations between nearest and next-nearest neighbors are antiferromagnetic and ferromagnetic, respectively, at temperatures near the upper ordering temperature, but both become antiferromagnetic and of similar magnitude above 100 K. The significance of this unusual crossover is discussed in light of the super-superexchange interactions between nearest and next-nearest neighbors in this material and the demands of type I order. The dimensionality of the correlations is addressed by reconstructing the scattering in the (hk0) plane using the RMC spin configurations. This indicates that one-dimensional spin correlations dominate at temperatures close to the first transition. In addition, a comparison between mean-field calculations and (hk0) scattering implies that further neighbor couplings play a significant role in the selection of the ground state. Finally, the results and interpretation are compared with those recently published for monoclinic Sr2YRuO6, and similarities and differences are emphasized.

  1. Diffusion in membranes: Toward a two-dimensional diffusion map

    NASA Astrophysics Data System (ADS)

    Toppozini, Laura; Garcia-Sakai, Victoria; Bewley, Robert; Dalgliesh, Robert; Perring, Toby; Rheinstädter, Maikel C.

    2015-01-01

    For decades, quasi-elastic neutron scattering has been the prime tool for studying molecular diffusion in membranes over relevant nanometer distances. These experiments are essential to our current understanding of molecular dynamics of lipids, proteins and membrane-active molecules. Recently, we presented experimental evidence from X-ray diffraction and quasi-elastic neutron scattering demonstrating that ethanol enhances the permeability of membranes. At the QENS 2014/WINS 2014 conference we presented a novel technique to measure diffusion across membranes employing 2-dimensional quasi-elastic neutron scattering. We present results from our preliminary analysis of an experiment on the cold neutron multi-chopper spectrometer LET at ISIS, where we studied the self-diffusion of water molecules along lipid membranes and have the possibility of studying the diffusion in membranes. By preparing highly oriented membrane stacks and aligning them horizontally in the spectrometer, our aim is to distinguish between lateral and transmembrane diffusion. Diffusion may also be measured at different locations in the membranes, such as the water layer and the hydrocarbon membrane core. With a complete analysis of the data, 2-dimensional mapping will enable us to determine diffusion channels of water and ethanol molecules to quantitatively determine nanoscale membrane permeability.

  2. NEUTRON MEASURING METHOD AND APPARATUS

    DOEpatents

    Seaborg, G.T.; Friedlander, G.; Gofman, J.W.

    1958-07-29

    A fast neutron fission detecting apparatus is described consisting of a source of fast neutrons, an ion chamber containing air, two electrodes within the ion chamber in confronting spaced relationship, a high voltage potential placed across the electrodes, a shield placed about the source, and a suitable pulse annplifier and recording system in the electrode circuit to record the impulse due to fissions in a sannple material. The sample material is coated onto the active surface of the disc electrode and shielding means of a material having high neutron capture capabilities for thermal neutrons are provided in the vicinity of the electrodes and about the ion chamber so as to absorb slow neutrons of thermal energy to effectively prevent their diffusing back to the sample and causing an error in the measurement of fast neutron fissions.

  3. Turbo fluid machinery and diffusers

    NASA Technical Reports Server (NTRS)

    Sakurai, T.

    1984-01-01

    The general theory behind turbo devices and diffusers is explained. Problems and the state of research on basic equations of flow and experimental and measuring methods are discussed. Conventional centrifugation-type compressor and fan diffusers are considered in detail.

  4. A diffusion-controlled kinetic model for growth of Au-catalyzed ZnO nanorods: Theory and experiment

    NASA Astrophysics Data System (ADS)

    Hejazi, S. R.; Madaah Hosseini, H. R.

    2007-11-01

    A kinetic model for growth of ZnO nanorods via vapor-liquid-solid (VLS) mechanism based on the bulk diffusion of Zn atoms through the Au-Zn droplet is presented. The dependences of the growth rate on size are given quantitatively. A general expression for the growth rate of nanorods during VLS process is derived. The derived formula shows the dependences of growth rate on lateral size of nanorods, concentration and supersaturation of Zn atoms in the liquid droplet. Based on the presented kinetic model the smaller nanorods have faster growth rate. Au-catalyzed ZnO nanorods are grown by chemical vapor transport and condensation (CVTC) process experimentally. Theoretical and experimental rate/radius curves are compared to each other. Theoretical predictions are in good agreement with the experimental results.

  5. Continuous Wave Spectroscopy with Diffusion Theory for Quantification of Optical Properties: Comparison Between Multi-distance and Multi-wavelength Data Fitting Methods.

    PubMed

    Lin, Yung-Chi; Lin, Zhi-Fong; Nioka, Shoko; Chen, Li-Hsin; Tseng, Sheng-Hao; Chung, Pau-Choo

    2016-01-01

    Typically, continuous wave spectroscopy (CWS) can be used to accurately quantify biological tissue optical properties (μ a and μ s ') by employing the diffuse reflectance information acquired at multiple source-detector separations (multi-distance). On the other hand, sample optical properties can also be obtained by fitting multi-wavelength light reflectance acquired at a single source detector separation to the diffusion theory equation. To date, multi-wavelength and multi-distance methods have not yet been rigorously compared for their accuracy in quantification of the sample optical properties. In this investigation, we compared the accuracy of the two above-mentioned quantifying methods in the optical properties recovery. The liquid phantoms had μ a between 0.004 and 0.011 mm(-1) and μ s ' between 0.55 and 1.07 mm(-1) whose optical properties mimic the human breast. Multi-distance data and multi-wavelength data were fitted to the same diffusion equation for consistency. The difference between benchmark μ a and μ s ' and the fitted results, ΔError (ΔE) was used to evaluate the accuracy of the two methods. The results showed that either method yielded ΔE within 15-30 % when values were within certain limits to standard values applicable to μ s ' and μ a for human adipose tissue. Both methods showed no significant differences in ΔE values. Our results suggest that both multi-distance and multi-wavelength methods can yield similar reasonable optical properties in biological tissue with a proper calibration. PMID:27526161

  6. Examination of near-wall hindered Brownian diffusion of nanoparticles: Experimental comparison to theories by Brenner (1961) and Goldman et al. (1967)

    NASA Astrophysics Data System (ADS)

    Choi, C. K.; Margraves, C. H.; Kihm, K. D.

    2007-10-01

    Multilayered distributions of hindered mean square displacement (MSD) for nanoparticles are measured in the near-wall region within 500 nm from the solid surface using total internal reflection fluorescence microscopy, an evanescent wave microscopic imaging technique. Examined particles are yellow-green (505/515) polystyrene fluorescent nanospheres of 100, 250, and 500nm radii with a specific gravity of 1.055. To ensure the measurement accuracy, special care is taken to minimize photobleaching of fluorescent particles by adding neutral density filters to optimally reduce the excitation power. The experimental results for parallel MSDs to the solid surface validate the theory of hindered diffusion [A. J. Goldman, R. G. Cox, and H. Brenner, "Slow viscous motion of a sphere parallel to a plane—I: Motion through a quiescent fluid," Chem. Eng. Sci. 22, 637 (1967)] of spheres based on viscous slow-down in the near-wall region. It is also reported that the effect of adding sodium chloride up to 10mM to the solution has little effect on the parallel diffusive motion of the tested nanoparticles. Experimental evidence shows that normal MSDs, for submicroscopic charged nanoparticles, are substantially different from Einstein's 2DΔt due to the deterministic motion arising from electrostatic forces.

  7. Examination of near-wall hindered Brownian diffusion of nanoparticles: Experimental comparison to theories by Brenner (1961) and Goldman et al. (1967)

    SciTech Connect

    Choi, C. K.; Margraves, C. H.; Kihm, K. D.

    2007-10-15

    Multilayered distributions of hindered mean square displacement (MSD) for nanoparticles are measured in the near-wall region within 500 nm from the solid surface using total internal reflection fluorescence microscopy, an evanescent wave microscopic imaging technique. Examined particles are yellow-green (505/515) polystyrene fluorescent nanospheres of 100, 250, and 500 nm radii with a specific gravity of 1.055. To ensure the measurement accuracy, special care is taken to minimize photobleaching of fluorescent particles by adding neutral density filters to optimally reduce the excitation power. The experimental results for parallel MSDs to the solid surface validate the theory of hindered diffusion [A. J. Goldman, R. G. Cox, and H. Brenner, 'Slow viscous motion of a sphere parallel to a plane - I: Motion through a quiescent fluid', Chem. Eng. Sci. 22, 637 (1967)] of spheres based on viscous slow-down in the near-wall region. It is also reported that the effect of adding sodium chloride up to 10 mM to the solution has little effect on the parallel diffusive motion of the tested nanoparticles. Experimental evidence shows that normal MSDs, for submicroscopic charged nanoparticles, are substantially different from Einstein's 2D{delta}t due to the deterministic motion arising from electrostatic forces.

  8. From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO-Al₂O₃-SiO₂ melts.

    PubMed

    Liu, Maoyuan; Jacob, Aurélie; Schmetterer, Clemens; Masset, Patrick J; Hennet, Louis; Fischer, Henry E; Kozaily, Jad; Jahn, Sandro; Gray-Weale, Angus

    2016-04-01

    Calcium aluminosilicate CaO-Al2O3-SiO2 (CAS) melts with compositions (CaO-SiO2)(x)(Al2O3)(1-x) for x  <  0.5 and (Al2O3)(x)(SiO2)(1-x) for x ≥ 0.5 are studied using neutron diffraction with aerodynamic levitation and density functional theory molecular dynamics modelling. Simulated structure factors are found to be in good agreement with experimental structure factors. Local atomic structures from simulations reveal the role of calcium cations as a network modifier, and aluminium cations as a non-tetrahedral network former. Distributions of tetrahedral order show that an increasing concentration of the network former Al increases entropy, while an increasing concentration of the network modifier Ca decreases entropy. This trend is opposite to the conventional understanding that increasing amounts of network former should increase order in the network liquid, and so decrease entropy. The two-body correlation entropy S2 is found to not correlate with the excess entropy values obtained from thermochemical databases, while entropies including higher-order correlations such as tetrahedral order, O-M-O or M-O-M bond angles and Q(N) environments show a clear linear correlation between computed entropy and database excess entropy. The possible relationship between atomic structures and excess entropy is discussed.

  9. From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO-Al₂O₃-SiO₂ melts.

    PubMed

    Liu, Maoyuan; Jacob, Aurélie; Schmetterer, Clemens; Masset, Patrick J; Hennet, Louis; Fischer, Henry E; Kozaily, Jad; Jahn, Sandro; Gray-Weale, Angus

    2016-04-01

    Calcium aluminosilicate CaO-Al2O3-SiO2 (CAS) melts with compositions (CaO-SiO2)(x)(Al2O3)(1-x) for x  <  0.5 and (Al2O3)(x)(SiO2)(1-x) for x ≥ 0.5 are studied using neutron diffraction with aerodynamic levitation and density functional theory molecular dynamics modelling. Simulated structure factors are found to be in good agreement with experimental structure factors. Local atomic structures from simulations reveal the role of calcium cations as a network modifier, and aluminium cations as a non-tetrahedral network former. Distributions of tetrahedral order show that an increasing concentration of the network former Al increases entropy, while an increasing concentration of the network modifier Ca decreases entropy. This trend is opposite to the conventional understanding that increasing amounts of network former should increase order in the network liquid, and so decrease entropy. The two-body correlation entropy S2 is found to not correlate with the excess entropy values obtained from thermochemical databases, while entropies including higher-order correlations such as tetrahedral order, O-M-O or M-O-M bond angles and Q(N) environments show a clear linear correlation between computed entropy and database excess entropy. The possible relationship between atomic structures and excess entropy is discussed. PMID:26940854

  10. Investigation of the thermo-mechanical behavior of neutron-irradiated Fe-Cr alloys by self-consistent plasticity theory

    NASA Astrophysics Data System (ADS)

    Xiao, Xiazi; Terentyev, Dmitry; Yu, Long; Bakaev, A.; Jin, Zhaohui; Duan, Huiling

    2016-08-01

    The thermo-mechanical behavior of non-irradiated (at 223 K, 302 K and 573 K) and neutron irradiated (at 573 K) Fe-2.5Cr, Fe-5Cr and Fe-9Cr alloys is studied by a self-consistent plasticity theory, which consists of constitutive equations describing the contribution of radiation defects at grain level, and the elastic-viscoplastic self-consistent method to obtain polycrystalline behaviors. Attention is paid to two types of radiation-induced defects: interstitial dislocation loops and solute rich clusters, which are believed to be the main sources of hardening in Fe-Cr alloys at medium irradiation doses. Both the hardening mechanism and microstructural evolution are investigated by using available experimental data on microstructures, and implementing hardening rules derived from atomistic data. Good agreement with experimental data is achieved for both the yield stress and strain hardening of non-irradiated and irradiated Fe-Cr alloys by treating dislocation loops as strong thermally activated obstacles and solute rich clusters as weak shearable ones.

  11. DIFFUSION IN CRYSTALLINE COMPOSITION-MODULATED FILMS

    SciTech Connect

    Jankowski, A; Saw, C; Harper, J

    2004-12-16

    The diffusivity in alloys at low temperatures is modeled for composition-modulated structures using Khachaturyan's microscopic theory of diffusion. The theory is now applied to assess a two-phase multilayer system.

  12. Temperature of neutron stars

    NASA Astrophysics Data System (ADS)

    Tsuruta, Sachiko

    2016-07-01

    We start with a brief introduction to the historical background in the early pioneering days when the first neutron star thermal evolution calculations predicted the presence of neutron stars hot enough to be observable. We then report on the first detection of neutron star temperatures by ROSAT X-ray satellite, which vindicated the earlier prediction of hot neutron stars. We proceed to present subsequent developments, both in theory and observation, up to today. We then discuss the current status and the future prospect, which will offer useful insight to the understanding of basic properties of ultra-high density matter beyond the nuclear density, such as the possible presence of such exotic particles as pion condensates.

  13. Study of the magnetic and electronic properties of nanocrystalline PrCo3 by neutron powder diffraction and density functional theory.

    PubMed

    Younsi, Khedidja; Crivello, Jean-Claude; Paul-Boncour, Valérie; Bessais, Lotfi; Porcher, Florence; André, Gilles

    2013-03-20

    Nanocrystalline PrCo(3) powder has been synthesized by high-energy milling and was subsequently annealed from 873 to 1273 K for 30 min to optimize the extrinsic properties. The structure and magnetic properties of the nanocrystalline PrCo(3) have been investigated by means of x-ray and neutron diffraction as well as magnetization measurements. All compounds crystallize in the same PuNi(3) type structure, with grain sizes between 28 and 47 nm. As the annealing temperature increases, a maximum coercive field of 12 kOe at 300 K (55 kOe at 10 K) was obtained by annealing at 1023 K for a grain size of 35 nm. The refinement of the neutron powder diffraction patterns (NPD) of PrCo(3) from 1.8 to 300 K shows an expansion of the parameter a and a contraction of the parameter c, leading to a decrease of the ratio c/a. The evolution of the Co and Pr magnetic sublattices measured by NPD indicates that this compound is a highly anisotropic uniaxial ferromagnet with the easy magnetization axis parallel to c(-->). This experimental study has been completed by a theoretical investigation of the electronic structure of the PrCo(x) (x = 2, 3 and 5) compounds. Band structure calculations with collinear spin polarization were performed by using the local approximation of the density functional theory scheme implemented in the projector-augmented wave method. The electronic structure of PrCo(3) compound in both directions of spin shows that the majority of occupied states are dominated by the 3d states of Co, with a strong electronic charge transfer from Pr to Co. The PrCo(3) electronic structure can be explained by a superimposition of those of PrCo(2) and PrCo(5), as expected from its crystal structure. The magnetic anisotropy has been confirmed for PrCo(3), as a non-collinear spin calculation with the polarization along the c axis is shown to be more stable than with the polarization in the (a(-->),b(-->)) plane.

  14. More about neutron Majorana mass from exotic instantons: An alternative mechanism in low-scale string theory

    NASA Astrophysics Data System (ADS)

    Addazi, Andrea

    2016-06-01

    We discuss an alternative for baryon-violating six quarks transition in the context of low scale string theory. In particular, with MS = 10-103 TeV, such a transition can be mediated by two color-triplets through a quartic coupling with down-quarks, generated by exotic instantons, in a calculable and controllable way. We show how flavor-changing neutral currents (FCNCs) limits on color-triplet mass are well compatible with n ‑n¯ oscillation ones. If an n ‑n¯ transition was found, this would be an indirect hint for our model. This would strongly motivate searches for direct channels in proton-proton colliders. In fact, our model can be directly tested in an experimentally challenging 100-1000 TeV proton-proton collider, searching for our desired color-triplet states and an evidence for exotic instantons resonances, in addition to stringy Regge resonances, anomalous Z‧-bosons and gauged megaxion. In particular, our scenario can be related to the 750 GeV diphoton hint identifying it with the gauged megaxion dual to the B-field. On the other hand, this scenario is compatible with TeV-ish color triplets visible at large hadron collider (LHC) and with 1-10 TeV string scale, i.e. stringy resonances at LHC.

  15. More about neutron Majorana mass from exotic instantons: An alternative mechanism in low-scale string theory

    NASA Astrophysics Data System (ADS)

    Addazi, Andrea

    2016-06-01

    We discuss an alternative for baryon-violating six quarks transition in the context of low scale string theory. In particular, with MS = 10-103 TeV, such a transition can be mediated by two color-triplets through a quartic coupling with down-quarks, generated by exotic instantons, in a calculable and controllable way. We show how flavor-changing neutral currents (FCNCs) limits on color-triplet mass are well compatible with n -n¯ oscillation ones. If an n -n¯ transition was found, this would be an indirect hint for our model. This would strongly motivate searches for direct channels in proton-proton colliders. In fact, our model can be directly tested in an experimentally challenging 100-1000 TeV proton-proton collider, searching for our desired color-triplet states and an evidence for exotic instantons resonances, in addition to stringy Regge resonances, anomalous Z‧-bosons and gauged megaxion. In particular, our scenario can be related to the 750 GeV diphoton hint identifying it with the gauged megaxion dual to the B-field. On the other hand, this scenario is compatible with TeV-ish color triplets visible at large hadron collider (LHC) and with 1-10 TeV string scale, i.e. stringy resonances at LHC.

  16. Neutron and x-ray scattering studies of premartensitic phenomena

    SciTech Connect

    Shapiro, S.M.

    1987-01-01

    This paper discusses neutron and x-ray investigations of some metallic alloys which are known to exhibit martensitic transformations. It is shown that precursor effects are usually present in the diffuse scattering and in the phonon dispersion curves, but the transition cannot be described in terms of the soft mode picture used in the Landau and Devonshire theory to describe structural phase transitions. In addition, it is noted that it is inappropriate to look at these microstructures as incommensurate systems, but more correctly as a coherent coexistence of two phases.

  17. Neutron stars as cosmic hadron physics laboratories

    NASA Technical Reports Server (NTRS)

    Pines, D.

    1985-01-01

    Extensive observations of Her-1 with the Exosat satellite have led to a new understanding of both the dynamics of neutron-star superfluids and the free precession of neutron stars. Detailed microscopic calculations on neutron matter and the properties of the pinned crustal superfluid are provided to serve as a basis for comparing theory with observation on neutron stars. Topics discussed include the Hadron matter equation of state, neutron star structure, Hadron superfluids, the vortex creep theory, Vela pulsar glitches, astrophysical constraints on neutron matter energy gaps, the 35 day periodicity of Her-1, and the neutron matter equation of state. It is concluded that since the post-glitch fits and the identification of the 35th periodicity in Her X-1 as stellar wobble require a rigid neutron matter equation of state, the astrophysical evidence for such an equation seems strong, as well as that for an intermediate Delta(rho) curve.

  18. Atmospheric neutrons

    NASA Technical Reports Server (NTRS)

    Korff, S. A.; Mendell, R. B.; Merker, M.; Light, E. S.; Verschell, H. J.; Sandie, W. S.

    1979-01-01

    Contributions to fast neutron measurements in the atmosphere are outlined. The results of a calculation to determine the production, distribution and final disappearance of atmospheric neutrons over the entire spectrum are presented. An attempt is made to answer questions that relate to processes such as neutron escape from the atmosphere and C-14 production. In addition, since variations of secondary neutrons can be related to variations in the primary radiation, comment on the modulation of both radiation components is made.

  19. Neutron star crusts

    NASA Technical Reports Server (NTRS)

    Lorenz, C. P.; Ravenhall, D. G.; Pethick, C. J.

    1993-01-01

    We calculate properties of neutron star matter at subnuclear densities using an improved nuclear Hamiltonian. Nuclei disappear and the matter becomes uniform at a density of about 0.6n(s), where n(s) of about 0.16/cu fm is the saturation density of nuclear matter. As a consequence, the mass of matter in the crusts of neutron stars is only about half as large as previously estimated. In about half of that crustal mass, nuclear matter occurs in shapes very different from the roughly spherical nuclei familiar at lower densities. The thinner crust and the unusual nuclear shape have important consequences for theories of the rotational and thermal evolution of neutron stars, especialy theories of glitches.

  20. Radius of influence for a cosmic-ray soil moisture probe : theory and Monte Carlo simulations.

    SciTech Connect

    Desilets, Darin

    2011-02-01

    The lateral footprint of a cosmic-ray soil moisture probe was determined using diffusion theory and neutron transport simulations. The footprint is radial and can be described by a single parameter, an e-folding length that is closely related to the slowing down length in air. In our work the slowing down length is defined as the crow-flight distance traveled by a neutron from nuclear emission as a fast neutron to detection at a lower energy threshold defined by the detector. Here the footprint is defined as the area encompassed by two e-fold distances, i.e. the area from which 86% of the recorded neutrons originate. The slowing down length is approximately 150 m at sea level for neutrons detected over a wide range of energies - from 10{sup 0} to 10{sup 5} eV. Both theory and simulations indicate that the slowing down length is inversely proportional to air density and linearly proportional to the height of the sensor above the ground for heights up to 100 m. Simulations suggest that the radius of influence for neutrons >1 eV is only slightly influenced by soil moisture content, and depends weakly on the energy sensitivity of the neutron detector. Good agreement between the theoretical slowing down length in air and the simulated slowing down length near the air/ground interface support the conclusion that the footprint is determined mainly by the neutron scattering properties of air.

  1. Neutron guide

    DOEpatents

    Greene, Geoffrey L.

    1999-01-01

    A neutron guide in which lengths of cylindrical glass tubing have rectangular glass plates properly dimensioned to allow insertion into the cylindrical glass tubing so that a sealed geometrically precise polygonal cross-section is formed in the cylindrical glass tubing. The neutron guide provides easier alignment between adjacent sections than do the neutron guides of the prior art.

  2. Neutron dosimetry

    DOEpatents

    Quinby, Thomas C.

    1976-07-27

    A method of measuring neutron radiation within a nuclear reactor is provided. A sintered oxide wire is disposed within the reactor and exposed to neutron radiation. The induced radioactivity is measured to provide an indication of the neutron energy and flux within the reactor.

  3. Visualization by neutron diffraction of 2D oxygen diffusion in the Sr(0.7)Ho(0.3)CoO(3-δ) cathode for solid-oxide fuel cells.

    PubMed

    Cascos, V; Martínez-Coronado, R; Alonso, J A; Fernández-Díaz, M T

    2014-06-25

    Sr0.7Ho0.3CoO3-δ oxide has been recently described as an excellent cathode material (1274 mW cm(-2) at 850 °C with pure H2 as fuel1) for solid oxide fuel cells (SOFCs) with LSGM as electrolyte. In this work, we describe a detailed study of its crystal structure conducted to find out the correlation between the excellent performance as a cathode and the structural features. The tetragonal crystal structure (e.g., I4/mmm) basically contains layers of octahedrally coordinated Co2O6 units alternated with layers of Co1O4 tetrahedra sharing corners. An "in situ" neutron power diffraction (NPD) experiment, between 25 and 800 °C, reveals the presence of a high oxygen deficiency affecting O4 oxygen atoms, with large displacement factors that suggest a large lability and mobility. Difference Fourier maps allow the visualization at high temperatures of the 2D diffusion pathways within the tetrahedral layers, where O3 and O4 oxygens participate. The measured thermal expansion coefficient is 16.61 × 10(-6) K(-1) between 300 and 850 °C, exhibiting an excellent chemical compatibility with the electrolyte. PMID:24873238

  4. Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.

    PubMed

    Yu, Tang-Qing; Lapelosa, Mauro; Vanden-Eijnden, Eric; Abrams, Cameron F

    2015-03-01

    We use Markovian milestoning molecular dynamics (MD) simulations on a tessellation of the collective variable space for CO localization in myoglobin to estimate the kinetics of entry, exit, and internal site-hopping. The tessellation is determined by analysis of the free-energy surface in that space using transition-path theory (TPT), which provides criteria for defining optimal milestones, allowing short, independent, cell-constrained MD simulations to provide properly weighted kinetic data. We coarse grain the resulting kinetic model at two levels: first, using crystallographically relevant internal cavities and their predicted interconnections and solvent portals; and second, as a three-state side-path scheme inspired by similar models developed from geminate recombination experiments. We show semiquantitative agreement with experiment on entry and exit rates and in the identification of the so-called "histidine gate" at position 64 through which ≈90% of flux between solvent and the distal pocket passes. We also show with six-dimensional calculations that the minimum free-energy pathway of escape through the histidine gate is a "knock-on" mechanism in which motion of the ligand and the gate are sequential and interdependent. In total, these results suggest that such TPT simulations are indeed a promising approach to overcome the practical time-scale limitations of MD to allow reliable estimation of transition mechanisms and rates among metastable states.

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

    SciTech Connect

    Farzad Rahnema; Dingkang Zhang; Abderrafi Ougouag; Frederick Gleicher

    2011-04-04

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

  6. From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO-Al2O3-SiO2 melts

    NASA Astrophysics Data System (ADS)

    Liu, Maoyuan; Jacob, Aurélie; Schmetterer, Clemens; Masset, Patrick J.; Hennet, Louis; Fischer, Henry E.; Kozaily, Jad; Jahn, Sandro; Gray-Weale, Angus

    2016-04-01

    Calcium aluminosilicate \\text{CaO}-\\text{A}{{\\text{l}}2}{{\\text{O}}3}-\\text{Si}{{\\text{O}}2} (CAS) melts with compositions {{≤ft(\\text{CaO}-\\text{Si}{{\\text{O}}2}\\right)}x}{{≤ft(\\text{A}{{\\text{l}}2}{{\\text{O}}3}\\right)}1-x} for x  <  0.5 and {{≤ft(\\text{A}{{\\text{l}}2}{{\\text{O}}3}\\right)}x}{{≤ft(\\text{Si}{{\\text{O}}2}\\right)}1-x} for x≥slant 0.5 are studied using neutron diffraction with aerodynamic levitation and density functional theory molecular dynamics modelling. Simulated structure factors are found to be in good agreement with experimental structure factors. Local atomic structures from simulations reveal the role of calcium cations as a network modifier, and aluminium cations as a non-tetrahedral network former. Distributions of tetrahedral order show that an increasing concentration of the network former Al increases entropy, while an increasing concentration of the network modifier Ca decreases entropy. This trend is opposite to the conventional understanding that increasing amounts of network former should increase order in the network liquid, and so decrease entropy. The two-body correlation entropy S 2 is found to not correlate with the excess entropy values obtained from thermochemical databases, while entropies including higher-order correlations such as tetrahedral order, O-M-O or M-O-M bond angles and Q N environments show a clear linear correlation between computed entropy and database excess entropy. The possible relationship between atomic structures and excess entropy is discussed.

  7. Using the diffusion of innovations theory to assess socio-technical factors in planning the implementation of an electronic health record alert across multiple primary care clinics

    PubMed Central

    Lin, Ching-Ping; Guirguis-Blake, Janelle; Keppel, Gina A.; Dobie, Sharon; Osborn, Justin; Cole, Allison M.; Baldwin, Laura-Mae

    2016-01-01

    Background Adverse drug events (ADEs) are a leading cause of death in the United States. Patients with stage 3 and 4 chronic kidney disease (CKD) are at particular risk because many medications are cleared by the kidneys. Alerts in the electronic health record (EHR) about drug appropriateness and dosing at the time of prescription have been shown to reduce ADEs for patients with stage 3 and 4 CKD in inpatient settings, but more research is needed about the implementation and effectiveness of such alerts in outpatient settings. Objective To explore factors that might inform the implementation of an electronic drug–disease alert for patients with CKD in primary care clinics, using Rogers’ diffusion of innovations theory as an analytic framework. Methods Interviews were conducted with key informants in four diverse clinics using various EHR systems. Interviews were audio recorded and transcribed. Results Although all clinics had a current method for calculating glomerular filtration rate (GFR), clinics were heterogeneous with regard to current electronic decision support practices, quality improvement resources, and organizational culture and structure. Conclusion Understanding variation in organizational culture and infrastructure across primary care clinics is important in planning implementation of an intervention to reduce ADEs among patients with CKD. PMID:27348488

  8. Evaluating the geochemically induced swelling/shrinkage of the near-field host clay rock using a THC model and the diffuse double layer theory

    NASA Astrophysics Data System (ADS)

    Zheng, L.; Liu, H.; Birkholzer, J. T.; Houseworth, J. E.; Sonnenthal, E. L.

    2011-12-01

    One advantage of emplacing nuclear waste in a clay formation is the potential self-sealing capability due to clay swelling. The swelling properties of the near-field host clay rock can be altered due to geochemical factors, including changes in groundwater geochemistry, proportions of exchangeable cations, and swelling clay mineral abundances. The clay host rock can also undergo geochemical changes due to the interaction with the engineered barrier system (EBS) materials. In this paper, coupled thermal, hydrological, and chemical (THC) models are linked with a swelling model based on diffuse double layer (DDL) theory and changes in the swelling properties of clay host rocks in the near field area are evaluated. Findings based on THC simulations using the reaction-transport code TOUGHREACT include: 1) Significant changes in the swelling pressure could be expected depending on various hydrogeologic and geochemical conditions. The change of hydration rate of the EBS (via the adjustment of tortuosity) could have significant effect on the swelling pressure. 2) Geochemically-induced swelling/shrinkage only occurs in the near-field area, within a few meters from the EBS interface. 3) Swelling/shrinkage induced porosity change is generally much smaller than that caused by mineral precipitation/dissolution. 4) The geochemically-induced swelling/shrinkage of host clay rock is the combined effect of variation in the pore water geochemistry, exchangeable cations, and smectite abundance. Neglecting any of these three latter factors might lead to a miscalculation of the geochemically-induced swelling pressure.

  9. Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo

    SciTech Connect

    Cox, Stephen J.; Michaelides, Angelos; Towler, Michael D.; Alfè, Dario

    2014-05-07

    High quality reference data from diffusion Monte Carlo calculations are presented for bulk sI methane hydrate, a complex crystal exhibiting both hydrogen-bond and dispersion dominated interactions. The performance of some commonly used exchange-correlation functionals and all-atom point charge force fields is evaluated. Our results show that none of the exchange-correlation functionals tested are sufficient to describe both the energetics and the structure of methane hydrate accurately, while the point charge force fields perform badly in their description of the cohesive energy but fair well for the dissociation energetics. By comparing to ice I{sub h}, we show that a good prediction of the volume and cohesive energies for the hydrate relies primarily on an accurate description of the hydrogen bonded water framework, but that to correctly predict stability of the hydrate with respect to dissociation to ice I{sub h} and methane gas, accuracy in the water-methane interaction is also required. Our results highlight the difficulty that density functional theory faces in describing both the hydrogen bonded water framework and the dispersion bound methane.

  10. Superdense neutron matter

    NASA Technical Reports Server (NTRS)

    Canuto, V.; Datta, B.; Kalman, G.

    1978-01-01

    A relativistic theory of high-density matter is presented which takes into account the short-range interaction due to the exchange of spin-2 mesons. An equation of state is derived and used to compute neutron-star properties. The prediction of the theory for the values of maximum mass and moment of inertia for a stable neutron star are 1.75 solar masses and 1.68 by 10 to the 45th power g-sq cm, in very good agreement with the presently known observational bounds. The corresponding radius is found to be 10.7 km. It is found that the inclusion of the spin-2 interaction reduces the disagreement between the relativistic and nonrelativistic theories in their predictions of masses and moments of inertia.

  11. Unified structure theory of icosahedral quasicrystals: Evidence from neutron powder diffraction patterns that AlCrFeMnSi, AlCuLiMg, and TiNiFeSi icosahedral quasicrystals are twins of cubic crystals containing about 820 or 1,012 atoms in a primitive unit cube

    SciTech Connect

    Pauling, L. )

    1988-11-01

    A unified structure theory of icosahedral quasicrystals, combining the twinned-cubic-crystal theory and the Penrose-tiling-six-dimensional-projection theory, is described. Values of the primitive-cubic lattice constant for several quasicrystals are evaluated from x-ray and neutron diffraction data. The fact that the low-angle diffraction maxima can be indexed with cubic unit cells provides additional support for the twinned-cubic-crystal theory of icosahedral quasicrystals.

  12. 2011 U.S. National School on Neutron and X-ray Scattering

    SciTech Connect

    Lang, Jonathan; te Vethuis, Suzanne; Ekkebus, Allen E; Chakoumakos, Bryan C; Budai, John D

    2012-01-01

    The 13th annual U.S. National School on Neutron and X-ray Scattering was held June 11 to 25, 2011, at both Oak Ridge and Argonne National Laboratories. This school brought together 65 early career graduate students from 56 different universities in the US and provided them with a broad introduction to the techniques available at the major large-scale neutron and synchrotron x-ray facilities. This school is focused primarily on techniques relevant to the physical sciences, but also touches on cross-disciplinary bio-related scattering measurements. During the school, students received lectures by over 30 researchers from academia, industry, and national laboratories and participated in a number of short demonstration experiments at Argonne's Advanced Photon Source (APS) and Oak Ridge's Spallation neutron Source (SNS) and High Flux Isotope Reactor (HFIR) facilities to get hands-on experience in using neutron and synchrotron sources. The first week of this year's school was held at Oak Ridge National Lab, where Lab director Thom Mason welcomed the students and provided a shitorical perspective of the neutron and x-ray facilities both at Oak Ridge and Argonne. The first few days of the school were dedicated to lectures laying out the basics of scattering theory and the differences and complementarity between the neutron and x-ray probes given by Sunil Sinha. Jack Carpenter provided an introduction into how neutrons are generated and detected. After this basic introduction, the students received lectures each morning on specific techniques and conducted demonstration experiments each afternoon on one of 15 different instruments at either the SNS or HFIR. Some of the topics covered during this week of the school included inelastic neutron scattering by Bruce Gaulin, x-ray and neutron reflectivity by Chuck Majkrazak, small-angle scattering by Volker Urban, powder diffraction by Ashfia Huq and diffuse scattering by Gene Ice.

  13. Green's Function Nodal Algorithm for the Diffusion Equation.

    1989-12-04

    Version 00 GRENADE is a coarse-mesh program designed for neutronic flux and power calculations in nuclear reactors. It solves the static diffusion equation for neutrons in multidimensional problems, assuming Cartesian Geometry. The program yields flux and power distributions and the effective neutron multiplication factor .

  14. Nested Focusing Optics for Compact Neutron Sources

    NASA Technical Reports Server (NTRS)

    Nabors, Sammy A.

    2015-01-01

    NASA's Marshall Space Flight Center, the Massachusetts Institute of Technology (MIT), and the University of Alabama Huntsville (UAH) have developed novel neutron grazing incidence optics for use with small-scale portable neutron generators. The technology was developed to enable the use of commercially available neutron generators for applications requiring high flux densities, including high performance imaging and analysis. Nested grazing incidence mirror optics, with high collection efficiency, are used to produce divergent, parallel, or convergent neutron beams. Ray tracing simulations of the system (with source-object separation of 10m for 5 meV neutrons) show nearly an order of magnitude neutron flux increase on a 1-mm diameter object. The technology is a result of joint development efforts between NASA and MIT researchers seeking to maximize neutron flux from diffuse sources for imaging and testing applications.

  15. Neutron detector

    DOEpatents

    Stephan, Andrew C.; Jardret; Vincent D.

    2011-04-05

    A neutron detector has a volume of neutron moderating material and a plurality of individual neutron sensing elements dispersed at selected locations throughout the moderator, and particularly arranged so that some of the detecting elements are closer to the surface of the moderator assembly and others are more deeply embedded. The arrangement captures some thermalized neutrons that might otherwise be scattered away from a single, centrally located detector element. Different geometrical arrangements may be used while preserving its fundamental characteristics. Different types of neutron sensing elements may be used, which may operate on any of a number of physical principles to perform the function of sensing a neutron, either by a capture or a scattering reaction, and converting that reaction to a detectable signal. High detection efficiency, an ability to acquire spectral information, and directional sensitivity may be obtained.

  16. Neutron detector

    SciTech Connect

    Stephan, Andrew C; Jardret, Vincent D

    2009-04-07

    A neutron detector has a volume of neutron moderating material and a plurality of individual neutron sensing elements dispersed at selected locations throughout the moderator, and particularly arranged so that some of the detecting elements are closer to the surface of the moderator assembly and others are more deeply embedded. The arrangement captures some thermalized neutrons that might otherwise be scattered away from a single, centrally located detector element. Different geometrical arrangements may be used while preserving its fundamental characteristics. Different types of neutron sensing elements may be used, which may operate on any of a number of physical principles to perform the function of sensing a neutron, either by a capture or a scattering reaction, and converting that reaction to a detectable signal. High detection efficiency, an ability to acquire spectral information, and directional sensitivity may be obtained.

  17. Atmospheric neutrons

    NASA Technical Reports Server (NTRS)

    Preszler, A. M.; Moon, S.; White, R. S.

    1976-01-01

    Additional calibrations of the University of California double-scatter neutron detector and additional analysis corrections lead to slightly changed neutron fluxes. The theoretical angular distributions of Merker (1975) are in general agreement with the reported experimental fluxes but do not give the peaks for vertical upward and downward moving neutrons. The theoretical neutron escape current is in agreement with the experimental values from 10 to 100 MeV. The experimental fluxes obtained agree with those of Kanbach et al. (1974) in the overlap region from 70 to 100 MeV.

  18. Spectral ratios of ambient noise based on the diffuse field theory: Improved inversion of H/V in layered media using analytical properties of Green functions

    NASA Astrophysics Data System (ADS)

    Sanchez-Sesma, F. J.; Perton, M.; Piña, J.; Luzón, F.; Garcia-Jerez, A.; Rodriguez-Castellanos, A.

    2013-12-01

    It is well know the popularity of H/V spectral ratio to extract the dominant frequency of soil sites for microzonation studies (Nakamura, 1989). It is relatively easy to make measurements as only one station is needed. Despite its success, this approach had not solid theoretical basis until a proposal to link ambient noise vibrations with diffuse field theory was made (Sánchez-Sesma et al, 2011a). Based on this theory the average spectral density of a given motion of a point, also called directional energy density (Perton et al, 2009), is proportional to the imaginary part of Green function precisely at the observation point. The proportionality implies that vector components are all multiplied by the current spectral level of the diffuse illumination. Appropriate normalization is crucial to make the experimental spectral ratios closer to the theoretical counterpart. According to this theory the square of H/V is twice the ratio of ImG11 and ImG33, where ImG11 and ImG33 are the imaginary part of Green functions at the load point for horizontal and vertical components, respectively. From ImG11 it could be possible through Fourier analysis to extract pseudo reflections and thus constrain the inversion of soil profile. We propose to assess ImG11 removing the influence of illumination spectrum using the H/V spectral ratio and an estimate of ImG33 (obtained from a priori model) by means of ImG11=0.5(H/V)2*ImG33. It has been found that ImG33 is less sensitive to details of stratigraphy. In fact, the most relevant property is the Poisson ratio of the uppermost layer which controls the slope in high frequency (Sánchez-Sesma et al, 2011b). Pseudo-reflection seismograms are thus obtained from Fourier transform, back to time domain, of i{ImG11-ImG11HSS}, where ImG11HSS is the imaginary part of Green functions at the load point for horizontal load at the surface of a half-space with the properties of the uppermost layer. With the obtained model ImG33 can be updated and the

  19. Radii of neutron drops probed via the neutron skin thickness of nuclei

    NASA Astrophysics Data System (ADS)

    Zhao, P. W.; Gandolfi, S.

    2016-10-01

    Multineutron systems are crucial to understanding the physics of neutron-rich nuclei and neutron stars. Neutron drops, neutrons confined in an external field, are investigated systematically in both nonrelativistic and relativistic density functional theories and with ab initio calculations. We demonstrate a new strong linear correlation, which is universal in the realm of mean-field models, between the rms radii of neutron drops and the neutron skin thickness of 208Pb and 48Ca, i.e., the difference between the neutron and proton rms radii of a nucleus. Due to its high quality, this correlation can be used to deduce the radii of neutron drops from the measured neutron skin thickness in a model-independent way, and the radii obtained for neutron drops can provide a useful constraint for realistic three-neutron forces. We also present a new correlation between the slope L of the symmetry energy and the radii of neutron drops, and provide the first validation of such a correlation by using density-functional models and ab initio calculations. These newly established correlations, together with more precise measurements of the neutron skin thicknesses of 208Pb and 48Ca and/or accurate determinations of L , will have an enduring impact on the understanding of multineutron interactions, neutron-rich nuclei, neutron stars, etc.

  20. Gravitational effects on planetary neutron flux spectra

    NASA Astrophysics Data System (ADS)

    Feldman, W. C.; Drake, D. M.; O'dell, R. D.; Brinkley, F. W.; Anderson, R. C.

    1989-01-01

    The effects of gravity on the planetary neutron flux spectra for planet Mars, and the lifetime of the neutron, were investigated using a modified one-dimensional diffusion accelerated neutral-particle transport code, coupled with a multigroup cross-section library tailored specifically for Mars. The results showed the presence of a qualitatively new feature in planetary neutron leakage spectra in the form of a component of returning neutrons with kinetic energies less than the gravitational binding energy (0.132 eV for Mars). The net effect is an enhancement in flux at the lowest energies that is largest at and above the outermost layer of planetary matter.

  1. Grand unification of neutron stars

    PubMed Central

    Kaspi, Victoria M.

    2010-01-01

    The last decade has shown us that the observational properties of neutron stars are remarkably diverse. From magnetars to rotating radio transients, from radio pulsars to isolated neutron stars, from central compact objects to millisecond pulsars, observational manifestations of neutron stars are surprisingly varied, with most properties totally unpredicted. The challenge is to establish an overarching physical theory of neutron stars and their birth properties that can explain this great diversity. Here I survey the disparate neutron stars classes, describe their properties, and highlight results made possible by the Chandra X-Ray Observatory, in celebration of its 10th anniversary. Finally, I describe the current status of efforts at physical “grand unification” of this wealth of observational phenomena, and comment on possibilities for Chandra’s next decade in this field. PMID:20404205

  2. Neutronic reactor

    DOEpatents

    Wende, Charles W. J.

    1976-08-17

    A safety rod for a nuclear reactor has an inner end portion having a gamma absorption coefficient and neutron capture cross section approximately equal to those of the adjacent shield, a central portion containing materials of high neutron capture cross section and an outer end portion having a gamma absorption coefficient at least equal to that of the adjacent shield.

  3. NEUTRONIC REACTOR

    DOEpatents

    Fermi, E.; Zinn, W.H.; Anderson, H.L.

    1958-09-16

    Means are presenied for increasing the reproduction ratio of a gaphite- moderated neutronic reactor by diminishing the neutron loss due to absorption or capture by gaseous impurities within the reactor. This means comprised of a fluid-tight casing or envelope completely enclosing the reactor and provided with a valve through which the casing, and thereby the reactor, may be evacuated of atmospheric air.

  4. Task-shifting Using a Pain Management Protocol in an Emergency Care Service: Nurses' Perception through the Eye of the Rogers's Diffusion of Innovation Theory.

    PubMed

    Hadorn, Fabienne; Comte, Pascal; Foucault, Eliane; Morin, Diane; Hugli, Olivier

    2016-02-01

    It has been shown that over 70% of patients waiting in emergency departments (EDs) do not receive analgesics, despite the fact that more than 78% complain of pain. A clinical innovation in the form of a pain management protocol that includes task-shifting has been implemented in the ED of a university hospital in Switzerland in order to improve pain-related outcomes in patients. This innovation involves a change in clinical practice for physicians and nurses. The aim of this study is to explore nurses' perceptions on how well this innovation is adopted. This descriptive correlational study took place in the ED of a Swiss university hospital; the hospital provides healthcare for the city, the canton, and adjoining cantons. A convenience sample of 37 ED nurses participated. They were asked to complete a questionnaire comprising 56 statements based on Rogers's "Diffusion of Innovation" theory. Nurses' opinions (on a 1-10 Likert scale) indicate that the new protocol benefits the ED (mean [M] = 7.4, standard deviation [SD] = 1.21), is compatible with nursing roles (M = 8.0, SD = 1.9), is not too complicated to apply (M = 2.7, SD = 1.7), provides observable positive effects in patients (M = 7.0, SD = 1.28), and is relatively easy to introduce into daily practice (M = 6.5, SD = 1.0). Further studies are now needed to examine patients' experiences of this innovation.

  5. Neutron tubes

    DOEpatents

    Leung, Ka-Ngo; Lou, Tak Pui; Reijonen, Jani

    2008-03-11

    A neutron tube or generator is based on a RF driven plasma ion source having a quartz or other chamber surrounded by an external RF antenna. A deuterium or mixed deuterium/tritium (or even just a tritium) plasma is generated in the chamber and D or D/T (or T) ions are extracted from the plasma. A neutron generating target is positioned so that the ion beam is incident thereon and loads the target. Incident ions cause D-D or D-T (or T-T) reactions which generate neutrons. Various embodiments differ primarily in size of the chamber and position and shape of the neutron generating target. Some neutron generators are small enough for implantation in the body. The target may be at the end of a catheter-like drift tube. The target may have a tapered or conical surface to increase target surface area.

  6. Neutron source

    DOEpatents

    Cason, J.L. Jr.; Shaw, C.B.

    1975-10-21

    A neutron source which is particularly useful for neutron radiography consists of a vessel containing a moderating media of relatively low moderating ratio, a flux trap including a moderating media of relatively high moderating ratio at the center of the vessel, a shell of depleted uranium dioxide surrounding the moderating media of relatively high moderating ratio, a plurality of guide tubes each containing a movable source of neutrons surrounding the flux trap, a neutron shield surrounding one part of each guide tube, and at least one collimator extending from the flux trap to the exterior of the neutron source. The shell of depleted uranium dioxide has a window provided with depleted uranium dioxide shutters for each collimator. Reflectors are provided above and below the flux trap and on the guide tubes away from the flux trap.

  7. Errors involved in the existing B-term expressions for the longitudinal diffusion in fully porous chromatographic media Part I: computational data in ordered pillar arrays and effective medium theory.

    PubMed

    Desmet, G; Broeckhoven, K; De Smet, J; Deridder, S; Baron, G V; Gzil, P

    2008-04-25

    Numerically solving the effective diffusion in a simplified representation of a chromatographic bed, it was found that the B-term expressions that have up to now been used in the literature, and which can all be reduced to either Deff=(gamma mDm+k'gamma sDs)/(1+k') or Deff=(gamma meDm+k''Dpart)/(1+k''), can no longer be considered to be unconditionally valid. This could be demonstrated by showing that the simulated diffusion data are in agreement with the mathematically sound effective medium theory (EMT), whereas the B-term expressions used up to now in literature are in conflict with the EMT, a theory that is widely accepted in all other fields of science. It is also shown that the use of the existing B-term expressions can lead to very large measurement errors (up to a 100% and more) for the determination of the stationary phase diffusion coefficient gamma sDs from peak parking experiments. The representation of the B-term diffusion should in the future hence be based on the Deff expressions that can be derived from the EMT. These are physically sound and are also more accurate than the classical B-term expressions used up to now.

  8. Neutron crosstalk between liquid scintillators

    NASA Astrophysics Data System (ADS)

    Verbeke, J. M.; Prasad, M. K.; Snyderman, N. J.

    2015-09-01

    A method is proposed to quantify the fractions of neutrons scattering between liquid scintillators. Using a spontaneous fission source, this method can be utilized to quickly characterize an array of liquid scintillators in terms of crosstalk. The point model theory due to Feynman is corrected to account for these multiple scatterings. Using spectral information measured by the liquid scintillators, fractions of multiple scattering can be estimated, and mass reconstruction of fissile materials under investigation can be improved. Monte Carlo simulations of mono-energetic neutron sources were performed to estimate neutron crosstalk. A californium source in an array of liquid scintillators was modeled to illustrate the improvement of the mass reconstruction.

  9. Neutron crosstalk between liquid scintillators

    SciTech Connect

    Verbeke, J. M.; Prasad, M. K.; Snyderman, N. J.

    2015-05-01

    We propose a method to quantify the fractions of neutrons scattering between liquid scintillators. Using a spontaneous fission source, this method can be utilized to quickly characterize an array of liquid scintillators in terms of crosstalk. The point model theory due to Feynman is corrected to account for these multiple scatterings. Using spectral information measured by the liquid scintillators, fractions of multiple scattering can be estimated, and mass reconstruction of fissile materials under investigation can be improved. Monte Carlo simulations of mono-energetic neutron sources were performed to estimate neutron crosstalk. A californium source in an array of liquid scintillators was modeled to illustrate the improvement of the mass reconstruction.

  10. A Diffusion Approach to Study Leadership Reform

    ERIC Educational Resources Information Center

    Adams, Curt M.; Jean-Marie, Gaetane

    2011-01-01

    Purpose: This study aims to draw on elements of diffusion theory to understand leadership reform. Many diffusion studies examine the spread of an innovation across social units but the objective is to examine diffusion of a collective leadership model within school units. Specifically, the strength of reform diffusion is tested to account for…

  11. NEUTRON SOURCE

    DOEpatents

    Bernander, N.K. et al.

    1960-10-18

    An apparatus is described for producing neutrons through target bombardment with deuterons. Deuterium gas is ionized by electron bombardment and the deuteron ions are accelerated through a magnetic field to collimate them into a continuous high intensity beam. The ion beam is directed against a deuteron pervious metal target of substantially the same nnaterial throughout to embed the deuterous therein and react them to produce neutrons. A large quantity of neutrons is produced in this manner due to the increased energy and quantity of ions bombarding the target.

  12. Thermal neutron detection system

    DOEpatents

    Peurrung, Anthony J.; Stromswold, David C.

    2000-01-01

    According to the present invention, a system for measuring a thermal neutron emission from a neutron source, has a reflector/moderator proximate the neutron source that reflects and moderates neutrons from the neutron source. The reflector/moderator further directs thermal neutrons toward an unmoderated thermal neutron detector.

  13. Diffusion MRI

    NASA Astrophysics Data System (ADS)

    Fukuyama, Hidenao

    Recent advances of magnetic resonance imaging have been described, especially stressed on the diffusion sequences. We have recently applied the diffusion sequence to functional brain imaging, and found the appropriate results. In addition to the neurosciences fields, diffusion weighted images have improved the accuracies of clinical diagnosis depending upon magnetic resonance images in stroke as well as inflammations.

  14. NEUTRONIC REACTOR

    DOEpatents

    Wade, E.J.

    1958-09-16

    This patent relates to a reflector means for a neutronic reactor. A reflector comprised of a plurality of vertically movable beryllium control members is provided surrounding the sides of the reactor core. An absorber of fast neutrons comprised of natural uramum surrounds the reflector. An absorber of slow neutrons surrounds the absorber of fast neutrons and is formed of a plurality of beryllium blocks having natural uranium members distributcd therethrough. in addition, a movable body is positioned directly below the core and is comprised of a beryllium reflector and an absorbing member attached to the botiom thereof, the absorbing member containing a substance selected from the goup consisting of natural urantum and Th/sup 232/.

  15. NEUTRONIC REACTOR

    DOEpatents

    Fraas, A.P.; Mills, C.B.

    1961-11-21

    A neutronic reactor in which neutron moderation is achieved primarily in its reflector is described. The reactor structure consists of a cylindrical central "island" of moderator and a spherical moderating reflector spaced therefrom, thereby providing an annular space. An essentially unmoderated liquid fuel is continuously passed through the annular space and undergoes fission while contained therein. The reactor, because of its small size, is particularly adapted for propulsion uses, including the propulsion of aircraft. (AEC)

  16. NEUTRON SOURCES

    DOEpatents

    Richmond, J.L.; Wells, C.E.

    1963-01-15

    A neutron source is obtained without employing any separate beryllia receptacle, as was formerly required. The new method is safer and faster, and affords a source with both improved yield and symmetry of neutron emission. A Be container is used to hold and react with Pu. This container has a thin isolating layer that does not obstruct the desired Pu--Be reaction and obviates procedures previously employed to disassemble and remove a beryllia receptacle. (AEC)

  17. NEUTRONIC REACTOR

    DOEpatents

    Wigner, E.P.

    1958-04-22

    A nuclear reactor for isotope production is described. This reactor is designed to provide a maximum thermal neutron flux in a region adjacent to the periphery of the reactor rather than in the center of the reactor. The core of the reactor is generally centrally located with respect tn a surrounding first reflector, constructed of beryllium. The beryllium reflector is surrounded by a second reflector, constructed of graphite, which, in tune, is surrounded by a conventional thermal shield. Water is circulated through the core and the reflector and functions both as a moderator and a coolant. In order to produce a greatsr maximum thermal neutron flux adjacent to the periphery of the reactor rather than in the core, the reactor is designed so tbat the ratio of neutron scattering cross section to neutron absorption cross section averaged over all of the materials in the reflector is approximately twice the ratio of neutron scattering cross section to neutron absorption cross section averaged over all of the material of the core of the reactor.

  18. FOREWORD: Neutron metrology Neutron metrology

    NASA Astrophysics Data System (ADS)

    Thomas, David J.; Nolte, Ralf; Gressier, Vincent

    2011-12-01

    The International Committee for Weights and Measures (CIPM) has consultative committees covering various areas of metrology. The Consultative Committee for Ionizing Radiation (CCRI) differs from the others in having three sections: Section (I) deals with radiation dosimetry, Section (II) with radionuclide metrology and Section (III) with neutron metrology. In 2003 a proposal was made to publish special issues of Metrologia covering the work of the three Sections. Section (II) was the first to complete their task, and their special issue was published in 2007, volume 44(4). This was followed in 2009 by the special issue on radiation dosimetry, volume 46(2). The present issue, volume 48(6), completes the trilogy and attempts to explain neutron metrology, the youngest of the three disciplines, the neutron only having been discovered in 1932, to a wider audience and to highlight the relevance and importance of this field. When originally approached with the idea of this special issue, Section (III) immediately saw the value of a publication specifically on neutron metrology. It is a topic area where papers tend to be scattered throughout the literature in journals covering, for example, nuclear instrumentation, radiation protection or radiation measurements in general. Review articles tend to be few. People new to the field often ask for an introduction to the various topics. There are some excellent older textbooks, but these are now becoming obsolete. More experienced workers in specific areas of neutron metrology can find it difficult to know the latest position in related areas. The papers in this issue attempt, without presenting a purely historical outline, to describe the field in a sufficiently logical way to provide the novice with a clear introduction, while being sufficiently up-to-date to provide the more experienced reader with the latest scientific developments in the different topic areas. Neutron radiation fields obviously occur throughout the nuclear

  19. Detection of explosives and illicit drugs using neutrons

    NASA Astrophysics Data System (ADS)

    Király, B.; Sanami, T.; Dóczi, R.; Csikai, J.

    2004-01-01

    A procedure developed for the determination of the flux perturbation factor required for the thermal neutron activation analysis of bulky samples of unknown composition has been extended for epithermal neutrons using hydrogenous and graphite moderators. Measurements on the diffusion and backscattering of thermal neutrons in soil components were carried out for the development of novel nuclear methods in order to speed up the humanitarian demining process. Results obtained for the diffusion length were checked by MCNP-4C calculations. In addition, the effect of the weight and density of the explosives on the observation of the anomaly in the reflected thermal neutrons was examined by using different dummy landmines.

  20. FOREWORD: Neutron metrology Neutron metrology

    NASA Astrophysics Data System (ADS)

    Thomas, David J.; Nolte, Ralf; Gressier, Vincent

    2011-12-01

    The International Committee for Weights and Measures (CIPM) has consultative committees covering various areas of metrology. The Consultative Committee for Ionizing Radiation (CCRI) differs from the others in having three sections: Section (I) deals with radiation dosimetry, Section (II) with radionuclide metrology and Section (III) with neutron metrology. In 2003 a proposal was made to publish special issues of Metrologia covering the work of the three Sections. Section (II) was the first to complete their task, and their special issue was published in 2007, volume 44(4). This was followed in 2009 by the special issue on radiation dosimetry, volume 46(2). The present issue, volume 48(6), completes the trilogy and attempts to explain neutron metrology, the youngest of the three disciplines, the neutron only having been discovered in 1932, to a wider audience and to highlight the relevance and importance of this field. When originally approached with the idea of this special issue, Section (III) immediately saw the value of a publication specifically on neutron metrology. It is a topic area where papers tend to be scattered throughout the literature in journals covering, for example, nuclear instrumentation, radiation protection or radiation measurements in general. Review articles tend to be few. People new to the field often ask for an introduction to the various topics. There are some excellent older textbooks, but these are now becoming obsolete. More experienced workers in specific areas of neutron metrology can find it difficult to know the latest position in related areas. The papers in this issue attempt, without presenting a purely historical outline, to describe the field in a sufficiently logical way to provide the novice with a clear introduction, while being sufficiently up-to-date to provide the more experienced reader with the latest scientific developments in the different topic areas. Neutron radiation fields obviously occur throughout the nuclear

  1. Neutron spin echo scattering angle measurement (SESAME)

    SciTech Connect

    Pynn, R.; Fitzsimmons, M.R.; Fritzsche, H.; Gierlings, M.; Major, J.; Jason, A.

    2005-05-15

    We describe experiments in which the neutron spin echo technique is used to measure neutron scattering angles. We have implemented the technique, dubbed spin echo scattering angle measurement (SESAME), using thin films of Permalloy electrodeposited on silicon wafers as sources of the magnetic fields within which neutron spins precess. With 30-{mu}m-thick films we resolve neutron scattering angles to about 0.02 deg. with neutrons of 4.66 A wavelength. This allows us to probe correlation lengths up to 200 nm in an application to small angle neutron scattering. We also demonstrate that SESAME can be used to separate specular and diffuse neutron reflection from surfaces at grazing incidence. In both of these cases, SESAME can make measurements at higher neutron intensity than is available with conventional methods because the angular resolution achieved is independent of the divergence of the neutron beam. Finally, we discuss the conditions under which SESAME might be used to probe in-plane structure in thin films and show that the method has advantages for incident neutron angles close to the critical angle because multiple scattering is automatically accounted for.

  2. Speckle in a thick diffuser

    NASA Astrophysics Data System (ADS)

    Chang, Nien-An

    Theory and experiments on speckle generated from a thick diffuser are presented in this thesis. An overview of speckle from a diffuser in a 4F optical processor gives a basic understanding of the speckle formation and properties. The speckle size depends on the F number of the system, while the interior properties of a diffuser are evident in the wavelength dependence of speckle. We then move on to analyzing speckle from a thick diffuser, which is composed of particles embedded in a host medium. Emphasis on the theory is placed on solving for the wavelength decorrelation of speckle in a thick diffuser. A brief overview of the scattering theory for a particle using the Lorenz-Mie theory is included. Then we present a careful analysis of the speckle created by propagation through a thick diffuser. In the analysis we use an angular spectrum approach that is valid in the non-paraxial case together with a decomposition of the thick diffuser into a cascade of many screens. This calculation is well-suited to numerical analysis and an original computer software program has been provided as an Appendix in this thesis. By adding the scattered field from the randomly-located particles on any screen and propagating through a free space between each screen, one can generate a speckled field after going through the whole cascade. The theoretical predictions are summarized and later compared with experimental results on a series of opal milk glass diffusers. In many practical applications it is particularly advantageous to have mild thick diffusers of controllable diffusivity. We have extensively studied a new diffuser series fabricated using polystyrene spheres of various diameters embedded in gelatin. Theory and experiments are in good agreement.

  3. Kinetics of Sr and Nd exchange in silicate liquids: Theory, experiments, and applications to uphill diffusion, isotopic equilibration, and irreversible mixing of magmas

    SciTech Connect

    Lesher, C.E.

    1994-05-10

    Diffusion coefficients that govern chemical and isotopic exchange of Sr and Nd were determined from compositional profiles developed between juxtaposed anhydrous basaltic and rhyolitic liquids. Analysis of simple diffusion couples involving isotopically enriched and normal tholeiitic basalt and metaluminous rhyolite recover Sr and Nd self-diffusion coefficients (D{sup *}) in the end-member compositions of contrasting polymerization. Self-diffusion of Sr is 7 times faster in basaltic melt than rhyolitic melt at 1255{degrees}C and 1 GPa, while self-diffusion of Nd is more than 1 order of magnitude greater in basalt than rhyolite. Also, at these conditions, D{sub Sr}{sup *} is a factor of 3 greater than D{sub Nd}{sup *} in basalt and an order of magnitude greater than D{sub Nd}{sup *} in rhyolite. The results of a Botlzmann-Matano analysis of {sup 87}Sr/{Sigma}Sr and {sup 144}Nd/{Sigma}Nd profiles of complex diffusion couples composed of isotopically normal basalt and enriched rhyolite yield diffusion coefficients for intermediate bulk compositions in agreement with interpolated values given by the relationships above. An important feature of the interdiffusion of basaltic and rhyolitic liquids is the equilibration of isotopic composition in advance of chemical homogenization. This behavior is best displayed by Sr in the present experiments and predicted for Nd. These results are considered in a magmatic context, where intimate blending of magmas during mixing is frustrated by large rheological contrasts and/or insufficient exposure time. Time-dependent diffusional exchange between mingling magmas leads to covariations in chemical and isotopic compositions that differ markedly from the expectations of bulk mixing. Examples presented offer alternative interpretations for the compositional relationships found among magmatic rocks of hybrid origin. 63 refs., 14 figs., 4 tabs.

  4. Diffusion Coefficients in White Dwarfs

    NASA Astrophysics Data System (ADS)

    Saumon, D.; Starrett, C. E.; Daligault, J.

    2015-06-01

    Models of diffusion in white dwarfs universally rely on the coefficients calculated by Paquette et al. (1986). We present new calculations of diffusion coefficients based on an advanced microscopic theory of dense plasmas and a numerical simulation approach that intrinsically accounts for multiple collisions. Our method is validated against a state-of-the-art method and we present results for the diffusion of carbon ions in a helium plasma.

  5. Gravitational Waves from Neutron Stars

    NASA Astrophysics Data System (ADS)

    Kokkotas, Konstantinos

    2016-03-01

    Neutron stars are the densest objects in the present Universe, attaining physical conditions of matter that cannot be replicated on Earth. These unique and irreproducible laboratories allow us to study physics in some of its most extreme regimes. More importantly, however, neutron stars allow us to formulate a number of fundamental questions that explore, in an intricate manner, the boundaries of our understanding of physics and of the Universe. The multifaceted nature of neutron stars involves a delicate interplay among astrophysics, gravitational physics, and nuclear physics. The research in the physics and astrophysics of neutron stars is expected to flourish and thrive in the next decade. The imminent direct detection of gravitational waves will turn gravitational physics into an observational science, and will provide us with a unique opportunity to make major breakthroughs in gravitational physics, in particle and high-energy astrophysics. These waves, which represent a basic prediction of Einstein's theory of general relativity but have yet to be detected directly, are produced in copious amounts, for instance, by tight binary neutron star and black hole systems, supernovae explosions, non-axisymmetric or unstable spinning neutron stars. The focus of the talk will be on the neutron star instabilities induced by rotation and the magnetic field. The conditions for the onset of these instabilities and their efficiency in gravitational waves will be presented. Finally, the dependence of the results and their impact on astrophysics and especially nuclear physics will be discussed.

  6. Fractional diffusion on bounded domains

    SciTech Connect

    Defterli, Ozlem; D'Elia, Marta; Du, Qiang; Gunzburger, Max Donald; Lehoucq, Richard B.; Meerschaert, Mark M.

    2015-03-13

    We found that the mathematically correct specification of a fractional differential equation on a bounded domain requires specification of appropriate boundary conditions, or their fractional analogue. In this paper we discuss the application of nonlocal diffusion theory to specify well-posed fractional diffusion equations on bounded domains.

  7. Neutron therapy of cancer

    NASA Technical Reports Server (NTRS)

    Frigerio, N. A.; Nellans, H. N.; Shaw, M. J.

    1969-01-01

    Reports relate applications of neutrons to the problem of cancer therapy. The biochemical and biophysical aspects of fast-neutron therapy, neutron-capture and neutron-conversion therapy with intermediate-range neutrons are presented. Also included is a computer program for neutron-gamma radiobiology.

  8. NEUTRONIC REACTOR

    DOEpatents

    Hurwitz, H. Jr.; Brooks, H.; Mannal, C.; Payne, J.H.; Luebke, E.A.

    1959-03-24

    A reactor of the heterogeneous, liquid cooled type is described. This reactor is comprised of a central region of a plurality of vertically disposed elongated tubes surrounded by a region of moderator material. The central region is comprised of a central core surrounded by a reflector region which is surrounded by a fast neutron absorber region, which in turn is surrounded by a slow neutron absorber region. Liquid sodium is used as the primary coolant and circulates through the core which contains the fuel elements. Control of the reactor is accomplished by varying the ability of the reflector region to reflect neutrons back into the core of the reactor. For this purpose the reflector is comprised of moderator and control elements having varying effects on reactivity, the control elements being arranged and actuated by groups to give regulation, shim, and safety control.

  9. A neutron diffraction study of the crystal of benzoic acid from 6 to 293 K and a macroscopic-scale quantum theory of the lattice of hydrogen-bonded dimers

    NASA Astrophysics Data System (ADS)

    Fillaux, François; Cousson, Alain

    2016-11-01

    Measurements via different techniques of the crystal of benzoic acid have led to conflicting conceptions of tautomerism: statistical disorder for diffraction; semiclassical jumps for relaxometry; quantum states for vibrational spectroscopy. We argue that these conflicts follow from the prejudice that nuclear positions and eigenstates are pre-existing to measurements, what is at variance with the principle of complementarity. We propose a self-contained quantum theory. First of all, new single-crystal neutron-diffraction data accord with long-range correlation for proton-site occupancies. Then we introduce a macroscopic-scale quantum-state emerging from phonon condensation, for which nuclear positions and eigenstates are indefinite. As to quantum-measurements, an incoming wave (neutron or photon) entangled with the condensate realizes a transitory state, either in the space of static nuclear-coordinates (diffraction), or in that of the symmetry coordinates (spectroscopy and relaxometry). We derive temperature-laws for proton-site occupancies and for the relaxation rate, which compare favorably with measurements.

  10. Development of the quantum theory of T-odd asymmetries for prescission and evaporated third particles in ternary nuclear fission induced by cold polarized neutrons

    SciTech Connect

    Kadmensky, S. G.; Bunakov, V. E.; Titova, L. V.; Kadmensky, S. S.

    2011-10-15

    A comparative analysis of the results obtained by experimentally and theoretically studying T-odd asymmetries for various third particles in the true and delayed ternary nuclear fission induced by cold polarized neutrons was performed. It was confirmed that the appearance of these asymmetries was associated with the effect of rotation of a polarized system undergoing fission on the angular distributions of prescission and evaporated third particles with respect to the direction along which the emerging fission fragments flew apart, this effect being determined by the Coriolis interaction of the rotational and the internalmotion of the fissioning system. A quantum-mechanical description of particle motion in a rotating coordinate system was generalized to the case where gamma-ray emission was present. It was shown that the separation of the motions of an axially symmetric fissile system into a rotational and an internal motion was valid in the external region as well, where ternary-fission products had already been formed, if it was considered that the motion of fission fragments was tightly connected with the system symmetry axis, which rotated in the laboratory frame. It was found that the dependence of the fissile-system moment of inertia appearing in the Coriolis interaction Hamiltonian on the distance between the fission fragments flying apart generated an additional phase in the amplitude of the radial distribution of fission fragments. It was shown that this phase might change sizably the contribution of the interference between fission amplitudes of neutron resonances excited in a fissile compound nucleus to the absolute values of T -odd asymmetries, especially for third particles such as neutrons and photons, which interacted only slightly with fission fragments.

  11. Physical basis for prompt-neutron activation analysis

    SciTech Connect

    Chrien, R.E.

    1982-01-01

    The technique called prompt ..gamma..-ray neutron activation analysis has been applied to rapid materials analysis. The radiation following the neutron radiation capture is prompt in the sense that the nuclear decay time is on the order of 10/sup -15/ second, and thus the technique is not strictly activation, but should be called radiation neutron capture spectroscopy or neutron capture ..gamma..-ray spectroscopy. This paper reviews the following: sources and detectors, theory of radiative capture, nonstatistical capture, giant dipole resonance, fast neutron capture, and thermal neutron capture ..gamma..-ray spectra. 14 figures.

  12. Anomalous hydrodynamics kicks neutron stars

    NASA Astrophysics Data System (ADS)

    Kaminski, Matthias; Uhlemann, Christoph F.; Bleicher, Marcus; Schaffner-Bielich, Jürgen

    2016-09-01

    Observations show that, at the beginning of their existence, neutron stars are accelerated briskly to velocities of up to a thousand kilometers per second. We argue that this remarkable effect can be explained as a manifestation of quantum anomalies on astrophysical scales. To theoretically describe the early stage in the life of neutron stars we use hydrodynamics as a systematic effective-field-theory framework. Within this framework, anomalies of the Standard Model of particle physics as underlying microscopic theory imply the presence of a particular set of transport terms, whose form is completely fixed by theoretical consistency. The resulting chiral transport effects in proto-neutron stars enhance neutrino emission along the internal magnetic field, and the recoil can explain the order of magnitude of the observed kick velocities.

  13. NEUTRONIC REACTOR

    DOEpatents

    Fermi, E.; Szilard, L.

    1957-09-24

    Reactors of the type employing plates of natural uranium in a moderator are discussed wherein the plates are um-formly disposed in parallel relationship to each other thereby separating the moderator material into distinct and individual layers. Each plate has an uninterrupted sunface area substantially equal to the cross-sectional area of the active portion of the reactor, the particular size of the plates and the volume ratio of moderator to uranium required to sustain a chain reaction being determinable from the known purity of these materials and other characteristics such as the predictable neutron losses due to the formation of radioactive elements of extremely high neutron capture cross section.

  14. NEUTRONIC REACTOR

    DOEpatents

    Wigner, E.P.; Weinberg, A.W.; Young, G.J.

    1958-04-15

    A nuclear reactor which uses uranium in the form of elongated tubes as fuel elements and liquid as a coolant is described. Elongated tubular uranium bodies are vertically disposed in an efficient neutron slowing agent, such as graphite, for example, to form a lattice structure which is disposed between upper and lower coolant tanks. Fluid coolant tubes extend through the uranium bodies and communicate with the upper and lower tanks and serve to convey the coolant through the uranium body. The reactor is also provided with means for circulating the cooling fluid through the coolant tanks and coolant tubes, suitable neutron and gnmma ray shields, and control means.

  15. Variational methods in steady state diffusion problems

    SciTech Connect

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

    1983-01-01

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

  16. Thermodynamics of diffusion

    NASA Astrophysics Data System (ADS)

    Matuszak, Daniel

    Diffusion is the migration of molecules in the reference frame of a system's center of mass and it is a physical process that occurs in all chemical and biological systems. Diffusion generally involves intermolecular interactions that lead to clustering, adsorption, and phase transitions; as such, it is difficult to describe theoretically on a molecular level in systems containing both intermolecular repulsions and attractions. This work describes a simple thermodynamic approach that accounts for intermolecular attractions and repulsions (much like how the van der Waals equation does) to model and help provide an understanding of diffusion. The approach is an extension of the equilibrium Lattice Density Functional Theory of Aranovich and Donohue; it was developed with Mason and Lonsdale's guidelines on how to construct and test a transport theory. In the framework of lattice fluids, this new approach gives (a) correct equilibrium limits, (b) Fickian behavior for non-interacting systems, (c) correct departures from Fickian behavior in non-ideal systems, (d) the correct Maxwell-Stefan formulation, (e) symmetry behavior upon re-labeling species, (f) reasonable non-equilibrium phase behavior, (g) agreement with Molecular Dynamics simulations, (h) agreement with the theory of non-equilibrium thermodynamics, (i) a vanishing diffusive flux at the critical point, and (j) other qualitatively-correct behaviors when applied to problems in porous membranes and in packed beds.

  17. Neutron fluctuations: The importance of being delayed.

    PubMed

    Houchmandzadeh, B; Dumonteil, E; Mazzolo, A; Zoia, A

    2015-11-01

    The neutron population in a nuclear reactor is subject to fluctuations in time and in space due to the competition of diffusion by scattering, births by fission events, and deaths by absorptions. As such, fission chains provide a prototype model for the study of spatial clustering phenomena. In order for the reactor to be operated in stationary conditions at the critical point, the population of prompt neutrons instantaneously emitted at fission must be in equilibrium with the much smaller population of delayed neutrons, emitted after a Poissonian time by nuclear decay of the fissioned nuclei. In this work, we will show that the delayed neutrons, although representing a tiny fraction of the total number of neutrons in the reactor, actually have a key impact on the fluctuations, and their contribution is very effective in quenching the spatial clustering. PMID:26651654

  18. Neutron fluctuations: The importance of being delayed

    NASA Astrophysics Data System (ADS)

    Houchmandzadeh, B.; Dumonteil, E.; Mazzolo, A.; Zoia, A.

    2015-11-01

    The neutron population in a nuclear reactor is subject to fluctuations in time and in space due to the competition of diffusion by scattering, births by fission events, and deaths by absorptions. As such, fission chains provide a prototype model for the study of spatial clustering phenomena. In order for the reactor to be operated in stationary conditions at the critical point, the population of prompt neutrons instantaneously emitted at fission must be in equilibrium with the much smaller population of delayed neutrons, emitted after a Poissonian time by nuclear decay of the fissioned nuclei. In this work, we will show that the delayed neutrons, although representing a tiny fraction of the total number of neutrons in the reactor, actually have a key impact on the fluctuations, and their contribution is very effective in quenching the spatial clustering.

  19. Self-Diffusion in Amorphous Silicon.

    PubMed

    Strauß, Florian; Dörrer, Lars; Geue, Thomas; Stahn, Jochen; Koutsioubas, Alexandros; Mattauch, Stefan; Schmidt, Harald

    2016-01-15

    The present Letter reports on self-diffusion in amorphous silicon. Experiments were done on ^{29}Si/^{nat}Si heterostructures using neutron reflectometry and secondary ion mass spectrometry. The diffusivities follow the Arrhenius law in the temperature range between 550 and 700 °C with an activation energy of (4.4±0.3)  eV. In comparison with single crystalline silicon the diffusivities are tremendously higher by 5 orders of magnitude at about 700 °C, which can be interpreted as the consequence of a high diffusion entropy. PMID:26824552

  20. Total body calcium analysis. [neutron irradiation

    NASA Technical Reports Server (NTRS)

    Lewellen, T. K.; Nelp, W. B.

    1974-01-01

    A technique to quantitate total body calcium in humans is developed. Total body neutron irradiation is utilized to produce argon 37. The radio argon, which diffuses into the blood stream and is excreted through the lungs, is recovered from the exhaled breath and counted inside a proportional detector. Emphasis is placed on: (1) measurement of the rate of excretion of radio argon following total body neutron irradiation; (2) the development of the radio argon collection, purification, and counting systems; and (3) development of a patient irradiation facility using a 14 MeV neutron generator. Results and applications are discussed in detail.

  1. Neutronic reactor

    DOEpatents

    Carleton, John T.

    1977-01-25

    A graphite-moderated nuclear reactor includes channels between blocks of graphite and also includes spacer blocks between adjacent channeled blocks with an axis of extension normal to that of the axis of elongation of the channeled blocks to minimize changes in the physical properties of the graphite as a result of prolonged neutron bombardment.

  2. NEUTRONIC REACTORS

    DOEpatents

    Anderson, H.L.

    1958-10-01

    The design of control rods for nuclear reactors are described. In this design the control rod consists essentially of an elongated member constructed in part of a neutron absorbing material and having tube means extending therethrough for conducting a liquid to cool the rod when in use.

  3. NEUTRONIC REACTOR

    DOEpatents

    Wigner, E.P.

    1960-09-27

    A unit assembly is described for a neutronic reactor comprising a tube and plurality of spaced parallel sandwiches in the tube extending lengthwise thereof, each sandwich including a middle plate having a central opening for plutonium and other openings for fertile material at opposite ends of the plate.

  4. Global shielding analysis for the three-element core advanced neutron source reactor under normal operating conditions

    SciTech Connect

    Slater, C.O.; Bucholz, J.A.

    1995-08-01

    Two-dimensional discrete ordinates radiation transport calculations were performed for a model of the three-element core Advanced Neutron Source reactor design under normal operating conditions. The core consists of two concentric upper elements and a lower element radially centered in the annulus between the upper elements. The initial radiation transport calculations were performed with the DORT two-dimensional discrete ordinates radiation transport code using the 39-neutron-group/44-gamma-ray-group ANSL-V cross-section library, an S{sub 6} quadrature, and a P{sub 1} Legendre polynomial expansion of the cross sections to determine the fission neutron source distribution in the core fuel elements. These calculations were limited to neutron groups only. The final radiation transport calculations, also performed with DORT using the 39-neutron-group/44-gamma-ray-group ANSL-V cross-section library, an S{sub l0} quadrature, and a P{sub 3} Legendre polynomial expansion of the cross sections, produced neutron and gamma-ray fluxes over the full extent of the geometry model. Responses (or activities) at various locations in the model were then obtained by folding the appropriate response functions with the fluxes at those locations. Some comparisons were made with VENTURE-calculated (diffusion theory) 20-group neutron fluxes that were summed into four broad groups. Tne results were in reasonably good agreement when the effects of photoneutrons were not included, thus verifying the physics model upon which the shielding model was based. Photoneutrons increased the fast-neutron flux levels deep within the D{sub 2}0 several orders of magnitude. Results are presented as tables of activity values for selected radial and axial traverses, plots of the radial and axial traverse data, and activity contours superimposed on the calculational geometry model.

  5. Methods for absorbing neutrons

    DOEpatents

    Guillen, Donna P.; Longhurst, Glen R.; Porter, Douglas L.; Parry, James R.

    2012-07-24

    A conduction cooled neutron absorber may include a metal matrix composite that comprises a metal having a thermal neutron cross-section of at least about 50 barns and a metal having a thermal conductivity of at least about 1 W/cmK. Apparatus for providing a neutron flux having a high fast-to-thermal neutron ratio may include a source of neutrons that produces fast neutrons and thermal neutrons. A neutron absorber positioned adjacent the neutron source absorbs at least some of the thermal neutrons so that a region adjacent the neutron absorber has a fast-to-thermal neutron ratio of at least about 15. A coolant in thermal contact with the neutron absorber removes heat from the neutron absorber.

  6. Methods for Neutron Spectrometry

    DOE R&D Accomplishments Database

    Brockhouse, Bertram N.

    1961-01-09

    The appropriate theories and the general philosophy of methods of measurement and treatment of data neutron spectrometry are discussed. Methods of analysis of results for liquids using the Van Hove formulation, and for crystals using the Born-von Karman theory, are reviewed. The most useful of the available methods of measurement are considered to be the crystal spectrometer methods and the pulsed monoenergetic beam/time-of-flight method. Pulsed-beam spectrometers have the advantage of higher counting rates than crystal spectrometers, especially in view of the fact that simultaneous measurements in several counters at different angles of scattering are possible in pulsed-beam spectrometers. The crystal spectrometer permits several valuable new types of specialized experiments to be performed, especially energy distribution measurements at constant momentum transfer. The Chalk River triple-axis crystal-spectrometer is discussed, with reference to its use in making the specialized experiments. The Chalk River rotating crystal (pulsed-beam) spectrometer is described, and a comparison of this type instrument with other pulsed-beam spectrometers is made. A partial outline of the theory of operation of rotating-crystal spectrometers is presented. The use of quartz-crystal filters for fast neutron elimination and for order elimination is discussed. (auth)

  7. Registration of Neutrons Within 2 Milliseconds after EAS

    NASA Astrophysics Data System (ADS)

    JȨDRZEJCZAK, K.; Karczmarczyk, J.; Kasztelan, M.; Petrochenkov, S. A.; Polański, A.; Swarzyński, J.; Szabelski, J.; Wibig, T.

    We register an excess of signals from neutron detectors within a few milliseconds after passage of EAS front in Łódź EAS array. The most probable explanation is that neutrons are produced in EAS hadron interactions with lead block of muon detector. These neutrons diffuse and are thermalized before the detection. We present experimental data and results of simulations using MCNP code. This "new EAS observable" can be used as inexpensive hadron detector in EAS.

  8. Recent Advances in Neutron Physics

    ERIC Educational Resources Information Center

    Feshbach, Herman; Sheldon, Eric

    1977-01-01

    Discusses new studies in neutron physics within the last decade, such as ultracold neutrons, neutron bottles, resonance behavior, subthreshold fission, doubly radiative capture, and neutron stars. (MLH)

  9. Random diffusion model.

    PubMed

    Mazenko, Gene F

    2008-09-01

    We study the random diffusion model. This is a continuum model for a conserved scalar density field varphi driven by diffusive dynamics. The interesting feature of the dynamics is that the bare diffusion coefficient D is density dependent. In the simplest case, D=D[over ]+D_{1}deltavarphi , where D[over ] is the constant average diffusion constant. In the case where the driving effective Hamiltonian is quadratic, the model can be treated using perturbation theory in terms of the single nonlinear coupling D1 . We develop perturbation theory to fourth order in D1 . The are two ways of analyzing this perturbation theory. In one approach, developed by Kawasaki, at one-loop order one finds mode-coupling theory with an ergodic-nonergodic transition. An alternative more direct interpretation at one-loop order leads to a slowing down as the nonlinear coupling increases. Eventually one hits a critical coupling where the time decay becomes algebraic. Near this critical coupling a weak peak develops at a wave number well above the peak at q=0 associated with the conservation law. The width of this peak in Fourier space decreases with time and can be identified with a characteristic kinetic length which grows with a power law in time. For stronger coupling the system becomes metastable and then unstable. At two-loop order it is shown that the ergodic-nonergodic transition is not supported. It is demonstrated that the critical properties of the direct approach survive, going to higher order in perturbation theory.

  10. Neutron reflecting supermirror structure

    DOEpatents

    Wood, J.L.

    1992-12-01

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources. 2 figs.

  11. Neutron reflecting supermirror structure

    DOEpatents

    Wood, James L.

    1992-01-01

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources.

  12. Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory.

    PubMed

    Tedesco, J C G; Pedro, S S; Caraballo Vivas, R J; Cruz, C; Andrade, V M; Dos Santos, A M; Carvalho, A M G; Costa, M; Venezuela, P; Rocco, D L; Reis, M S

    2016-11-30

    Fe2MnSi fails to follow the Slater-Pauling rule. This phenomenon is thought to originate from either: (i) an antiferromagnetic arrangement of Mn ions at low temperature and/or (ii) chemical disorder. An important insight on this issue could be achieved by considering Fe2MnSi1-x Ga x compounds, thoroughly studied here by means of magnetization, neutron diffraction and density functional calculations (DFT). Our results indicate that chemical disorder (and not the antiferromagnetic arrangement) is responsible for the deviation of the Slater-Pauling rule on Fe2MnSi-based Heusler alloys. Furthermore, evidences suggest that Ga substitution into Si site favors the Fe/Mn disorder, further enhancing the observed deviation. PMID:27633814

  13. Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory.

    PubMed

    Tedesco, J C G; Pedro, S S; Caraballo Vivas, R J; Cruz, C; Andrade, V M; Dos Santos, A M; Carvalho, A M G; Costa, M; Venezuela, P; Rocco, D L; Reis, M S

    2016-11-30

    Fe2MnSi fails to follow the Slater-Pauling rule. This phenomenon is thought to originate from either: (i) an antiferromagnetic arrangement of Mn ions at low temperature and/or (ii) chemical disorder. An important insight on this issue could be achieved by considering Fe2MnSi1-x Ga x compounds, thoroughly studied here by means of magnetization, neutron diffraction and density functional calculations (DFT). Our results indicate that chemical disorder (and not the antiferromagnetic arrangement) is responsible for the deviation of the Slater-Pauling rule on Fe2MnSi-based Heusler alloys. Furthermore, evidences suggest that Ga substitution into Si site favors the Fe/Mn disorder, further enhancing the observed deviation.

  14. Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory

    NASA Astrophysics Data System (ADS)

    Tedesco, J. C. G.; Pedro, S. S.; Caraballo Vivas, R. J.; Cruz, C.; Andrade, V. M.; dos Santos, A. M.; Carvalho, A. M. G.; Costa, M.; Venezuela, P.; Rocco, D. L.; Reis, M. S.

    2016-11-01

    Fe2MnSi fails to follow the Slater-Pauling rule. This phenomenon is thought to originate from either: (i) an antiferromagnetic arrangement of Mn ions at low temperature and/or (ii) chemical disorder. An important insight on this issue could be achieved by considering Fe2MnSi1-x Ga x compounds, thoroughly studied here by means of magnetization, neutron diffraction and density functional calculations (DFT). Our results indicate that chemical disorder (and not the antiferromagnetic arrangement) is responsible for the deviation of the Slater-Pauling rule on Fe2MnSi-based Heusler alloys. Furthermore, evidences suggest that Ga substitution into Si site favors the Fe/Mn disorder, further enhancing the observed deviation.

  15. Vaneless diffusers

    NASA Astrophysics Data System (ADS)

    Senoo, Y.

    The influence of vaneless diffusers on flow in centrifugal compressors, particularly on surge, is discussed. A vaneless diffuser can demonstrate stable operation in a wide flow range only if it is installed with a backward leaning blade impeller. The circumferential distortion of flow in the impeller disappears quickly in the vaneless diffuser. The axial distortion of flow at the diffuser inlet does not decay easily. In large specific speed compressors, flow out of the impeller is distorted axially. Pressure recovery of diffusers at distorted inlet flow is considerably improved by half guide vanes. The best height of the vanes is a little 1/2 diffuser width. In small specific speed compressors, flow out of the impeller is not much distorted and pressure recovery can be predicted with one-dimensional flow analysis. Wall friction loss is significant in narrow diffusers. The large pressure drop at a small flow rate can cause the positive gradient of the pressure-flow rate characteristic curve, which may cause surging.

  16. Quasielastic Neutron Scattering Study on Polymer Nanocomposites

    NASA Astrophysics Data System (ADS)

    Masui, T.; Kishimoto, H.; Kikuchi, T.; Ohira-Kawamura, S.; Inamura, Y.; Koga, T.; Nakajima, K.

    2014-04-01

    By using a quasielastic neutron scattering technique (disk-chopper-type spectrometer AMATERAS at J-PARC), we have investigated the microscopic dynamics of polybutadiene (PB) in which silica particles were embedded. The experimental results gave us both a damped vibration mode of PB and jumped diffusion motion of the segments. It was found that these dynamical features remain unaffected by the presence of the silica particle, while the residence time of the jumped diffusion motion becomes longer at the high filler loading.

  17. Variational Theory of Hot Dense Matter

    ERIC Educational Resources Information Center

    Mukherjee, Abhishek

    2009-01-01

    We develop a variational theory of hot nuclear matter in neutron stars and supernovae. It can also be used to study charged, hot nuclear matter which may be produced in heavy-ion collisions. This theory is a generalization of the variational theory of cold nuclear and neutron star matter based on realistic models of nuclear forces and pair…

  18. Diffusion barriers

    NASA Technical Reports Server (NTRS)

    Nicolet, M. A.

    1983-01-01

    The choice of the metallic film for the contact to a semiconductor device is discussed. One way to try to stabilize a contact is by interposing a thin film of a material that has low diffusivity for the atoms in question. This thin film application is known as a diffusion barrier. Three types of barriers can be distinguished. The stuffed barrier derives its low atomic diffusivity to impurities that concentrate along the extended defects of a polycrystalline layer. Sacrificial barriers exploit the fact that some (elemental) thin films react in a laterally uniform and reproducible fashion. Sacrificial barriers have the advantage that the point of their failure is predictable. Passive barriers are those most closely approximating an ideal barrier. The most-studied case is that of sputtered TiN films. Stuffed barriers may be viewed as passive barriers whose low diffusivity material extends along the defects of the polycrystalline host.

  19. Theory and application of deterministic multidimensional pointwise energy lattice physics method

    SciTech Connect

    Zerkle, M.L.

    1999-10-05

    The theory and application of deterministic, multidimensional, pointwise energy lattice physics methods are discussed. These methods may be used to solve the neutron transport equation in multidimensional geometries using near-continuous energy detail to calculate equivalent few-group diffusion theory constants that rigorously account for spatial and spectral self-shielding effects. A dual energy resolution slowing down algorithm is described which reduces the computer memory and disk storage requirements for the slowing down calculation. Results are presented for a 2D BWR pin cell depletion benchmark problem.

  20. NEUTRONIC REACTORS

    DOEpatents

    Vernon, H.C.

    1959-01-13

    A neutronic reactor of the heterogeneous, fluid cooled tvpe is described. The reactor is comprised of a pressure vessel containing the moderator and a plurality of vertically disposed channels extending in spaced relationship through the moderator. Fissionable fuel material is placed within the channels in spaced relationship thereto to permit circulation of the coolant fluid. Separate means are provided for cooling the moderator and for circulating a fluid coolant thru the channel elements to cool the fuel material.

  1. Reaction-diffusion waves in biology.

    PubMed

    Volpert, V; Petrovskii, S

    2009-12-01

    The theory of reaction-diffusion waves begins in the 1930s with the works in population dynamics, combustion theory and chemical kinetics. At the present time, it is a well developed area of research which includes qualitative properties of travelling waves for the scalar reaction-diffusion equation and for system of equations, complex nonlinear dynamics, numerous applications in physics, chemistry, biology, medicine. This paper reviews biological applications of reaction-diffusion waves. PMID:20416847

  2. Neutronics code VALE for two-dimensional triagonal (hexagonal) and three-dimensional geometries

    SciTech Connect

    Vondy, D.R.; Fowler, T.B.

    1981-08-01

    This report documents the computer code VALE designed to solve multigroup neutronics problems with the diffusion theory approximation to neutron transport for a triagonal arrangement of mesh points on planes in two- and three-dimensional geometry. This code parallels the VENTURE neutronics code in the local computation system, making exposure and fuel management capabilities available. It uses and generates interface data files adopted in the cooperative effort sponsored by Reactor Physics RRT Division of the US DOE. The programming in FORTRAN is straightforward, although data is transferred in blocks between auxiliary storage devices and main core, and direct access schemes are used. The size of problems which can be handled is essentially limited only by cost of calculation since the arrays are variably dimensioned. The memory requirement is held down while data transfer during iteration is increased only as necessary with problem size. There is provision for the more common boundary conditions including the repeating boundary, 180/sup 0/ rotational symmetry, and the rotational symmetry conditions for the 30/sup 0/, 60/sup 0/, and 120/sup 0/ triangular grids on planes. A variety of types of problems may be solved: the usual neutron flux eignevalue problem, or a direct criticality search on the buckling, on a reciprocal velocity absorber (prompt mode), or on nuclide concentrations. The adjoint problem and fixed source problem may be solved, as well as the dominating higher harmonic, or the importance problem for an arbitrary fixed source.

  3. Application of Bogolyubov's theory of weakly nonideal Bose gases to the A+A, A+B, B+B reaction-diffusion system.

    PubMed

    Konkoli, Zoran

    2004-01-01

    Theoretical methods for dealing with diffusion-controlled reactions inevitably rely on some kind of approximation, and to find the one that works on a particular problem is not always easy. Here the approximation used by Bogolyubov to study a weakly nonideal Bose gas, referred to as the weakly nonideal Bose gas approximation (WBGA), is applied in the analysis of three reaction-diffusion models: (i) A+A-->Ø, (ii) A+B-->Ø, and (iii) A+A,B+B,A+B-->Ø (the ABBA model). Two types of WBGA are considered, the simpler WBGA-I and the more complicated WBGA-II. All models are defined on the lattice to facilitate comparison with computer experiment (simulation). It is found that the WBGA describes the A+B reaction well, it reproduces the correct d/4 density decay exponent. However, it fails in the case of the A+A reaction and the ABBA model. (To cure the deficiency of WBGA in dealing with the A+A model, a hybrid of the WBGA and Kirkwood superposition approximations is suggested.) It is shown that the WBGA-I is identical to the dressed-tree calculation suggested by Lee [J. Phys. A 27, 2633 (1994)], and that the dressed-tree calculation does not lead to the d/2 density decay exponent when applied to the A+A reaction, as normally believed, but it predicts the d/4 decay exponent. Last, the usage of the small n(0) approximation suggested by Mattis and Glasser [Rev. Mod. Phys. 70, 979 (1998)] is questioned if used beyond the A+B reaction-diffusion model. PMID:14995603

  4. Adoption of Moringa oleifera to combat under-nutrition viewed through the lens of the “Diffusion of Innovations” theory

    PubMed Central

    Thurber, Melanie D.; Fahey, Jed W.

    2009-01-01

    Moringa oleifera, an edible tree found worldwide in the dry tropics, is increasingly being used for nutritional supplementation. Its nutrient-dense leaves are high in protein quality, leading to its widespread use by doctors, healers, nutritionists and community leaders, to treat under-nutrition and a variety of illnesses. Despite the fact that no rigorous clinical trial has tested its efficacy for treating under-nutrition, the adoption of M. oleifera continues to increase. The “Diffusion of innovations theory” describes well, the evidence for growth and adoption of dietary M. oleifera leaves, and it highlights the need for a scientific consensus on the nutritional benefits. PMID:20161339

  5. Density functional theory insights into the structural stability and Li diffusion properties of monoclinic and orthorhombic Li2FeSiO4 cathodes

    NASA Astrophysics Data System (ADS)

    Lu, Xia; Chiu, Hsien-Chieh; Bevan, Kirk H.; Jiang, De-Tong; Zaghib, Karim; Demopoulos, George P.

    2016-06-01

    Lithium iron orthosilicate (Li2FeSiO4) is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced great challenges arising from significant structural complexity, including the disordered arrangement/orientation of Fe/Si tetrahedra, polytypes and its poorly understood Li storage and transport properties. In this context, ab-initio calculations are employed to investigate the phase stability and Li diffusion profiles of both monoclinic (P21) and orthorhombic (Pmn21) Li2FeSiO4 orthosilicates. The calculations demonstrate that formation of Lisbnd Fe antisites can induce a metastability competition between both phases, with neither dominating across nearly the entire discharging profile from Li2FeSiO4 through to LiFeSiO4. Furthermore, structural instability is shown to be a serious concern at discharge concentrations below LiFeSiO4 (1 Li extraction) due to the shared occupation of Li donated electrons with oxygen 2p orbitals - rather than the hypothesized transition to a tetravalent Fe4+ state. This finding is further supported by diffusion calculations that have determined a high activation energy barrier towards fast charging and rapid phase transitions. In summary, these theoretical results provide critical and timely insight into the structural dynamics of lithium iron orthosilicate, in pursuit of high energy density cathodes.

  6. Fast neutron environments.

    SciTech Connect

    Buchheit, Thomas Edward; Kotula, Paul Gabriel; Lu, Ping; Brewer, Luke N.; Goods, Steven Howard; Foiles, Stephen Martin; Puskar, Joseph David; Hattar, Khalid Mikhiel; Doyle, Barney Lee; Boyce, Brad Lee; Clark, Blythe G.

    2011-10-01

    The goal of this LDRD project is to develop a rapid first-order experimental procedure for the testing of advanced cladding materials that may be considered for generation IV nuclear reactors. In order to investigate this, a technique was developed to expose the coupons of potential materials to high displacement damage at elevated temperatures to simulate the neutron environment expected in Generation IV reactors. This was completed through a high temperature high-energy heavy-ion implantation. The mechanical properties of the ion irradiated region were tested by either micropillar compression or nanoindentation to determine the local properties, as a function of the implantation dose and exposure temperature. In order to directly compare the microstructural evolution and property degradation from the accelerated testing and classical neutron testing, 316L, 409, and 420 stainless steels were tested. In addition, two sets of diffusion couples from 316L and HT9 stainless steels with various refractory metals. This study has shown that if the ion irradiation size scale is taken into consideration when developing and analyzing the mechanical property data, significant insight into the structural properties of the potential cladding materials can be gained in about a week.

  7. Impact of delayed neutron precursor mobility in fissile solution systems

    SciTech Connect

    Kiedrowski, B. C.

    2012-07-01

    A research version of the Monte Carlo software package MCNP6 is modified to incorporate advection and diffusion of delayed neutron precursors, resulting in the emission of delayed neutrons at locations different from the original fission sites. Results of two test problems, a pipe carrying flowing fissile solution and a sphere of fissile solution with precursor diffusion, show that the fission product mobility tends to perturb the fundamental mode, has a negative reactivity effect, and, perhaps most importantly, causes a decrease in the effective delayed neutron fraction. (authors)

  8. Neutron crosstalk between liquid scintillators

    DOE PAGES

    Verbeke, J. M.; Prasad, M. K.; Snyderman, N. J.

    2015-05-01

    We propose a method to quantify the fractions of neutrons scattering between liquid scintillators. Using a spontaneous fission source, this method can be utilized to quickly characterize an array of liquid scintillators in terms of crosstalk. The point model theory due to Feynman is corrected to account for these multiple scatterings. Using spectral information measured by the liquid scintillators, fractions of multiple scattering can be estimated, and mass reconstruction of fissile materials under investigation can be improved. Monte Carlo simulations of mono-energetic neutron sources were performed to estimate neutron crosstalk. A californium source in an array of liquid scintillators wasmore » modeled to illustrate the improvement of the mass reconstruction.« less

  9. Orbital topography and other astrophysical consequences of Rosen's bimetric theory of gravity. [black holes hypothesis and neutron star upper mass limits

    NASA Technical Reports Server (NTRS)

    Stoeger, W. R.

    1978-01-01

    Since Rosen's bimetric theory of gravity provides at present a worthy devil's advocate for the black hole hypothesis, it is important for eventual observational work to elaborate the astrophysical consequences and possibilities peculiar to it. This work is begun by deriving the orbital topography of the spherically symmetric solution to Rosen's field equations - which is relevant to the behavior of relativistic axisymmetric accretion flows - and calculating predicted accretion disk efficiencies, which can be as much as 2.5 times higher than for a disk in Schwarzschild. Thereafter, a brief treatment of the shortest kinematic time scale and the time dilations for in-falling material is given. Finally it is shown that Birkhoff's theorem does not hold in Rosen's theory, and, therefore, that genuine gravitational monopole radiation is possible. The energy it carries, however, is not positive definite.

  10. Conceptual design of an RFQ accelerator-based neutron source for boron neutron-capture therapy

    SciTech Connect

    Wangler, T.P.; Stovall, J.E.; Bhatia, T.S.; Wang, C.K.; Blue, T.E.; Gahbauer, R.A.

    1989-01-01

    We present a conceptual design of a low-energy neutron generator for treatment of brain tumors by boron neutron capture theory (BNCT). The concept is based on a 2.5-MeV proton beam from a radio-frequency quadrupole (RFQ) linac, and the neutrons are produced by the /sup 7/Li(p,n)/sup 7/Be reaction. A liquid lithium target and modulator assembly are designed to provide a high flux of epithermal neutrons. The patient is administered a tumor-specific /sup 10/Be-enriched compound and is irradiated by the neutrons to create a highly localized dose from the reaction /sup 10/B(n,..cap alpha..)/sup 7/Li. An RFQ accelerator-based neutron source for BNCT is compact, which makes it practical to site the facility within a hospital. 11 refs., 5 figs., 1 tab.

  11. Room temperature single-crystal diffuse scattering and ab initio lattice dynamics in CaTiSiO5

    NASA Astrophysics Data System (ADS)

    Gutmann, M. J.; Refson, K.; Zimmermann, M. v.; Swainson, I. P.; Dabkowski, A.; Dabkowska, H.

    2013-08-01

    Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy x-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its origin to be primarily due to thermal motion of the atoms. Ab initio phonons are calculated using density-functional perturbation theory and are shown to reproduce the experimental diffuse scattering. The observed diffuse x-ray and neutron scattering patterns are consistent with a summation of mode frequencies and displacement eigenvectors associated with the entire phonon spectrum, rather than with a simple, short-range static displacement. A band gap is observed between 600 and 700 cm-1 with only two modes crossing this region, both associated with antiferroelectric Ti-O motion along a. One of these modes (of Bu symmetry), displays a large LO-TO mode-splitting (562-701.4 cm-1) and has a dominant component coming from Ti-O bond-stretching and, thus, the mode-splitting is related to the polarizability of the Ti-O bonds along the chain direction. Similar mode-splitting is observed in piezo- and ferroelectric materials. The calculated phonon dispersion model may be of use to others in future to understand the phase transition at higher temperatures, as well as in the interpretation of measured phonon dispersion curves.

  12. Scale-Invariant Forms of Conservation Equations in Reactive Fields and a Modified Hydro-Thermo-Diffusive Theory of Laminar Flames

    NASA Technical Reports Server (NTRS)

    Sohrab, Siavash H.; Piltch, Nancy (Technical Monitor)

    2000-01-01

    A scale-invariant model of statistical mechanics is applied to present invariant forms of mass, energy, linear, and angular momentum conservation equations in reactive fields. The resulting conservation equations at molecular-dynamic scale are solved by the method of large activation energy asymptotics to describe the hydro-thermo-diffusive structure of laminar premixed flames. The predicted temperature and velocity profiles are in agreement with the observations. Also, with realistic physico-chemical properties and chemical-kinetic parameters for a single-step overall combustion of stoichiometric methane-air premixed flame, the laminar flame propagation velocity of 42.1 cm/s is calculated in agreement with the experimental value.

  13. Theory of Josephson effect in Sr 2RuO 4/diffusive normal metal/Sr 2RuO 4 junctions

    NASA Astrophysics Data System (ADS)

    Sawa, Y.; Yokoyama, T.; Tanaka, Y.; Golubov, A. A.

    2007-10-01

    We derive a generalized Nazarov's boundary condition for diffusive normal metal (DN)/chiral p-wave superconductor (CP) interface including the macroscopic phase of the superconductor. The Josephson effect is studied in CP/DN/CP junctions solving the Usadel equations under the above boundary condition. We find that, enhancement of a critical current at low temperature is small compared with that in px-wave /DN/px-wave junctions. As a result, temperature dependence of the critical current in these junctions is similar to that in conventional junctions. The result is consistent with the experiment in Sr2RuO4-Sr3RuO7 eutectic junctions. Similar feature is also found in current-phase relation.

  14. Radiative Corrections for Neutron Decay and Search for New Physics

    PubMed Central

    Gudkov, V.; Kubodera, K.; Myhrer, F.

    2005-01-01

    The expected increased accuracy of neutron β-decay experiments at the new Spallation Neutron Source could result in more stringent tests of the Standard Model. For an unambiguous search for new physics in neutron decay experiments and for a precise determination of fundamental constants, it is necessarily to understand and evaluate all corrections for neutron decay with higher accuracy than the expected experimental precision. We discuss the possibility to estimate the accuracy of radiative corrections. New results based on the applications of effective field theory for neutron decay is presented. PMID:27308143

  15. NEUTRON COUNTER

    DOEpatents

    Curtis, C.D.; Carlson, R.L.; Tubinis, M.P.

    1958-07-29

    An ionization chamber instrument is described for cylindrical electrodes with an ionizing gag filling the channber. The inner electrode is held in place by a hermetic insulating seal at one end of the outer electrode, the other end of the outer electrode being closed by a gas filling tube. The outer surface of the inner electrode is coated with an active material which is responsive to neutron bombardment, such as uranium235 or boron-10, to produce ionizing radiations in the gas. The transverse cross sectional area of the inner electrode is small in relation to that of the channber whereby substantially all of the radiations are directed toward the outer electrode.

  16. NEUTRON SOURCE

    DOEpatents

    Reardon, W.A.; Lennox, D.H.; Nobles, R.G.

    1959-01-13

    A neutron source of the antimony--beryllium type is presented. The source is comprised of a solid mass of beryllium having a cylindrical recess extending therein and a cylinder containing antimony-124 slidably disposed within the cylindrical recess. The antimony cylinder is encased in aluminum. A berylliunn plug is removably inserted in the open end of the cylindrical recess to completely enclose the antimony cylinder in bsryllium. The plug and antimony cylinder are each provided with a stud on their upper ends to facilitate handling remotely.

  17. Analysis of a link of embrittlement mechanisms and neutron flux effect as applied to reactor pressure vessel materials of WWER

    NASA Astrophysics Data System (ADS)

    Margolin, B. Z.; Yurchenko, E. V.; Morozov, A. M.; Pirogova, N. E.; Brumovsky, M.

    2013-03-01

    The effect of neutron flux on embrittlement of WWER RPV materials is analyzed for cases when different radiation defects prevail. Data bases on the ductile-brittle transition temperature shifts obtained in the surveillance specimens programs and the research programs are used. The material embrittlement mechanisms for which the flux effect is practically absent and for which the flux effect is remarkable are determined. For case when the phosphorus segregation mechanism dominates the theoretical justification of the absence of the flux effect is performed on the basis of the theory of radiation-enhanced diffusion.

  18. Radiative decay of the free neutron

    SciTech Connect

    Gentile, T. R.; Dewey, M. S.; Fisher, B. M.; Mumm, H. P.; Nico, J. S.; Thompson, A. K.; Chupp, T. E.; Cooper, R. L.; Kremsky, I.; Wietfeldt, F. E.; Beise, E. J.; Breuer, H.; Hood, J.; Kiriluk, K. G.; McGonagle, M.; Byrne, J.; Coakley, K. J.

    2007-10-26

    The theory of quantum electrodynamics predicts that beta decay of the neutron into a proton, electron, and antineutrino should be accompanied by a continuous spectrum of soft photons. We recently reported the first observation of this radiative decay mode of the neutron, measured by recording photons in coincidence with both the electron and proton emitted in neutron decay. The experiment was performed on the NG-6 Fundamental Physics Beam Line at the National Institute of Standards and Technology (NIST) Center for Neutron Research (NCNR). A new experiment is under development to measure both the branching ratio and energy spectrum for radiative decay with a relative standard uncertainty of a few percent. We briefly review the fundamental neutron physics program at the NCNR and describe the new radiative decay experiment.

  19. Cosmological baryon diffusion and nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Applegate, James H.; Hogan, Craig J.; Scherrer, Robert J.

    1987-02-01

    The diffusion rate of baryons through the big-bang plasma is calculated. Fluctuations in baryon density in the early Universe lead to inhomogeneities in the neutron-proton ratio, due to the differential diffusion of these particles through the radiation plasma. For certain types of nonlinear fluctuations, some nucleosynthesis would occur in very neutron-rich regions. Nuclear products of homogeneous neutron-enriched regions are evaluated numerically using a standard reaction network and these results are used to estimate final abundances in an inhomogeneous universe. Net deuterium and lithium abundances tend to increase and the net helium abundance tends to decrease compared to an unperturbed standard model. It is suggested that pronounced nonlinear baryon-density fluctuations produced in QCD- or electroweak-epoch phase transitions could alter abundances sufficiently to make a closed baryonic universe consistent with current observations of these elements. In such a model the abundance of heavier elements (C,N,O, etc.) increases significantly and approaches observable levels. Abundances can be used to place constraints on extreme scenarios for phase transitions at these epochs.

  20. A Numerical Method for Obtaining Monoenergetic Neutron Flux Distributions and Transmissions in Multiple-Region Slabs

    NASA Technical Reports Server (NTRS)

    Schneider, Harold

    1959-01-01

    This method is investigated for semi-infinite multiple-slab configurations of arbitrary width, composition, and source distribution. Isotropic scattering in the laboratory system is assumed. Isotropic scattering implies that the fraction of neutrons scattered in the i(sup th) volume element or subregion that will make their next collision in the j(sup th) volume element or subregion is the same for all collisions. These so-called "transfer probabilities" between subregions are calculated and used to obtain successive-collision densities from which the flux and transmission probabilities directly follow. For a thick slab with little or no absorption, a successive-collisions technique proves impractical because an unreasonably large number of collisions must be followed in order to obtain the flux. Here the appropriate integral equation is converted into a set of linear simultaneous algebraic equations that are solved for the average total flux in each subregion. When ordinary diffusion theory applies with satisfactory precision in a portion of the multiple-slab configuration, the problem is solved by ordinary diffusion theory, but the flux is plotted only in the region of validity. The angular distribution of neutrons entering the remaining portion is determined from the known diffusion flux and the remaining region is solved by higher order theory. Several procedures for applying the numerical method are presented and discussed. To illustrate the calculational procedure, a symmetrical slab ia vacuum is worked by the numerical, Monte Carlo, and P(sub 3) spherical harmonics methods. In addition, an unsymmetrical double-slab problem is solved by the numerical and Monte Carlo methods. The numerical approach proved faster and more accurate in these examples. Adaptation of the method to anisotropic scattering in slabs is indicated, although no example is included in this paper.