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.
Cooperative learning of neutron diffusion and transport theories
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.
An asymptotic homogenized neutron diffusion approximation. I. Theory
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)
How useful is neutron diffusion theory for nuclear rocket engine design
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.
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.
Energy Science and Technology Software Center (ESTSC)
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.
Nodal Diffusion & Transport Theory
Energy Science and Technology Software Center (ESTSC)
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.
3-D Deep Penetration Neutron Imaging of Thick Absorgin and Diffusive Objects Using Transport Theory
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
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.)
Solves the Multigroup Neutron Diffusion Equation
Energy Science and Technology Software Center (ESTSC)
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.
Calculation of the neutron diffusion equation by using Homotopy Perturbation Method
NASA Astrophysics Data System (ADS)
Koklu, H.; Ersoy, A.; Gulecyuz, M. C.; Ozer, O.
2016-03-01
The distribution of the neutrons in a nuclear fuel element in the nuclear reactor core can be calculated by the neutron diffusion theory. It is the basic and the simplest approximation for the neutron flux function in the reactor core. In this study, the neutron flux function is obtained by the Homotopy Perturbation Method (HPM) that is a new and convenient method in recent years. One-group time-independent neutron diffusion equation is examined for the most solved geometrical reactor core of spherical, cubic and cylindrical shapes, in the frame of the HPM. It is observed that the HPM produces excellent results consistent with the existing literature.
Theory of cooling neutron stars versus observations
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.
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.
Asymptotic neutron scattering laws for anomalously diffusing quantum particles.
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
Accuracy of diffusion theory in analyzing moderated regions in FFTF
Nelson, J.V.; Wootan, D.W.; Knutson, B.J.; Harris, R.A. )
1993-01-01
Nuclear analyses supporting the Fast Flux Test Facility (FFTF) design and operation historically have been based on neutron diffusion theory methods. These methods have proven adequate for most routine analyses, including core reload and test design calculations. However, as more complicated tests were proposed, designed, and irradiated, increased reliance was placed on Monte Carlo (MCNP) analyses because of the limitations of diffusion theory. In particular, two hydrogen-moderated test assemblies have been irradiated and new missions for FFTF that would entail loadings with up to 24 moderated assemblies have been proposed. The purpose of the work described in this paper was to assess the accuracy of diffusion theory calculations of hydrogen-moderated target assemblies in FFTF relative to MCNP results. This work will serve as a basis for developing bias factors to improve the reliability of routine diffusion theory calculations.
Multigroup Complex Geometry Neutron Diffusion Code System.
Energy Science and Technology Software Center (ESTSC)
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
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.
A Multimodal Theory of Affect Diffusion.
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
Neutron stars in Einstein-aether theory
Eling, Christopher; Jacobson, Ted; Miller, M. Coleman
2007-08-15
As current and future experiments probe strong gravitational regimes around neutron stars and black holes, it is desirable to have theoretically sound alternatives to general relativity against which to test observations. Here we study the consequences of one such generalization, Einstein-aether theory, for the properties of nonrotating neutron stars. This theory has a parameter range that satisfies all current weak-field tests. We find that within this range it leads to lower maximum neutron star masses, as well as larger surface redshifts at a particular mass, for a given nuclear equation of state. For nonrotating black holes and neutron stars, the innermost stable circular orbit is only slightly modified in this theory.
Generalized diffusion equation and analytical expressions to neutron scattering experiments
NASA Astrophysics Data System (ADS)
Fa, Kwok Sau
2014-12-01
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. Analytical expressions related to neutron scattering experiments are presented and analyzed, which can be used to describe, for instance, biological systems.
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.
Nonlinear Cosmic Ray Diffusion Theories
NASA Astrophysics Data System (ADS)
Shalchi, Andreas
Within cosmic ray transport theory, we investigate the interaction between energetic charged particles like electrons, protons, or heavy ions and astrophysical plasmas such as the solar wind or the interstellar medium. These particles interact with a background magnetic field B 0 and with turbulent electric and magnetic fields ýE and ýB, and they therefore experience scattering parallel and perpendicular to B 0. In this introductory chapter, general properties of cosmic rays are discussed, as well as the unperturbed motion of the particles. Furthermore, the physics of parallel and perpendicular scattering is investigated. At the end of this chapter, we consider observed mean free paths of cosmic rays in the heliosphere and in the interstel- lar medium. One aim of this book is to demonstrate that a nonlinear description of particle transport is necessary to reproduce these measurements.
Neutron diffusion in graphite poisoned with 1/v and non-1/v absorbers
Malik, U.; Kothari, L.S.; Kumar, A.
1982-05-01
Neutron diffusion in graphite containing 1/v and non-1/v absorbers has been studied in the diffusion theory approximation using a multigroup (30-group) approach and the neutron scattering kernel proposed earlier by the authors. It is observed that, in this case as in the case of water investigated earlier, the behavior of neutrons in graphite poisoned with gadolinium is different from that in graphite poisoned with samarium or cadmium. To explain the reason for this difference, a hypothetical model for the energy variation of the absorption cross section has been constructed that closely resembles samarium in one limit and goes over to gadolinium in the other. The effect of varying the concentration of non-1/v absorbers on the flux of sub-Bragg and epicold neutrons has been studied for this model, and some interesting results are obtained.
Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system
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)
An asymptotic homogenized neutron diffusion approximation. II. Numerical comparisons
Trahan, T. J.; Larsen, E. W.
2012-07-01
In a companion paper, a monoenergetic, homogenized, anisotropic diffusion equation is derived asymptotically for large, 3-D, multiplying systems with a periodic lattice structure [1]. In the present paper, this approximation is briefly compared to several other well known diffusion approximations. Although the derivation is different, the asymptotic diffusion approximation matches that proposed by Deniz and Gelbard, and is closely related to those proposed by Benoist. The focus of this paper, however, is a numerical comparison of the various methods for simple reactor analysis problems in 1-D. The comparisons show that the asymptotic diffusion approximation provides a more accurate estimate of the eigenvalue than the Benoist diffusion approximations. However, the Benoist diffusion approximations and the asymptotic diffusion approximation provide very similar estimates of the neutron flux. The asymptotic method and the Benoist methods both outperform the standard homogenized diffusion approximation, with flux weighted cross sections. (authors)
Neutron Interference Experiments and Quantum Measurement Theory
NASA Astrophysics Data System (ADS)
Namiko, M.; Otake, Y.; Soshi, H.
1987-03-01
Physical and epistemological implications of recent experiments on the neutron interference are discussed from the viewpoint of the Machida-Namiki theory of measurement in quantum mechanics, without resort to discussion on the number-phase uncertainty relation. The same idea is also applied to the neutrino oscillation problem.
THE CONFIGURATIONAL THEORY OF INNOVATION DIFFUSION.
ERIC Educational Resources Information Center
BHOLA, HARBANS SINGH
A THEORY OF INNOVATION DIFFUSION FOCUSED UPON SOCIAL INTERRELATIONSHIPS IS PRESENTED. INTERACTION OF VARYING KINDS AND SIZES OF SOCIAL UNITS RELATES INDIVIDUALS TO OTHER INDIVIDUALS, GROUPS, INSTITUTIONS, OR CULTURES. INNOVATION MAY BE INITIATED BY ANY OF THESE FOUR SOCIAL UNITS AND MAY BE DIRECTED TOWARD SUBSEQUENT ADOPTION BY ANY OF THE UNITS.…
Diffusion in the special theory of relativity.
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
The AN neutron transport by nodal diffusion
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)
Theory of fractional-ordered thermoelastic diffusion
NASA Astrophysics Data System (ADS)
Shaw, Soumen; Mukhopadhyay, Basudeb
2016-06-01
In this note, the traditional theory of thermoelastic diffusion is replaced by fractional ordered thermoelasticity based on fractional conservation of mass, fractional Taylor series and fractional divergence theorem. We replace the integer-order Taylor series approximation for flux with the fractional-order Taylor series approximation which can remove the restriction that the flux has to be linear, or piece-wise linear and the restriction that the control volume must be infinitesimal. There are two important distinctions between the traditional thermoelastic diffusion, and its fractional equivalent. The first is that the divergence term in the heat conduction and mass diffusion equations are the fractional divergence, and the second is the appearance of strain tensor term in the fractional equation is in the form of "incomplete fractional-strain measures".
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.
Tests of alternative quantum theories with neutrons
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.
Albertson, B J; Blue, T E; Niemkiewicz, J
2001-09-01
This paper outlines a method for determining proper removal-diffusion parameters to be used in removal-diffusion theory calculations for the purpose of BNCT treatment planning. Additionally, this paper demonstrates that, given the proper choice of removal-diffusion parameters, removal-diffusion theory may provide an accurate calculation technique for determining absorbed dose distributions for the purpose of BNCT treatment planning. For a four-group, one-dimensional calculation in water, this method was used to determine values for the neutron scattering cross sections, neutron removal cross sections, neutron diffusion coefficients, and extrapolation distances. These values were then used in a one-dimensional DIF3D calculation. The results of the DIF3D calculation showed a maximum deviation of 2.5% from a MCNP calculation performed for the same geometry. PMID:11585220
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.
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.
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.
Kinetic theory of diffusion-limited nucleation.
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
Water diffusion profile measurements in epoxy using neutron radiography
NASA Astrophysics Data System (ADS)
Lindsay, John T.; Matsubayashi, Masahito; Nurul Islam, Md.
1994-12-01
The diffusion characteristics of water in polymer materials have been studied for a few decades. Several methods have been developed to provide water diffusion characteristics as a function of time, temperature, pressure, or thickness of polymer. Unfortunately, most of these methods give the amount of water absorbed as a function of weight versus time at given environmental conditions. Concentration profiles of the water diffusion through the polymer have been unobtainable by these established methods. Neutron radiography is a method of non-destructive testing that has grown rapidly over the past ten years and is capable of giving these concentration profiles. Epoxy is one of the most commonly used polymers for which water diffusion information is important. In the automotive industry, epoxy is used both as a sealant and a bonder to prevent water from getting inside structures and causing corrosion. To prevent this corrosion, it is important to know the diffusion behavior of water in the epoxy adhesive.p ]This paper will demonstrate the use of high resolution neutron radiography as a viable method for the determination of the diffusion profile of water in commercially available epoxies. Aluminum coupons were constructed and joined together using four different epoxies. These coupons were then submerged in water. Neutron radiographs were made of the coupons as a function of total time submerged and water temperature. The weights of the coupons were also obtained as a function of submerged time for comparison with other methods. Four different epoxies were tested. Profiles of the water concentration are easily observed and measured.
Geometric Correction for Diffusive Expansion of Steady Neutron Transport Equation
NASA Astrophysics Data System (ADS)
Wu, Lei; Guo, Yan
2015-06-01
We revisit the diffusive limit of a steady neutron transport equation in a two-dimensional unit disk with one-speed velocity. A classical theorem by Bensoussan et al. (Publ Res Inst Math Sci 15(1):53-157, 1979) states that its solution can be approximated in L ∞ by the leading order interior solution plus the Knudsen layer in the diffusive limit. In this paper, we construct a counterexample to this result via a different boundary layer expansion with geometric correction.
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.
NASA Astrophysics Data System (ADS)
Imel, Adam; Miller, Brad; Holley, Wade; Baskaran, Durairaj; Mays, Jimmy; Dadmun, Mark
2015-03-01
The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and depend intimately on the dispersion of the nanoparticles. We examine the diffusion of soft, organic nanoparticles, which disperse in a polymer matrix due to the interpenetration of polymer chains and particles and the reduction in the depletion of entropy in the system. The impact of the presence of soft nanoparticles on the diffusion coefficient of polystyrene chains has recently been determined with neutron reflectivity. This was completed by monitoring the interdiffusion of deuterated and protonated polystyrene nanocomposite bilayers with and without the soft nanoparticles dispersed throughout both layers and extracting the diffusion coefficient from the one-dimensional solution to Fick's second law of diffusion. In this work, we extend this method to bilayer systems with only the soft nanoparticles as one of the layers and a linear deuterated polystyrene as an adjacent layer. The development of this method allows us to determine the tracer diffusion coefficient of the soft polystyrene nanoparticles for the first time by analyzing the mutual diffusion coefficient from Fick's second law and the fast and slow modes theories for diffusion.
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.
Dynamic Simulation of Backward Diffusion Based on Random Walk Theory
NASA Astrophysics Data System (ADS)
Dung, Vu Ba; Nguyen, Bui Huu
2016-06-01
Results of diffusion study in silicon showed that diffusion of the selfinterstitial and vacancy could be backward diffusion and their diffusivity could be negative [1]. The backward diffusion process and negative diffusivity is contrary to the fundamental laws of diffusion such as the law of Fick law, namely the diffusive flux of backward diffusion goes from regions of low concentration to regions of high concentration. The backward diffusion process have been explained [2]. In this paper, the backward diffusion process is simulated. Results is corresponding to theory and show that when thermal velocity of the low concentration area is greater than thermal velocity of the high concentration area, the backward diffusion can be occurred.
Theoretical study of diffusion processes around a non-rotating neutron star
NASA Astrophysics Data System (ADS)
Andra, D.; Rosyid, M. F.
2014-10-01
The general relativistic diffusion process on curved space-time manifold around a non-rotating neutron star has been analyzed. The general relativistic diffusion equation of diffusive particles around non-rotating neutron star is derived by constructing phase space in the parametrization of observer time in the hyperbolic coordinate system. This diffusion equation describes the stochastic dynamic of particles around non-rotating neutron stars. In this work we also have studied the diffusion processes around a non-rotating neutron star for asymptotic case.
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.
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,…
A Numerical Model for Coupling of Neutron Diffusion and Thermomechanics in Fast Burst Reactors
Samet Y. Kadioglu; Dana A. Knoll; Cassiano De Oliveira
2008-11-01
We develop a numerical model for coupling of neutron diffusion adn termomechanics in order to stimulate transient behavior of a fast burst reactor. The problem involves solving a set of non-linear different equations which approximate neutron diffusion, temperature change, and material behavior. With this equation set we will model the transition from a supercritical to subcritical state and possible mechanical vibration.
Multidimensional reaction rate theory with anisotropic diffusion
NASA Astrophysics Data System (ADS)
Berezhkovskii, Alexander M.; Szabo, Attila; Greives, Nicholas; Zhou, Huan-Xiang
2014-11-01
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.
Neutron-star matter within the energy-density functional theory and neutron-star structure
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.
NASA Astrophysics Data System (ADS)
Titarchuk, Lev; Shaposhnikov, Nikolai; Arefiev, Vadim
2007-06-01
We present a model of Fourier Power Density Spectrum (PDS) formation in accretion powered X-ray binary systems derived from the first principles of the diffusion theory. Timing properties of X-ray emission are considered to be a result of diffusive propagation of the driving perturbations in a bounded medium. We prove that the integrated power of the resulting PDS, Px is only a small fraction of the integrated power of the driving oscillations, Pdr which is distributed over the disk. Furthermore, we demonstrate that the power Px is inversely proportional to the characteristic frequency of the driving oscillations vdr which is likely scaled with the frequency of the local gravity waves in the disk (Keplerian frequency). Keeping in mind that vdr increases towards soft states leads us to conclude that the power Px declines towards soft states. This dependence Px ~ vdr-1 explains the well-known observational phenomenon that the power of the X-ray variability decreases when the source evolves to softer states. The resulting PDS continuum is a sum of two components, a low frequency (LF) component which presumably originates in an extended accretion disk and a high frequency (HF) component which originates in the innermost part of the source [Compton cloud (CC)]. The LF PDS component has a power-law shape with index of 1.0 - 1.5 at higher frequencies (``red'' noise) and a flat spectrum below a characteristic (break) frequency (``white'' noise). This white-red noise (WRN) continuum spectrum holds information about the physical parameters of the bounded extended medium, diffusion time scale and the dependence law of viscosity vs radius. This LF PDS associated with the extended disk dominates in the soft states of the system, while the HF PDS characteristic of innermost CC component is dominant in the low/hard and intermediate states. These PDS LF and HF components directly correspond to the energy spectrum components. Namely: LF WRN is related to thermal emission from an
NASA Astrophysics Data System (ADS)
Titarchuk, Lev; Shaposhnikov, Nikolai; Arefiev, Vadim
2008-09-01
We present a model of Fourier Power Density Spectrum (PDS) formation in accretion powered X-ray binary systems derived from the first principles of the diffusion theory. Timing properties of X-ray emission are considered to be a result of diffusive propagation of the driving perturbations in a bounded medium. We prove that the integrated power of the resulting PDS, Px is only a small fraction of the integrated power of the driving oscillations, Pdr which is distributed over the disk. Furthermore, we demonstrate that the power Px is inversely proportional to the characteristic frequency of the driving oscillations νdr which is likely scaled with the frequency of the local gravity waves in the disk (Keplerian frequency). Keeping in mind that νdr increases towards soft states leads us to conclude that the power Px declines towards soft states. This dependence Px ∝ ν dr-1 explains the well-known observational phenomenon that the power of the X-ray variability decreases when the source evolves to softer states. The resulting PDS continuum is a sum of two components, a low frequency (LF) component which presumably originates in an extended accretion disk and a high frequency (HF) component which originates in the innermost part of the source [Compton cloud (CC)]. The LF PDS component has a power-law shape with index of 1.0 - 1.5 at higher frequencies ("red" noise) and a flat spectrum below a characteristic (break) frequency ("white" noise). This white-red noise (WRN) continuum spectrum holds information about the physical parameters of the bounded extended medium, diffusion time scale and the dependence law of viscosity vs radius. This LF PDS associated with the extended disk dominates in the soft states of the system, while the HF PDS characteristic of innermost CC component is dominant in the low/hard and intermediate states. These PDS LF and HF components directly correspond to the energy spectrum components. Namely: LF WRN is related to thermal emission from an
Applying Diffusion of Innovation Theory to Intervention Development.
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. PMID:20976022
Applying Diffusion of Innovation Theory to Intervention Development
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
Hydrodynamic theory of diffusion in two-temperature multicomponent plasmas
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.
Universal Charge Diffusion and the Butterfly Effect in Holographic Theories.
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
Iso-geometric analysis for neutron diffusion problems
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)
Converged accelerated finite difference scheme for the multigroup neutron diffusion equation
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)
Finite gyroradius corrections in the theory of perpendicular diffusion 2. Strong velocity diffusion
NASA Astrophysics Data System (ADS)
Shalchi, A.
2016-01-01
The current paper is a sequel to an article where we have started to incorporate finite gyroradius effects in the theory of perpendicular diffusion of energetic particles interacting with turbulent magnetic fields. In the previous paper we have focused on the case that velocity diffusion is suppressed and we derived corrections to the perpendicular diffusion coefficient. In the current article we focus on the limit of strong non-linear velocity diffusion. If finite gyroradius effects are not present, we derive the well-known limit where the perpendicular diffusion coefficient is directly proportional to the parallel diffusion coefficient. As in the previous paper, we employ different turbulence models as examples, namely the slab model, noisy slab turbulence, and the two-dimensional model. We show that finite gyroradius effects reduce the perpendicular mean free path in all considered cases except for the slab model where such effects do not occur.
Field theory of propagating reaction-diffusion fronts
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.
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.
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
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.
Revisiting blob theory for DNA diffusivity in slitlike confinement
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
Revisiting Blob Theory for DNA Diffusivity in Slitlike Confinement
NASA Astrophysics Data System (ADS)
Dai, Liang; Tree, Douglas R.; van der Maarel, Johan R. C.; Dorfman, Kevin D.; Doyle, Patrick S.
2013-04-01
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.
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.
Diffusive Nuclear Burning of Helium on Neutron Stars
NASA Astrophysics Data System (ADS)
Chang, Philip; Bildsten, Lars; Arras, Phil
2010-11-01
Diffusive nuclear burning (DNB) of H by an underlying material capable of capturing protons can readily consume H from the surface of neutron stars (NSs) during their early cooling history. In the absence of subsequent accretion, it will be depleted from the photosphere. We now extend DNB to He, motivated by the recent observation by Ho & Heinke of a carbon atmosphere on the NS in the Cassiopeia A supernova remnant. We calculate the equilibrium structure of He on an underlying α capturing material, accounting for thermal, mass defect, and Coulomb corrections on the stratification of material with the same zeroth order μ e = A/Z. We show that Coulomb corrections dominate over thermal and mass defect corrections in the highly degenerate part of the envelope. We also show that the bulk of the He sits deep in the envelope rather than near the surface. Thus, even if the photospheric He abundance is low, the total He column could be substantially larger than the photospheric column, which may have implications for rapid surface evolution (≈1 yr timescales) of NSs. When nuclear reactions are taken into account, we find that for base temperatures gsim1.6 × 108 K, He is readily captured onto C. As these high temperatures are present during the early stages of NS evolution, we expect that the primordial He is completely depleted from the NS surface like the case for primordial H. We also find that magnetic fields lsim1012 G do not affect our conclusions. Armed with the results of this work and our prior efforts, we expect that primordial H and He are depleted, and so any observed H or He on the surfaces of these NS must be due to subsequent accretion (with or without spallation). If this subsequent accretion can be prevented, the underlying mid-Z material would be exposed.
Using diffusion theory in health promotion: the case of tobacco.
Ferrence, R
1996-01-01
Diffusion theory can profitably be applied to a range of health problems and interventions. This paper uses the case of tobacco to illustrate this process. The diffusion of innovations model refers to the spread of new ideas, techniques and behaviours or products throughout populations. Those who adopt at different phases of the process tend to differ in predictable ways, such as age, sex, residence, socioeconomic status and level of access to communications, each of which can be employed to affect the overall rate of adoption. A series of perspectives are employed to examine aspects of the diffusion process for tobacco use. Examples from the tobacco areas are used to illustrate ways in which the diffusion model can be applied in the field. Applications of the model for prevention are presented and discussed. PMID:9002339
First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe
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.
First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe
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
Evaluation of diffuse neutron scattering at elevated temperatures and local decomposition in Ni-Au
NASA Astrophysics Data System (ADS)
Portmann, M. J.; Schönfeld, B.; Kostorz, G.; Altorfer, F.; Kohlbrecher, J.
2003-07-01
It is demonstrated that in the diffuse neutron scattering of alloys at elevated temperatures (i) the temperature dependence of the linear absorption coefficient is the reason for problems encountered hitherto in the evaluation of diffuse wide-angle scattering and (ii) small-angle neutron scattering has to be corrected for thermal diffuse scattering. These corrections are applied to published data of Ni-8.4 at. % Au and Ni-9.6 at. % Ti and are used to firmly establish that local decomposition is also present in Au-rich Ni-Au above the miscibility gap.
Models of geochemical systems from mixture theory: diffusion
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.
Testing general metric theories of gravity with bursting neutron stars
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.
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.
Understanding diffusion theory and Fick's law through food and cooking.
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). PMID:26330037
Radiative Neutron β-Decay in Effective Field Theory
Gardner, Susan; Bernard, Véronique; Meißner, Ulf-G.; Zhang, Chi
2005-01-01
We consider radiative β-decay of the neutron in heavy baryon chiral perturbation theory. Nucleon-structure effects not encoded in the weak coupling constants gA and gV are determined at next-to-leading order in the chiral expansion, and enter at the O(0.5%)-level, making a sensitive test of the Dirac structure of the weak currents possible. PMID:27308159
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.
Describing function theory as applied to thermal and neutronic problems
Nassersharif, B.
1983-01-01
Describing functions have traditionally been used to obtain the solutions of systems of ordinary differential equations. In this work the describing function concept has been extended to include nonlinear, distributed parameter partial differential equations. A three-stage solution algorithm is presented which can be applied to any nonlinear partial differential equation. Two generalized integral transforms were developed as the T-transform for the time domain and the B-transform for the spatial domain. The thermal diffusion describing function (TDDF) is developed for conduction of heat in solids and a general iterative solution along with convergence criteria is presented. The proposed solution method is used to solve the problem of heat transfer in nuclear fuel rods with annular fuel pellets. As a special instance the solid cylindrical fuel pellet is examined. A computer program is written which uses the describing function concept for computing fuel pin temperatures in the radial direction during reactor transients. The second problem investigated was the neutron diffusion equation which is intrinsically different from the first case. Although, for most situations, it can be treated as a linear differential equation, the describing function method is still applicable. A describing function solution is derived for two possible cases: constant diffusion coefficient and variable diffusion coefficient. Two classes of describing functions are defined for each case which portray the leakage and absorption phenomena. For the specific case of a slab reactor criticality problem the comparison between analytical and describing function solutions revealed an excellent agreement.
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.
Neutron diffusion in a randomly inhomogeneous multiplying medium with random phase approximation
Imre, Kaya; Akcasu, A. Ziya
2012-06-15
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.
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.
Extreme neutron stars from Extended Theories of Gravity
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.
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.
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
Un-oriented quiver theories for Majorana neutrons
NASA Astrophysics Data System (ADS)
Addazi, Andrea; Bianchi, Massimo
2015-07-01
In the context of un-oriented open string theories, we identify quivers whereby a Majorana mass for the neutron is indirectly generated by exotic instantons. We discuss two classes of (Susy) Standard Model like quivers, depending on the embedding of SU(2) W in the Chan-Paton group. In both cases, the main mechanism involves a vector-like pair mixing through a non-perturbative mass term. We also discuss possible relations between the phenomenology of Neutron-Antineutron oscillations and LHC physics in these models. In particular, a vector-like pair of color-triplet scalars or color-triplet fermions could be directly detected at LHC, compatibly with limits. Finally we briefly comment on Pati-Salam extensions of our models.
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.
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.
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.
Quantum diffusion of ultra-cold neutrons in a rough waveguide in a gravity field
NASA Astrophysics Data System (ADS)
Escobar, Mauricio
We report the results of our study of propagation of gravitationally quantized ultracold neutrons in rough waveguides in conjunction with GRANIT experiments (ILL, Grenoble). Our theoretical study is done within the frame of the general theory of transport in systems with random rough boundaries developed by Meyerovich et al. We present a theoretical description of GRANIT experiments in the biased diffusion approximation for waveguides with one- and two-dimensional (1Dd and 2D) roughness. All system parameters collapse into a single constant (phi) which determines the depletion times for the gravitational quantum states and the exit neutron count. phi is determined by a complicated integral of the correlation function (CF) of surface roughness. For waveguides with 1D roughness most of the calculations can be performed analytically for the main common types of CF. For waveguides with 2D roughness the final calculations are mostly numerical. We also developed useful scaling equations for phi which can allow experimentalists to accommodate our results to different experimental setups. The reliable identification of the CF is always hindered by the presence of long fluctuation-driven correlation tails in finite-size samples. In order to deal with this issue, we perform numerical experiments relevant for the identification of the roughness CF. We generate surfaces with predetermined CF using rotation of uncorrelated surfaces or using Monte Carlo simulations based on the Ising model. These numerical experiments show how to circumvent the difficulties that arise in extracting the correlation properties of surface roughness using the data on the surface profile obtained in STM-like experiments. This experience helps us to analyze the new rough mirror and make theoretical predictions for ongoing GRANIT experiments. We also propose an alternative waveguide design which can improve the accuracy of experimental results.
Heuser, Brent J; Trinkle, Dallas R; Jalarvo, Niina; Serio, Joseph; Schiavone, Emily J; Mamontov, Eugene; Tyagi, Madhusudan
2014-07-11
The temperature-dependent diffusivity D(T) of hydrogen solute atoms trapped at dislocations-dislocation pipe diffusion of hydrogen-in deformed polycrystalline PdH(x) (x∼10(-3) [H]/[Pd]) has been quantified with quasielastic neutron scattering between 150 and 400 K. We observe diffusion coefficients for trapped hydrogen elevated by one to two orders of magnitude above bulk diffusion. Arrhenius diffusion behavior has been observed for dislocation pipe diffusion and regular bulk diffusion, the latter in well-annealed polycrystalline Pd. For regular bulk diffusion of hydrogen in Pd we find D(T)=D(0)exp(-E(a)/kT)=0.005exp(-0.23 eV/kT) cm(2)/s, in agreement with the known diffusivity of hydrogen in Pd. For hydrogen dislocation pipe diffusion we find D(T)≃10(-5)exp(-E(a)/kT) cm(2)/s, where E(a)=0.042 and 0.083 eV for concentrations of 0.52×10(-3) and 1.13×10(-3)[H]/[Pd], respectively. Ab initio computations provide a physical basis for the pipe diffusion pathway and confirm the reduced barrier height. PMID:25062206
Lambda modes of the neutron diffusion equation in hexagonal geometry
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)
General Cavity Theories for Photon and Neutron Dosimetry.
NASA Astrophysics Data System (ADS)
Kearsley, Eric Edward
1982-03-01
The aim of a general cavity theory is to predict the energy deposition from a source of ionizing radiation in a cavity of arbitrary size and composition. This thesis proposes two new general cavity theories. The first is intended for cavities in photon fields. The second is for spherical cavities in fast neutron fields. Both models can be written in the familiar form of the Burlin cavity theory. The proposed photon model takes into account the effect of secondary electron scattering at the cavity boundaries. The model can be used to calculate the average cavity dose, the dose distribution inside the cavity, as well as the relative contributions of the wall and the cavity to the cavity response. A comparison is made between the proposed model, the well known Burlin model, and experimental data. The second model discussed is a calculation of the response of a sphere of arbitrary size in a fast neutron field. The dose deposited in the cavity is calculated taking into account the energy dependence of the stopping power, the secondary starting energy distribution, and the cavity volume. An analytical solution is derived. From this a simple three parameter power function is fitted which accurately predicts cavity doses to within 0.1% of the values predicted by the analytical model. Results of the calculation are given in a table for TE/TE, TE/air, and C/CO2 wall-gas combinations for neutron energies between 0.76 Mev and 14 Mev and cavity sizes between 0.01 cm('3) and 10 cm('3). These results are compared with a more detailed calculation. There is good agreement between the two methods under 5 MeV in all cases and up to 14 MeV in the hydrogenous cases. That is, the model works well when elastic scattering interactions dominate the cavity response.
Multigroup 3-Dimensional Neutron Diffusion Nodal Code System with Thermohydraulic Feedbacks.
Energy Science and Technology Software Center (ESTSC)
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.
Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement
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.
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.
VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system. Version 3
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.
VENTURE/PC manual: A multidimensional multigroup neutron diffusion code system
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.
User's manual for GILDA: An infinite lattice diffusion theory calculation
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.
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
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.
Theory of diffusion-influenced reactions in complex geometries.
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
Theory of exciton transfer and diffusion in conjugated polymers
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
Comparison of neutron diffusion and Monte Carlo models for a fission wave
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)
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
Axial expansion methods for solution of the multi-dimensional neutron diffusion equation
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.
Estimation of Force Constants of Al from Diffuse Neutron Scattering Measurement
NASA Astrophysics Data System (ADS)
Makhsun; Hashimoto, Takuya; Sakuma, Takashi; Takahashi, Haruyuki; Kamishima, Osamu; Igawa, Naoki; Danilkin, Sergey A.
2014-07-01
Neutron diffraction measurement of an aluminum powder sample at 290 K was carried out at the high resolution powder diffractometer installed at JRR-3. Broad oscillations of the diffuse scattering intensity were observed and explained by the correlation effects among the thermal displacements of atoms. The interatomic force constants were determined from the correlation effects using a newly introduced equation. The derived force constants and the crystal structure of Al were used to estimate the phonon dispersion relations, phonon density of states, and specific heat by computer simulation. The calculated phonon dispersion relations and specific heat of Al are similar to those obtained from inelastic neutron scattering and specific heat measurements, respectively.
GPU-accelerated 3D neutron diffusion code based on finite difference method
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)
Neutron Diffuse Scattering in Pure and Ba-Doped Single Crystals of the Relaxor NBT
NASA Astrophysics Data System (ADS)
Ge, Wenwei; Devreugd, Christopher; Phelan, Daniel; Gehring, Peter; Zhang, Qinhui; Ahart, Muhtar; Li, Jiefang; Luo, Haosu; Viehland, Dwight
2013-03-01
We report neutron diffuse scattering measurements on the lead-free relaxors Na1/2Bi1/2TiO3 (NBT) and NBT doped with 5.6% BaTiO3, a composition that is located close to the morphotropic phase boundary. The diffuse scattering in NBT appears on cooling near 700 K, which coincides with the temperature at which the dielectric constant deviates from Curie-Weiss behavior. Strong, anisotropic diffuse scattering intensity is observed near the (100), (110), (200), (220), and (210) Bragg peaks. The reciprocal space distribution of the diffuse scattering is consistent with the presence of competing rhombohedral and tetragonal short-range structural correlations. Doping NBT with 5.6% BaTiO3 reduces the correlation length associated with the tetragonal order by a factor of 10 while simultaneously enhancing the piezoelectric properties. This research was supported by NSF Grant DMR-0806592.
Br diffusion in molten NaBr explored by coherent quasielastic neutron scattering
NASA Astrophysics Data System (ADS)
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.
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.
Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering
Specht, Eliot D; Ma, Jie; Delaire, Olivier A; Budai, John D; May, Andrew F; Karapetrova, Evguenia A.
2015-01-01
Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.
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.
Fractional Diffusion Equation, Quantum Subdynamics and EINSTEIN'S Theory of Brownian Motion
NASA Astrophysics Data System (ADS)
Abe, Sumiyoshi
The fractional diffusion equation for describing the anomalous diffusion phenomenon is derived in the spirit of Einstein's 1905 theory of Brownian motion. It is shown how naturally fractional calculus appears in the theory. Then, Einstein's theory is examined in view of quantum theory. An isolated quantum system composed of the objective system and the environment is considered, and then subdynamics of the objective system is formulated. The resulting quantum master equation is found to be of the Lindblad type.
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.
Trantham, E C; Rorschach, H E; Clegg, J S; Hazlewood, C F; Nicklow, R M; Wakabayashi, N
1984-01-01
Results have been obtained on the quasi-elastic spectra of neutrons scattered from pure water, a 20% agarose gel (hydration four grams H2O per gram of dry solid) and cysts of the brine shrimp Artemia for hydrations between 0.10 and 1.2 grams H2O 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 (Q2) 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 [u2] as determined from the Q-dependence of the line areas were also obtained. PMID:6733243
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)
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…
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
O'Malley, Alexander J; García Sakai, Victoria; Silverwood, Ian P; Dimitratos, Nikolaos; Parker, Stewart F; Catlow, C Richard A
2016-06-29
The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300-400 K. The experimental diffusion coefficients were measured in the range 2-5 × 10(-10) m(2) s(-1) and simulated diffusion coefficients calculated in the range of 1.6-3.2 × 10(-9) m(2) s(-1). Activation energies were measured as 8.8 and 6.9 kJ mol(-1) using QENS and MD respectively. Differences may be attributed predominantly to the experimental use of a dealuminated HY sample, containing significant defects such as strongly adsorbing silanol nests, compared to a perfect simulated crystal containing only evenly distributed Brønsted acid sites. Experimental and simulated diffusivities measured in this study are lower than those obtained from those previously calculated in siliceous faujasite, due to methanol H-bonding to Brønsted acid sites as observed in the MD simulations. However, both experimental and simulated diffusivities were significantly higher than those obtained in NaX, due to the higher concentration of extraframework cations present in the previously studied structures. PMID:27249167
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.
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.
Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation
NASA Astrophysics Data System (ADS)
Jamelot, Erell; Ciarlet, Patrick
2013-05-01
Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart-Thomas-Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code. APOLLO3 is a registered trademark in France.
Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation
Jamelot, Erell; Ciarlet, Patrick
2013-05-15
Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart–Thomas–Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code.
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…
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.
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.
Proton and neutron skins of light nuclei within the relativistic mean field theory
NASA Astrophysics Data System (ADS)
Geng, L. S.; Toki, H.; Ozawa, A.; Meng, J.
2004-01-01
The relativistic mean field (RMF) theory is applied to the analysis of ground-state properties of Ne, Na, Cl and Ar isotopes. In particular, we study the recently established proton skin in Ar isotopes and neutron skin in Na isotopes as a function of the difference between the proton and the neutron separation energy. We use the TMA effective interaction in the RMF Lagrangian, and describe pairing correlation by the density-independent delta-function interaction. We calculate single neutron and proton separation energies, quadrupole deformations, nuclear matter radii and differences between proton radii and neutron radii, and compare these results with the recent experimental data.
Diffusing proteins on a fluctuating membrane: Analytical theory and simulations
NASA Astrophysics Data System (ADS)
Reister-Gottfried, Ellen; Leitenberger, Stefan M.; Seifert, Udo
2010-03-01
Using analytical calculations and computer simulations, we consider both the lateral diffusion of a membrane protein and the fluctuation spectrum of the membrane in which the protein is embedded. The membrane protein interacts with the membrane shape through its spontaneous curvature and bending rigidity. The lateral motion of the protein may be viewed as diffusion in an effective potential, hence, the effective mobility is always reduced compared to the case of free diffusion. Using a rigorous path-integral approach, we derive an analytical expression for the effective diffusion coefficient for small ratios of temperature and bending rigidity, which is the biologically relevant limit. Simulations show very good quantitative agreement with our analytical result. The analysis of the correlation functions contributing to the diffusion coefficient shows that the correlations between the stochastic force of the protein and the response in the membrane shape are responsible for the reduction. Our quantitative analysis of the membrane height correlation spectrum shows an influence of the protein-membrane interaction causing a distinctly altered wave-vector dependence compared to a free membrane. Furthermore, the time correlations exhibit the two relevant time scales of the system: that of membrane fluctuations and that of lateral protein diffusion with the latter typically much longer than the former. We argue that the analysis of the long-time decay of membrane height correlations can thus provide a new means to determine the effective diffusion coefficient of proteins in the membrane.
Fluid Registration of Diffusion Tensor Images Using Information Theory
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
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.
Rapidly rotating neutron stars in dilatonic Einstein-Gauss-Bonnet theory
NASA Astrophysics Data System (ADS)
Kleihaus, Burkhard; Kunz, Jutta; Mojica, Sindy; Zagermann, Marco
2016-03-01
We construct sequences of rapidly rotating neutron stars in dilatonic Einstein-Gauss-Bonnet theory, employing two equations of state for the nuclear matter. We analyze the dependence of the physical properties of these neutron stars on the Gauss-Bonnet coupling strength. For a given equation of state we determine the physically relevant domain of rapidly rotating neutron stars, which is delimited by the set of neutron stars rotating at the Kepler limit, the set of neutron stars along the secular instability line, and the set of static neutron stars. As compared to Einstein gravity, the presence of the Gauss-Bonnet term decreases this domain, leading to lower values for the maximum mass as well as to smaller central densities. The quadrupole moment is decreased by the Gauss-Bonnet term for rapidly rotating neutron stars, while it is increased for slowly rotating neutron stars. The universal relation between the quadrupole moment and the moment of inertia found in general relativity appears to extend to dilatonic Einstein-Gauss-Bonnet theory with very little dependence on the coupling strength of the Gauss-Bonnet term. The neutron stars carry a small dilaton charge.
Methanol Diffusion into Thin Ionomer Films: An in situ Study Using Neutron Reflectometry .
NASA Astrophysics Data System (ADS)
He, Lilin
2008-03-01
THUSITHA, N. ETAMPAWALA DVORA, PERAHIA ^ Department of Chemistry, Clemson University, Clemson, SC 29634 JAROSLAW MAJEWSKI, Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos, NM 87545 CHRISTOPHER J. CORNELIUS^ Sandia National Laboratories, MS 0886, Albuquerque, New Mexico 87185-0886 The penetration of solvent into a polymer that consists of incompatable groups is determined by the specific interactions with the guest molecule, where interfacial structure and dynamics of the polymer affect the onset of the process. The current work presents a neutron reflectometry study of the penetration of methanol into sulfonated polyphenlylene thin films. The ionomer films were exposed to saturated deuterated methanol vapor and reflectometry patterns were recorded until equilibrium was reached. The process incorporates two stages where the vapors first wet the surface and then penetrate into the film. Significant swelling takes place as soon as the film is exposed to the vapors. Similar to previous studied in water, the onset diffusion is Fickian followed by an anomalous diffusion process. The entire process however is faster than that observed for water.
Predicting neutron diffusion eigenvalues with a query-based adaptive neural architecture.
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. PMID:18252578
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.
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.
Application of Diffusion of Innovations Theory to the TIPs Evaluation Project Results and Beyond.
ERIC Educational Resources Information Center
Hubbard, Susan M.; Huang, Judy Y.; Mulvey, Kevin P.
2003-01-01
Summarizes the results from four major studies under the Treatment Improvement Protocols (TIPs) evaluation project and uses the diffusion of innovations theory as a theoretical framework to understand substance abuse treatment providers awareness, attitudes, and practices regarding TIPs. (SLD)
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)
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…
Theory of classical diffusion jumps in solids. II. Isotope effect and first-order anharmonic terms
NASA Astrophysics Data System (ADS)
Jacucci, G.; de Lorenzi, G.; Marchese, M.; Flynn, C. P.; Toller, M.
1987-08-01
Diffusion in solids, including the isotope effect, is discussed within the short-memory augmented-rate theory recently introduced by Toller, Jacucci, De Lorenzi, and Flynn. Terms in the jump rate for an anharmonic expansion of the barrier potential are presented complete to first order in β-1 and evaluated for vacancy diffusion in models of Ar, Ag, and Cu.
Reliability theory for diffusion processes on interconnected networks
NASA Astrophysics Data System (ADS)
Khorramzadeh, Yasamin; Youssef, Mina; Eubank, Stephen
2014-03-01
We present the concept of network reliability as a framework to study diffusion dynamics in interdependent networks. We illustrate how different outcomes of diffusion processes, such as cascading failure, can be studied by estimating the reliability polynomial under different reliability rules. As an example, we investigate the effect of structural properties on diffusion dynamics for a few different topologies of two coupled networks. We evaluate the effect of varying the probability of failure propagating along the edges, both within a single network as well as between the networks. We exhibit the sensitivity of interdependent network reliability and connectivity to edge failures in each topology. Network Dynamics and Simulation Science Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia 24061, USA.
Diffusion theory of decision making in continuous report.
Smith, Philip L
2016-07-01
I present a diffusion model for decision making in continuous report tasks, in which a continuous, circularly distributed, stimulus attribute in working memory is matched to a representation of the attribute in the stimulus display. Memory retrieval is modeled as a 2-dimensional diffusion process with vector-valued drift on a disk, whose bounding circle represents the decision criterion. The direction and magnitude of the drift vector describe the identity of the stimulus and the quality of its representation in memory, respectively. The point at which the diffusion exits the disk determines the reported value of the attribute and the time to exit the disk determines the decision time. Expressions for the joint distribution of decision times and report outcomes are obtained by means of the Girsanov change-of-measure theorem, which allows the properties of the nonzero-drift diffusion process to be characterized as a function of a Euclidian-distance Bessel process. Predicted report precision is equal to the product of the decision criterion and the drift magnitude and follows a von Mises distribution, in agreement with the treatment of precision in the working memory literature. Trial-to-trial variability in criterion and drift rate leads, respectively, to direct and inverse relationships between report accuracy and decision times, in agreement with, and generalizing, the standard diffusion model of 2-choice decisions. The 2-dimensional model provides a process account of working memory precision and its relationship with the diffusion model, and a new way to investigate the properties of working memory, via the distributions of decision times. (PsycINFO Database Record PMID:26949831
Natural equilibria in steady-state neutron diffusion with temperature feedback
Pounders, J. M.; Ingram, R.
2013-07-01
The critical diffusion equation with feedback is investigated within the context of steady-state multiphysics. It is proposed that for critical configurations there is no need to include the multiplication factor k in the formulation of the diffusion equation. This is notable because exclusion of k from the coupled system of equations precludes the mathematically tenuous notion of a nonlinear eigenvalue problem. On the other hand, it is shown that if the factor k is retained in the diffusion equation, as is currently common practice, then the resulting problem is equivalent to the constrained minimization of a functional representing the critical equilibrium of neutron and temperature distributions. The unconstrained solution corresponding to k = 1 represents the natural equilibrium of a critical system at steady-state. Computational methods for solving the constrained problem (with k) are briefly reviewed from the literature and a method for the unconstrained problem (without k) is outlined. A numerical example is studied to examine the effects of the constraint in the nonlinear system. (authors)
The measurement of self-diffusion coefficients in liquid metals with quasielastic neutron scattering
NASA Astrophysics Data System (ADS)
Meyer, Andreas
2015-01-01
Quasielastic incoherent neutron scattering (QENS) has proven to be a versatile tool to study self diffusion of atoms in liquid metals. Here it is shown, that coherent contributions to the signal in the small q limit appear as a flat and energy independent constant to the QENS signal in single-component liquid metals even for systems with a small incoherent scattering cross section, like aluminum. Container-less processing via electromagnetic or electrostatic levitation devices, especially designed for QENS, enables the in-situ measurement on liquid metallic droplets of sizes between 5 mm to 10 mm in diameter. This gives access to the study of chemically reactive, refractory metallic melts and extends the accessible temperature range to undercoolings of several hundred Kelvin below the respective melting point. Compared to experiments using a thin-walled crucible giving hollow-cylindrical sample geometry it is shown that multiple scattering on levitated droplets is negligible for the analysis of the self-diffusion coefficient. QENS results of liquid germanium and 73germanium isotope mixtures, titanium, nickel, copper and aluminum are reviewed. The self-diffusion coefficients of these systems are best described by an Arrhenius-type temperature dependence around their respective melting points.
Knudsen Reactivity Reduction: Kinetic Theory of Diffusion Process
NASA Astrophysics Data System (ADS)
Nelson, Eric; Dodd, Evan; Molvig, Kim; Albright, Brian; Hoffman, Nelson; Zimmerman, George; Williams, Ed
2012-10-01
Previous work that found significant fusion reactivity reduction due to Knudsen layer losses [1], utilized a twice simplified treatment of the loss process that first went to the diffusion limit of the transport and then replaced the spatial kinetic diffusion operator by a local loss process. The derivation of kinetic diffusion utilized a stochastic differential equation technique to show that convection in combination with pitch-angle scattering yields spatial diffusion asymptotically over long time and spatial intervals. The same technique can be extended to include the independent energy scattering stochastic process. For the linear Fokker-Planck equation that governs the tail ions this gives a very efficient (particle like) numerical technique that can solve the complete ion tail problem in the three phase space dimensions of pitch-angle, energy, and spatial coordinate. The method allows inclusion of a temperature gradient and specified ambipolar electric fields. We present simulation results of the depleted tail distributions and fusion reactivities, and compare with the predictions of the simple local loss method.[4pt] [1] Kim Molvig, Nelson N. Hoffman, Brian J. Albright, Eric M. Nelson, and, Robert J. Webster (submitted to Physical Review Letters, 2012)
Black holes and neutron stars in the generalized tensor-vector-scalar theory
Lasky, Paul D.
2009-10-15
Bekenstein's tensor-vector-scalar (TeVeS) theory has had considerable success as a relativistic theory of modified Newtonian dynamics. However, recent work suggests that the dynamics of the theory are fundamentally flawed and numerous authors have subsequently begun to consider a generalization of TeVeS where the vector field is given by an Einstein-Aether action. Herein, I develop strong-field solutions of the generalized TeVeS theory, in particular exploring neutron stars as well as neutral and charged black holes. I find that the solutions are identical to the neutron star and black hole solutions of the original TeVeS theory, given a mapping between the parameters of the two theories, and hence provide constraints on these values of the coupling constants. I discuss the consequences of these results in detail including the stability of such spacetimes as well as generalizations to more complicated geometries.
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…
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.
Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model
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.
Parareal in time 3D numerical solver for the LWR Benchmark neutron diffusion transient model
NASA Astrophysics Data System (ADS)
Baudron, Anne-Marie; Lautard, Jean-Jacques; Maday, Yvon; Riahi, Mohamed Kamel; Salomon, Julien
2014-12-01
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.
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.
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.
Dworak, D; Loskiewicz, J; Janik, M
2001-05-01
The diffusion approximation solution for neutron transport has been used in well-logging geophysics for calculating tool responses in boreholes, sometimes with success. The problem of the dimension of different materials to which it can be applied with success is important for the borehole environment. The results obtained show that the diffusion approximation can be used for distances greater than a few millimetre in some rock types. For iron, barium, and other highly absorbing media the use of the diffusion approximation is inappropriate even for large distances. PMID:11258535
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.
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.
Advanced nodal neutron diffusion method with space-dependent cross sections: ILLICO-VX
Rajic, H.L.; Ougouag, A.M.
1987-01-01
Advanced transverse integrated nodal methods for neutron diffusion developed since the 1970s require that node- or assembly-homogenized cross sections be known. The underlying structural heterogeneity can be accurately accounted for in homogenization procedures by the use of heterogeneity or discontinuity factors. Other (milder) types of heterogeneity, burnup-induced or due to thermal-hydraulic feedback, can be resolved by explicitly accounting for the spatial variations of material properties. This can be done during the nodal computations via nonlinear iterations. The new method has been implemented in the code ILLICO-VX (ILLICO variable cross-section method). Numerous numerical tests were performed. As expected, the convergence rate of ILLICO-VX is lower than that of ILLICO, requiring approx. 30% more outer iterations per k/sub eff/ computation. The methodology has also been implemented as the NOMAD-VX option of the NOMAD, multicycle, multigroup, two- and three-dimensional nodal diffusion depletion code. The burnup-induced heterogeneities (space dependence of cross sections) are calculated during the burnup steps.
Donovan, Preston; Chehreghanianzabi, Yasaman; Rathinam, Muruhan; Zustiak, Silviya Petrova
2016-01-01
The study of diffusion in macromolecular solutions is important in many biomedical applications such as separations, drug delivery, and cell encapsulation, and key for many biological processes such as protein assembly and interstitial transport. Not surprisingly, multiple models for the a-priori prediction of diffusion in macromolecular environments have been proposed. However, most models include parameters that are not readily measurable, are specific to the polymer-solute-solvent system, or are fitted and do not have a physical meaning. Here, for the first time, we develop a homogenization theory framework for the prediction of effective solute diffusivity in macromolecular environments based on physical parameters that are easily measurable and not specific to the macromolecule-solute-solvent system. Homogenization theory is useful for situations where knowledge of fine-scale parameters is used to predict bulk system behavior. As a first approximation, we focus on a model where the solute is subjected to obstructed diffusion via stationary spherical obstacles. We find that the homogenization theory results agree well with computationally more expensive Monte Carlo simulations. Moreover, the homogenization theory agrees with effective diffusivities of a solute in dilute and semi-dilute polymer solutions measured using fluorescence correlation spectroscopy. Lastly, we provide a mathematical formula for the effective diffusivity in terms of a non-dimensional and easily measurable geometric system parameter. PMID:26731550
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.
Diffuse magnetic neutron scattering in the highly frustrated double perovskite Ba2YRuO6
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
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.
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.
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.
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.
On the widespread use of the Corrsin hypothesis in diffusion theories
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.
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.
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…
Diffusion, Uptake and Release of Hydrogen in p-type Gallium Nitride: Theory and Experiment
MYERS JR.,SAMUEL M.; WRIGHT,ALAN F.; PETERSEN,GARY A.; WAMPLER,WILLIAM R.; SEAGER,CARLETON H.; CRAWFORD,MARY H.; HAN,JUNG
2000-06-27
The diffusion, uptake, and release of H in p-type GaN are modeled employing state energies from density-function theory and compared with measurements of deuterium uptake and release using nuclear-reaction analysis. Good semiquantitative agreement is found when account is taken of a surface permeation barrier.
The informatics nurse specialist as change agent. Application of innovation-diffusion theory.
Hilz, L M
2000-01-01
The informatics nurse specialist (INS) is often the primary change agent in facilitating the implementation of clinical information systems (CIS) in healthcare settings. The INS has a unique understanding of the nursing issues that can affect the change process, and thus is in a key position to facilitate positive implementation outcomes. Innovation-diffusion theory is particularly useful in its application to the change agent role of the INS. With this theoretical knowledge, the INS can design CIS training interventions according to the psychological phenomena of Rogers' Innovation-Decision Process. An understanding of the decision-making process and the distribution of different rates of innovation adoption within a given population enable the INS to anticipate and address influential factors that affect the implementation process. Thus, Innovation-Diffusion Theory may be used as a powerful cognitive tool for the INS in facilitating the diffusion process and nurses' adoption of the technology in practice. PMID:11105401
Constraining scalar-tensor theories of gravity from the most massive neutron stars
NASA Astrophysics Data System (ADS)
Palenzuela, Carlos; Liebling, Steven L.
2016-02-01
Scalar-tensor (ST) theories of gravity are natural phenomenological extensions to general relativity. Although these theories are severely constrained both by solar system experiments and by binary pulsar observations, a large set of ST families remain consistent with these observations. Recent work has suggested probing the unconstrained region of the parameter space of ST theories based on the stability properties of highly compact neutron stars. Here, the dynamical evolution of very compact stars in a fully nonlinear code demonstrates that the stars do become unstable and that the instability, in some cases, drives the stars to collapse. We discuss the implications of these results in light of recent observations of the most massive neutron star yet observed. In particular, such observations suggest that such a star would be subject to the instability for a certain regime; its existence therefore supports a bound on the ST parameter space.
Constraints on Neutron Star Radii Based on Chiral Effective Field Theory Interactions
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.
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.
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.
Two-dimensional finite element neutron diffusion analysis using hierarchic shape functions
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.
Application of subgroup decomposition in diffusion theory to gas cooled thermal reactor problem
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)
Ravi-Kumar, V.S.; Tsotsis, T.T.; Sahimi, M.
1997-08-01
The results of ongoing efforts by this group to model the transport of asphaltene molecules through model membranes are presented. A model is described which aims to capture the effect of the polydisperse nature of asphaltene molecules on their transport properties. The asphaltene structure is generated stochastically using Monte Carlo techniques. Individual asphaltene molecules are approximated as spheroids for the purpose of calculating their hindered diffusivities. Continuum hydrodynamic theories and boundary element methods are used to calculate the diffusion coefficients. A number of analytical expressions, scaling relationships and approximations utilized in the literature are evaluated.
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.
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.
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.
Field-theory calculation of the electric dipole moment of the neutron and paramagnetic atoms
NASA Astrophysics Data System (ADS)
Blundell, S. A.; Griffith, J.; Sapirstein, J.
2012-07-01
Electric dipole moments (edms) of bound states that arise from the constituents having edms are studied with field-theoretic techniques. The systems treated are the neutron and a set of paramagnetic atoms. In the latter case it is well known that the atomic edm differs greatly from the electron edm when the internal electric fields of the atom are taken into account. In the nonrelativistic limit these fields lead to a complete suppression, but for heavy atoms large enhancement factors are present. A general bound-state field theory approach applicable to both the neutron and paramagnetic atoms is set up. It is applied first to the neutron, treating the quarks as moving freely in a confining spherical well. It is shown that the effect of internal electric fields is small in this case. The atomic problem is then revisited using field-theory techniques in place of the usual Hamiltonian methods, and the atomic enhancement factor is shown to be consistent with previous calculations. Possible application of bound-state techniques to other sources of the neutron edm is discussed.
Field theory for a reaction-diffusion model of quasispecies dynamics.
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
Detailed numerical investigation of the Bohm limit in cosmic ray diffusion theory
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.
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.
Many-particle theory of nuclear system with application to neutron-star matter and other systems
NASA Technical Reports Server (NTRS)
Yang, C. H.
1978-01-01
General problems in nuclear-many-body theory were considered. Superfluid states of neutron star matter and other strongly interacting many-fermion systems were analyzed by using the soft-core potential of Reid. The pion condensation in neutron star matter was also treated.
Energy Science and Technology Software Center (ESTSC)
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.
Energy Science and Technology Software Center (ESTSC)
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.
NASA Astrophysics Data System (ADS)
Oterkus, Selda; Madenci, Erdogan; Agwai, Abigail
2014-05-01
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.
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.
Statistical Mechanical Theory of Penetrant Diffusion in Polymer Melts and Glasses
NASA Astrophysics Data System (ADS)
Zhang, Rui; Schweizer, Kenneth
We generalize our force-level, self-consistent nonlinear Langevin equation theory of activated diffusion of a dilute spherical penetrant in hard sphere fluids to predict the long-time diffusivity of molecular penetrants in supercooled polymer liquids and non-aging glasses. Chemical complexity is treated using an a priori mapping to a temperature-dependent hard sphere mixture model where polymers are disconnected into effective spheres based on the Kuhn length as the relevant coarse graining scale. A key parameter for mobility is the penetrant to polymer segment diameter ratio, R. Our calculations agree well with experimental measurements for a wide range of temperatures, penetrant sizes (from gas molecules with R ~0.3 to aromatic molecules with R ~1) and diverse amorphous polymers, over 10 decades variation of penetrant diffusivity. Structural parameter transferability is good. We have also formulated a theory at finite penetrant loading for the coupled penetrant-polymer dynamics in chemically (nearly) matched mixtures (e.g., toluene-polystyrene) which captures well the increase of penetrant diffusivity and decrease of polymer matrix vitrification temperature with increasing loading.
Bowen, Constance Mary; Stanton, Marietta; Manno, Martin
2012-01-01
Routine screening of mechanically ventilated patients for delirium is essential for prompt recognition and management; however, this represents a change in practice. Rogers' Diffusion of Innovations Theory can be useful as a strategy to facilitate adoption of a practice change. This case study describes the effectiveness of identifying barriers to a change in practice and developing strategies, specific to Rogers' innovation decision process, for implementing the Confusion Assessment Method for the intensive care unit. PMID:22367153
Application of diffusion theory to the analysis of hydrogen desorption data at 25 deg C
Danford, M.D.
1985-10-01
The application of diffusion theory to the analysis of hydrogen desorption data (coulombs of H/sub 2/ desorbed versus time) has been studied. From these analyses, important information concerning hydrogen solubilities and the nature of the hydrogen distributions in the metal has been obtained. Two nickel base alloys, Rene' 41 and Waspaloy, and one ferrous alloy, 4340 steel, are studied in this work. For the nickel base alloys, it is found that the hydrogen distributions after electrolytic charging conforms closely to those which would be predicted by diffusion theory. For Waspaloy samples charged at 5,000 psi, it is found that the hydrogen distributions are essentially the same as those obtained by electrolytic charging. The hydrogen distributions in electrolytically charged 4340 steel, on the other hand, are essentially uniform in nature, which would not be predicted by diffusion theory. A possible explanation has been proposed. Finally, it is found that the hydrogen desorption is completely explained by the nature of the hydrogen distribution in the metal, and that the fast hydrogen is not due to surface and sub-surface hydride formation, as was originally proposed.
The application of diffusion theory to the analysis of hydrogen desorption data at 25 deg C
NASA Technical Reports Server (NTRS)
Danford, M. D.
1985-01-01
The application of diffusion theory to the analysis of hydrogen desorption data (coulombs of H2 desorbed versus time) has been studied. From these analyses, important information concerning hydrogen solubilities and the nature of the hydrogen distributions in the metal has been obtained. Two nickel base alloys, Rene' 41 and Waspaloy, and one ferrous alloy, 4340 steel, are studied in this work. For the nickel base alloys, it is found that the hydrogen distributions after electrolytic charging conforms closely to those which would be predicted by diffusion theory. For Waspaloy samples charged at 5,000 psi, it is found that the hydrogen distributions are essentially the same as those obtained by electrolytic charging. The hydrogen distributions in electrolytically charged 4340 steel, on the other hand, are essentially uniform in nature, which would not be predicted by diffusion theory. A possible explanation has been proposed. Finally, it is found that the hydrogen desorption is completely explained by the nature of the hydrogen distribution in the metal, and that the fast hydrogen is not due to surface and sub-surface hydride formation, as was originally proposed.
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.
Liu, Yu
2016-05-11
I developed a novel time-dependent density functional theory (TDDFT) and applied it to complicated 3-dimensional systems for the first time. Superior to conventional TDDFT, the diffusion coefficient is modeled as a function of density profile, which is self-determined by the entropy scaling rule instead using an input parameter. The theory was employed to mimic gas diffusion in a nanoporous material. The TDDFT prediction on the transport diffusivity was reasonable compared to simulations. Moreover, the time-dependent density profiles gave an insight into the microscopic mechanism of the diffusion process. PMID:27121986
Directions of Improvement in the Theory of Perpendicular Diffusion of Energetic Charged Particles
NASA Astrophysics Data System (ADS)
Ruffolo, D. J.; Pianpanit, T.; Chuychai, P.; Matthaeus, W. H.; Qin, G.
2012-12-01
In the study of energetic particle transport through magnetic turbulence, the nonlinear guiding center (NLGC) theory has provided new insight and improved modeling of the asymptotic perpendicular diffusion coefficient κ ⊥. Here we explore the key assumptions of NLGC theory, and examine three directions for improvement, while retaining the format of a simple analytic theory that can readily be evaluated: 1) For a two-component 2D+slab model of turbulence, our simulation results support the Shalchi slab hypothesis that the slab contribution is subdiffusive, and when considering only the 2D contribution we obtain an improved description of the diffusion coefficient κ ⊥. 2) We replace the assumption of diffusive decorrelation with random ballistic decorrelation (RBD), which yields an explicit formula for κ ⊥. We note that scattering processes can cause a reversal of the guiding center motion along the field line, i.e., "backtracking," leading to partial cancellation of contributions to κ ⊥, especially for low-wavenumber components of the magnetic turbulence. We therefore include a heuristic backtracking correction (BC) that can be used in combination with RBD. 3) Based on careful consideration of various assumptions, the unknown prefactor a2 can be replaced by known factors. We also provide a simple approximation formula for the case of weak pitch-angle scattering. In comparison with computer simulation results for various cases, the modified theories provide an improved match with direct simulation results for κ ⊥ and its parameter dependence. Partially supported by the Thailand Research Fund, the Development and Promotion of Science and Technology Talents Project of the Royal Thai Government, Thailand's Commission on Higher Education (MRG 5286239), the U.S. NSF (AGS-1063439 and SHINE AGS-1156094), NASA (Heliophysics Theory NNX11AJ4G), and the Solar Probe Plus/ISIS project.
Moment of inertia of neutron star crust in alternative and modified theories of gravity
NASA Astrophysics Data System (ADS)
Staykov, Kalin V.; Ekşi, K. Yavuz; Yazadjiev, Stoytcho S.; Türkoǧlu, M. Metehan; Arapoǧlu, A. Savaş
2016-07-01
The glitch activity of young pulsars arises from the exchange of angular momentum between the crust and the interior of the star. Recently, it was inferred that the moment of inertia of the crust of a neutron star is not sufficient to explain the observed glitches. Such estimates are presumed in Einstein's general relativity in describing the hydrostatic equilibrium of neutron stars. The crust of the neutron star has a spacetime curvature of 14 orders of magnitude larger than that probed in solar system tests. This makes gravity the weakest constrained physics input in the crust-related processes. We calculate the ratio of the crustal to the total moment of inertia of neutron stars in the scalar-tensor theory of gravity and the nonperturbative f (R )=R +a R2 gravity. We find for the former that the crust-to-core ratio of the moment of inertia does not change significantly from what is inferred in general relativity. For the latter, we find that the ratio increases significantly from what is inferred in general relativity in the case of high mass objects. Our results suggest that the glitch activity of pulsars may be used to probe gravity models, although the gravity models explored in this work are not appropriate candidates.
NASA Astrophysics Data System (ADS)
Dzheparov, F. S.; Lvov, D. V.
2016-02-01
Multiple small-angle neutron scattering by a high-density system of inhomogeneities has been considered. A combined approach to the analysis of multiple small-angle neutron scattering has been proposed on the basis of the synthesis of the Zernike-Prince and Moliére formulas. This approach has been compared to the existing multiple small-angle neutron scattering theory based on the eikonal approximation. This comparison has shown that the results in the diffraction limit coincide, whereas differences exist in the refraction limit because the latter theory includes correlations between successive scattering events. It has been shown analytically that the existence of correlations in the spatial position of scatterers results in an increase in the number of unscattered neutrons. Thus, the narrowing of spectra of multiple small-angle neutron scattering observed experimentally and in numerical simulation has been explained.
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%.
NASA Astrophysics Data System (ADS)
Hasegawa, Takaaki
This paper describes diffusion of electric vehicles and novel social infrastructure from the viewpoint of systems innovation theory considering both human society aspects and elemental technological aspects. Firstly, fundamentals of the systems innovation theory and the platform theory are mentioned. Secondly, discussion on mobility from the viewpoint of the human-society layer and discussion of electrical vehicles from the viewpoint of the elemental techniques are carried out. Thirdly, based on those, R & D, measures are argued such as establishment of the ubiquitous noncontact feeding and authentication payment system is important. Finally, it is also insisted that after the establishment of this system the super smart grid with temporal and spatial control including demand itself with the low social cost will be expected.
Neutron-star mergers in scalar-tensor theories of gravity
NASA Astrophysics Data System (ADS)
Barausse, Enrico; Palenzuela, Carlos; Ponce, Marcelo; Lehner, Luis
2013-04-01
Scalar-tensor theories of gravity are natural phenomenological alternatives to General Relativity. In these theories, the gravitational interaction is mediated by a scalar degree of freedom, besides the gravitons. In regions of the parameter space of these theories where constraints from both solar system experiments and binary-pulsar observations are satisfied, we show that binaries of neutron stars present marked differences from General Relativity in both the late-inspiral and merger phases. These strong-field effects are difficult to reproduce in General Relativity, even with an exotic equation of state. Further, we discuss possible detectability of these differences with Advanced LIGO/VIRGO as well as astrophysical implications in possible models for energetic electromagnetic events.
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.
Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions.
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. PMID:26472397
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.
Theory of activated penetrant diffusion in viscous fluids and colloidal suspensions
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.
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.
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.
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.
Pretransitional diffuse neutron scattering in the mixed perovskite relaxor K1-xLixTaO3
NASA Astrophysics Data System (ADS)
Yong, Grace; Toulouse, Jean; Erwin, Ross; Shapiro, Stephen M.; Hennion, Bernard
2000-12-01
Several previous studies of K1-xLixTaO3 (KLT) have revealed the presence, above the structural transition, of polar nanoregions. Recently, these have been shown to play an essential role in the relaxor behavior of KLT. In order to characterize these regions, we have performed a neutron-scattering study of KLT crystals with different lithium concentrations, both above and below the critical concentration. This study reveals the existence of diffuse scattering that appears upon formation of these regions. The rodlike distribution of the diffuse scattering along cubic directions indicates that the regions form in the shape of discs in the various cubic planes. From the width of the diffuse scattering we extract values for a correlation length or size of the regions as a function of temperature. Finally, on the basis of the reciprocal lattice points around which the diffuse scattering is most intense, we conclude that the regions have tetragonal symmetry. The large increase in Bragg intensities at the first-order transition suggests that the polar regions freeze to form large structural domains and the transition is triggered by the percolation of strain fields through the crystals.
NASA Astrophysics Data System (ADS)
Pál, L.; Pázsit, I.
2015-09-01
The signals of fission chambers are usually evaluated with the help of the co-called Campbelling techniques. These are based on the Campbell theorem, which states that if the primary incoming events, generating the detector pulses, are independent, then relationships exist between the moments of various orders of the signal in the current mode. This gives the possibility to determine the mean value of the intensity of the detection events, which is proportional to the static flux, from the higher moments of the detector current, which has certain advantages. However, the main application area of fission chambers is measurements in power reactors where, as is well known, the individual detection events are not independent, due to the branching character of the neutron chains (neutron multiplication). Therefore it is of interest to extend the Campbelling-type theory for the case of correlated neutron events. Such a theory could address two questions: partly, to investigate the bias when the traditional Campbell techniques are used for correlated incoming events; and partly, to see whether the correlation properties of the detection events, which carry information on the multiplying medium, could be extracted from the measurements. This paper is devoted to the investigation of these questions. The results show that there is a potential possibility to extract the same information from fission chamber signals in the current mode as with the Rossi- or Feynman-alpha methods, or from coincidence and multiplicity measurements, which so far have required detectors working in the pulse mode. It is also shown that application of the standard Campbelling techniques to neutron detection in multiplying systems does not lead to an error for estimating the stationary flux as long as the detector is calibrated in in situ measurements.
Dynamical Theory of Neutron Diffraction for Perfect Crystals with and Without Strain Gradients
NASA Astrophysics Data System (ADS)
Maheswaran, Saravanamuthu
The dynamical theory of neutron diffraction is studied for perfect crystals and crystals with strain gradients. In the case of parallel-sided slab crystals, it is customary to distinguish the Bragg case where the beam enters and exits on the same side of the slab and the Laue case where the beam enters on one side and exits on the other. The symmetric Bragg case has the angle of incidence equal to the angle of diffraction with respect to the surface, that is the scattering vector is perpendicular to the surface. In the symmetric Laue case the scattering vector is parallel to the surface. In extreme cases either the incoming or exiting beam is close to being parallel to the surface. Schrodinger's equation for the perfect slab crystal with a periodic potential is solved by two methods which can give similar results. In the first method, which is known as the eikonal approach, a quartic dispersion relation is obtained and solved for all possible internal wave vectors. A given incident plane wave generates four pairs of internal waves. Each pair is coupled together by the periodic potential. Four waves, in addition to the incident wave, appear outside the crystal as a result of the interaction with the crystal slab. All the unknown internal and external amplitudes are found from the boundary conditions. In non-extreme cases, two pairs of internal waves suffice to describe the propagation of neutrons in the crystal. In the second approach, commonly referred to as the Takagi-Taupin method, one assumes that the wave amplitudes are position dependent solutions of coupled differential equations. We have measured the dependence of the diffracted beam intensity as a function of thickness of Si wafers and found good agreement with the theory. The theory has applications in the design of elements for neutron optics, particularly monochromating and analyzing crystals. In the extreme cases, all four pairs of internal waves are considered. It is shown that three pairs are
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.
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.
Theory of diffusion-accommodated grain rotation in columnar polycrystalline microstructures.
Moldovan, D.; Wolf, D.; Phillpot, S. R.; Materials Science Division
2001-10-09
A dynamical theory of grain rotation in columnar polycrystalline microstructures is developed based on the theory of diffusion-accommodated grain-boundary sliding by Raj and Ashby. The driving force for rotation of any given grain is given by the aggregate torque on the grain, i.e., by the weighted sum of the energy derivatives with respect to the misorientations of all the grain boundaries delimiting the grain. Analogous to the Raj-Ashby theory, grain rotation is viewed as a sliding problem on the periphery of the grain; the necessary changes in the grain shape during rotation are assumed to be accommodated by diffusion either through the grain boundaries or through the grain interiors. Our main result is an analytic expression for the rate of rotation of a grain of arbitrary shape as a function of the grain size and temperature. This expression reduces to an earlier result of Harris et al. for the special case of a regular-hexagonal grain shape.
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.
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. PMID:21209293
NASA Astrophysics Data System (ADS)
Ghanbarian, Behzad; Daigle, Hugh; Hunt, Allen G.; Ewing, Robert P.; Sahimi, Muhammad
2015-01-01
Understanding and accurate prediction of gas or liquid phase (solute) diffusion are essential to accurate prediction of contaminant transport in partially saturated porous media. In this study, we propose analytical equations, using concepts from percolation theory and the Effective Medium Approximation (EMA) to model the saturation dependence of both gas and solute diffusion in porous media. The predictions of our theoretical approach agree well with the results of nine lattice Boltzmann simulations. We find that the universal quadratic scaling predicted by percolation theory, combined with the universal linear scaling predicted by the EMA, describes diffusion in porous media with both relatively broad and extremely narrow pore size distributions.
Lovejoy, Travis I; Demireva, Petya D; Grayson, Jessica L; McNamara, John R
2009-03-01
With the advancements of technology and its increasing use in all spheres of life, clinicians too are faced with the decision of whether to adopt or refrain from adopting certain innovations in their practice. This article discusses the process of adopting clinical innovations within a theoretical framework, namely diffusion of innovations theory (DIT; Rogers, 2003). DIT constructs are applied to the example of online therapy adoption into clinical practice. Nine adoption barriers are identified, including issues of dehumanizing the therapeutic environment, start-up cost and reimbursement, infrastructure and training, licensure and jurisdiction concerns, ethical guidelines, both client and clinician suitability factors, and professional reputation and acceptance within the field. The authors conclude with a theory-based discussion of activities that may help to accelerate the adoption of online therapy among professional psychologists. (PsycINFO Database Record (c) 2010 APA, all rights reserved). PMID:22122574
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
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.
User`s manual for GILDA: An infinite lattice diffusion theory calculation
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.
Benchmarking report for WIGGLE: A one-dimensional transient diffusion theory code
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.
Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory
NASA Astrophysics Data System (ADS)
Kolsbjerg, Esben L.; Groves, Michael N.; Hammer, Bjørk
2016-04-01
The adsorption, diffusion, and dissociation of pyridine, C5H5N, on Pt(111) are investigated with van der Waals-corrected density functional theory. An elaborate search for local minima in the adsorption potential energy landscape reveals that the intact pyridine adsorbs with the aromatic ring parallel to the surface. Piecewise interconnections of the local minima in the energy landscape reveal that the most favourable diffusion path for pyridine has a barrier of 0.53 eV. In the preferred path, the pyridine remains parallel to the surface while performing small single rotational steps with a carbon-carbon double bond hinged above a single Pt atom. The origin of the diffusion pathway is discussed in terms of the C2-Pt π-bond being stronger than the corresponding CN-Pt π-bond. The energy barrier and reaction enthalpy for dehydrogenation of adsorbed pyridine into an adsorbed, upright bound α-pyridyl species are calculated to 0.71 eV and 0.18 eV, respectively (both zero-point energy corrected). The calculations are used to rationalize previous experimental observations from the literature for pyridine on Pt(111).
Development of the new approach to the diffusion-limited reaction rate theory
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.
Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory.
Kolsbjerg, Esben L; Groves, Michael N; Hammer, Bjørk
2016-04-28
The adsorption, diffusion, and dissociation of pyridine, C5H5N, on Pt(111) are investigated with van der Waals-corrected density functional theory. An elaborate search for local minima in the adsorption potential energy landscape reveals that the intact pyridine adsorbs with the aromatic ring parallel to the surface. Piecewise interconnections of the local minima in the energy landscape reveal that the most favourable diffusion path for pyridine has a barrier of 0.53 eV. In the preferred path, the pyridine remains parallel to the surface while performing small single rotational steps with a carbon-carbon double bond hinged above a single Pt atom. The origin of the diffusion pathway is discussed in terms of the C2-Pt π-bond being stronger than the corresponding CN-Pt π-bond. The energy barrier and reaction enthalpy for dehydrogenation of adsorbed pyridine into an adsorbed, upright bound α-pyridyl species are calculated to 0.71 eV and 0.18 eV, respectively (both zero-point energy corrected). The calculations are used to rationalize previous experimental observations from the literature for pyridine on Pt(111). PMID:27131536
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
Localization theory in zero dimension and the structure of the diffusion poles
Suslov, I. M.
2007-12-15
The 1/[-i{omega} + D({omega}, q)q{sup 2}] diffusion pole in the localized phase transfers to the 1/{omega} Berezinskii-Gorkov singularity, which can be analyzed by the instanton method {l_brace}M. V. Sadovskii, Zh. Eksp. Teor. Fiz. 83, 1418 (1982) [Sov. Phys. JETP 56, 816 (1982)] and J. L. Cardy, J. Phys. C 11, L321 (1978){r_brace}. When this approach is used directly, contradictions arise and do not disappear even if the problem is extremely simplified by taking the zero-dimensional limit. On the contrary, they are extremely sharpened in this case and become paradoxes. The main paradox is specified by the following statements: (i) the 1/{omega} singularity is determined by high orders of perturbation theory, (ii) the high-order behaviors for {phi}{sup RA} and U{sup RA} are the same, and (iii) {phi}{sup RA} has the 1/{omega} singularity, whereas U{sup RA} does not have it. Solution to the paradox indicates that the instanton method makes it possible to obtain only the 1/({omega} + 2i{gamma}) singularity, where the parameter {gamma} remains indefinite and must be determined from additional conditions. This conceptually confirms the necessity of the self-consistent treatment of the diffusion coefficient used in the Vollhardt-Woelfle-type theories.
Link between alginate reaction front propagation and general reaction diffusion theory.
Braschler, Thomas; Valero, Ana; Colella, Ludovica; Pataky, Kristopher; Brugger, Jürgen; Renaud, Philippe
2011-03-15
We provide a common theoretical framework reuniting specific models for the Ca(2+)-alginate system and general reaction diffusion theory along with experimental validation on a microfluidic chip. As a starting point, we use a set of nonlinear, partial differential equations that are traditionally solved numerically: the Mikkelsen-Elgsaeter model. Applying the traveling-wave hypothesis as a major simplification, we obtain an analytical solution. The solution indicates that the fundamental properties of the alginate reaction front are governed by a single dimensionless parameter λ. For small λ values, a large depletion zone accompanies the reaction front. For large λ values, the alginate reacts before having the time to diffuse significantly. We show that the λ parameter is of general importance beyond the alginate model system, as it can be used to classify known solutions for second-order reaction diffusion schemes, along with the novel solution presented here. For experimental validation, we develop a microchip model system, in which the alginate gel formation can be carried out in a highly controlled, essentially 1D environment. The use of a filter barrier enables us to rapidly renew the CaCl(2) solution, while maintaining flow speeds lower than 1 μm/s for the alginate compartment. This allows one to impose an exactly known bulk CaCl(2) concentration and diffusion resistance. This experimental model system, taken together with the theoretical development, enables the determination of the entire set of physicochemical parameters governing the alginate reaction front in a single experiment. PMID:21351747
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.
NASA Astrophysics Data System (ADS)
Grzetic, Douglas; Wickham, Robert
We simulate chain diffusion in ordered phases of a diblock copolymer melt, using our recently-developed dynamical self-consistent mean-field theory [J. Chem. Phys. 140, 244907 (2014)]. This theory enables us to study large length and time scales in these dense systems, while remaining connected, in a self-consistent manner, to the microscopic physics of Brownian chains whose beads interact via a species-dependent modified Lennard-Jones potential. In the LAM and HEX phases, chain diffusion perpendicular to the microdomain interface is exponentially suppressed with increasing segregation, while parallel diffusion is unaffected. In the BCC phase, diffusion is isotropic and is gradually suppressed with increasing segregation. Chain diffusion is also isotropic in the gyroid phase, but does not vanish with increasing segregation. Instead, the diffusion constant asymptotes to a value consistent with chain diffusion being restricted to the interface of the three-dimensional gyroid network of struts, characterized by a network tortuosity value of 1 . 72 . Finally, we measure the out-of-equilibrium evolution of the anisotropy in the chain diffusion as metastable LAM transforms to stable HEX over long times.
Ougouag, Abderrafi Mohammed-El-Ami; Terry, William Knox
2002-04-01
The usual strategy for solving the neutron diffusion equation in two or three dimensions by nodal methods is to reduce the multidimensional partial differential equation to a set of ordinary differential equations (ODEs) in the separate spatial coordinates. This reduction is accomplished by “transverse integration” of the equation.1 For example, in three-dimensional Cartesian coordinates, the three-dimensional equation is first integrated over x and y to obtain an ODE in z, then over x and z to obtain an ODE in y, and finally over y and z to obtain an ODE in x. Then the ODEs are solved to obtain onedimensional solutions for the neutron fluxes averaged over the other two dimensions. These solutions are found in regions (“nodes”) small enough for the material properties and cross sections in them to be adequately represented by average values. Because the solution in each node is an exact analytical solution, the nodes can be much larger than the mesh elements used in finite-difference solutions. Then the solutions in the different nodes are coupled by applying interface conditions, ultimately fixing the solutions to the external boundary conditions.
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
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
NASA Astrophysics Data System (ADS)
Fung, Jimmy
We describe a technique for the efficient computation of the dominant-scale dynamics of a fluid system when only a high-fidelity simulation is available. Such a technique is desirable when governing equations for the dominant scales are unavailable, when model reduction is impractical, or when the original high-fidelity computation is expensive. We adopt the coarse analysis framework proposed by I. G. Kevrekidis (Comm. Math. Sci. 2003), where a computational superstructure is designed to use short-time, high-fidelity simulations to extract the dominant features for a multiscale system. We apply this technique to compute the dominant features of the compressible flow through a planar diffuser. We apply the proper orthogonal decomposition to classify the dominant and subdominant scales of diffuser flows. We derive a coarse projective Adams-Bashforth time integration routine and compute averaged diffuser flows. The results include accurate tracking of the dominant-scale dynamics for a range of parameter values for the computational superstructure. These results demonstrate that coarse analysis methods are useful for solving fluid flow problems of a multiscale nature. In order to elucidate the behavior of coarse analysis techniques, we make comparisons to averaging theory. To this end, we derive governing equations for the average motion of charged particles in a magnetic field in a number of different settings. First, we apply a novel procedure, inspired by WKB theory and Whitham averaging, to average the variational principle. The resulting equations are equivalent to the guiding center equations for charged particle motion; this marks an instance where averaging and variational principles commute. Secondly, we apply Lagrangian averaging techniques, previously applied in fluid mechanics, to derive averaged equations. Making comparisons to the WKB/Whitham derivation allows for the necessary closure of the Lagrangian averaging formulation. We also discuss the
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
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
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
NASA Astrophysics Data System (ADS)
Mittal, Suman; Dutt, Ishwar
2016-05-01
Surface diffuseness parameter used in Woods-Saxon form of potential have been extracted from a large number of experimentally studied neutron-rich fusion cross sections at near barrier energies. The results of our systematic study reveals that the extracted diffuseness parameter depend linearly on the N/Z ratio of the fusing nuclei. Further, we demonstrated that the extracted values of surface diffuseness parameter lies within the range a = 0.40 to 0.77 fm as compared to commonly accepted value form scattering i.e. 0.63 fm.
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.
Testing universal relations of neutron stars with a nonlinear matter-gravity coupling theory
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.
Electromagnetic outflows in a class of scalar-tensor theories: Binary neutron star coalescence
NASA Astrophysics Data System (ADS)
Ponce, Marcelo; Palenzuela, Carlos; Barausse, Enrico; Lehner, Luis
2015-04-01
As we showed in previous work, the dynamics and gravitational emission of binary neutron-star systems in certain scalar-tensor theories can differ significantly from that expected from general relativity (GR) in the coalescing stage. In this work we examine whether the characteristics of the electromagnetic counterparts to these binaries—driven by magnetosphere interactions prior to the merger event—can provide an independent way to test gravity in the most strongly dynamical stages of binary mergers. We find that the electromagnetic flux emitted by binaries in these scalar-tensor theories can show deviations from the GR prediction in particular cases. These differences are quite subtle, thus requiring delicate measurements to differentiate between GR and the type of scalar-tensor theories considered in this work using electromagnetic observations alone. However, if coupled with a gravitational-wave detection, electromagnetic measurements might provide a way to increase the confidence with which GR will be confirmed (or ruled out) by gravitational observations.
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.
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.
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.
Failure of the gross theory of beta decay in neutron deficient nuclei
Firestone, R. B.; Schwengner, R.; Zuber, K.
2015-05-28
The neutron deficient isotopes ^{117-121}Xe, ^{117-124}Cs, and ^{122-124}Ba were produced by a beam of ^{28}Si from the LBNL SuperHILAC on a target of ^{nat}Mo. 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.
Failure of the gross theory of beta decay in neutron deficient nuclei
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
Theory of deep inelastic neutron scattering. II. Application to normal and superfluid 4He
NASA Astrophysics Data System (ADS)
Silver, Richard N.
1989-03-01
The hard-core perturbation theory (HCPT) predictions for high-momentum-transfer neutron scattering from liquid 4He are numerically evaluated. The input to the calculations are Monte Carlo and variational momentum distributions, the radial distribution function, and the Jeffreys-Wentzel-Kramers-Brillouin phase shifts for the He potential. Consistent with the ω2 sum rule, the Gaussian width of the dynamic structure function S(Q,ω) is the same in HCPT and in the impulse approximation (IA). However, where the IA predicts structure in S(Q,ω) below Tλ due to the Bose condensate, HCPT predicts that S(Q,ω) is smoothed by final-state broadening. The final-state effects are negligible for the normal fluid above Tλ. The approach to the IA at high Q is shown to be O(logQ) for the He-He potential, which implies that S(Q,ω) satisfies approximate Y scaling and that final-state broadening is significant for all feasible experiments. Extensions of HCPT to lower Q and to other systems are qualitatively discussed. The problem of extracting momentum distributions in quantum fluids and solids from high-Q neutron scattering is addressed.
Theory of deep inelastic neutron scattering. II. Application to normal and superfluid /sup 4/He
Silver, R.N.
1989-03-01
The hard-core perturbation theory (HCPT) predictions for high-momentum-transfer neutron scattering from liquid /sup 4/He are numerically evaluated. The input to the calculations are Monte Carlo and variational momentum distributions, the radial distribution function, and the Jeffreys-Wentzel-Kramers-Brillouin phase shifts for the He potential. Consistent with the ..omega../sup 2/ sum rule, the Gaussian width of the dynamic structure function S(Q,..omega..) is the same in HCPT and in the impulse approximation (IA). However, where the IA predicts structure in S(Q,..omega..) below T/sub lambda/ due to the Bose condensate, HCPT predicts that S(Q,..omega..) is smoothed by final-state broadening. The final-state effects are negligible for the normal fluid above T/sub lambda/. The approach to the IA at high Q is shown to be O(logQ) for the He-He potential, which implies that S(Q,..omega..) satisfies approximate Y scaling and that final-state broadening is significant for all feasible experiments. Extensions of HCPT to lower Q and to other systems are qualitatively discussed. The problem of extracting momentum distributions in quantum fluids and solids from high-Q neutron scattering is addressed.
S-pairing in neutron matter: I. Correlated basis function theory
NASA Astrophysics Data System (ADS)
Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.
2008-05-01
S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v and Argonne v) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions.
Mechanisms of ultrasonic modulation of multiply scattered incoherent light based on diffusion theory
NASA Astrophysics Data System (ADS)
Zhu, Li-Li; Li, Hui
2015-01-01
An analytic equation interpreting the intensity of ultrasound-modulated scattering light is derived, based on diffusion theory and previous explanations of the intensity modulation mechanism. Furthermore, an experiment of ultrasonic modulation of incoherent light in a scattering medium is developed. This analytical model agrees well with experimental results, which confirms the validity of the proposed intensity modulation mechanism. The model supplements the existing research on the ultrasonic modulation mechanism of scattering light. Project supported by the National Natural Science Foundation of China (Grant No. 61178089), the Key Program of Science and Technology of Fujian Province, China (Grant No. 2011Y0019), and the Educational Department of Fujian Province, China (Grant No. JA13074).
Multifractality and quantum diffusion from self-consistent theory of localization
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.
Effects of buoyancy on gas jet diffusion flames - Experiment and theory
NASA Technical Reports Server (NTRS)
Edelman, R. B.; Bahadori, M. Y.
1985-01-01
Theoretical and experimental research on the effects of buoyancy on gas-jet diffusion flames is described. Part of this research involves an assessment of existing data obtained under reduced-gravity conditions. The results show that uncertainties in the current understanding of flame structure exist and further research is required before reliable predictions of ignition, stabilization, and propagation of flames under microgravity conditions can be made. Steady-state and transient theories have been developed and used in the analysis of existing drop-tower data and new data obtained from a stationary experiment involving inverted flames. The result of this research has led to the definition of a microgravity experiment to be performed in space.
NASA Astrophysics Data System (ADS)
Hirschfeld, J. A.; Lustfeld, H.
2014-01-01
Electrolytes with high ionic diffusivity at temperatures distinctively lower than the presently used ones are the prerequisite for the success of, e.g., solid oxide fuel cells. We have found a promising structure having an asymmetric but superior ionic mobility in the direction of the oxygen-ion current. Using a layering of zirconium and yttrium in the fluorite structure of zirconia, a high vacancy concentration and a low migration barrier in two dimensions are obtained, while the mobility in the third direction is basically sacrificed. According to our density functional theory calculations an electrolyte made of this structure could operate at a temperature reduced by ≈200∘C. Thus a window to a different class of electrolytes has been flung open. In our structure the price paid is a more complicated manufacturing method.
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
Heavy-baryon chiral perturbation theory approach to thermal neutron capture on {sup 3}He
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.
Theory of magnetic neutron scattering for s- and d-wave superconductivity in cuprates
NASA Astrophysics Data System (ADS)
Dahm, T.; Rieck, C. T.; Tewordt, L.; Wermbter, S.
1994-04-01
We present a microscopic theory for strong spin-fluctuation exchange interaction and an additional electron-phonon interaction α 2F( q, ω). For an appropriate α 2F being independent of q we find s-wave superconductivity, whereas for an α 2F which is strongly suppressed at larger q due to strong electron correlations we find d-wave superconductivity. The resulting spectral weights of the dynamic spin susceptibility are in qualitative agreement with the neutron scattering data obtained on La 1.86Sr 0.14CuO 4 and YBa 2Cu 3O 6.92, respectively. For the d-wave pairing case the electronic thermal conductivity and the low-frequency electrical conductivity exhibit broad, but relatively small peaks below Tc. The quasiparticle relaxation rate decreases rapidly as T drops below Tc, in qualitative agreement with microwave and ultrafast laser measurements on YBCO and BISCO.
Diffusion of innovations theory applied to global tobacco control treaty ratification.
Valente, Thomas W; Dyal, Stephanie R; Chu, Kar-Hai; Wipfli, Heather; Fujimoto, Kayo
2015-11-01
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 7000-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
Diffuse phase transition in ferroelectrics with mesoscopic heterogeneity: Mean-field theory
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}
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
NASA Astrophysics Data System (ADS)
Diallo, S. O.; Vlcek, L.; Mamontov, E.; Keum, J. K.; Chen, Jihua; Hayes, J. S.; Chialvo, A. A.
2015-02-01
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. 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 <τ > 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 ) .
Diallo, S O; Vlcek, L; Mamontov, E; Keum, J K; Chen, Jihua; Hayes, J S; Chialvo, A A
2015-02-01
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 (∼150K), leading to a metastable liquid state with remarkable physical properties. We have investigated the ambient pressure diffusive dynamics of water in microporous Kynol ACF-10 (average pore size ∼11.6Å, 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 〈τ〉 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≤0.9Å(-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). PMID:25768475
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).
NASA Astrophysics Data System (ADS)
Adam, C.; Naya, C.; Sanchez-Guillen, J.; Vazquez, R.; Wereszczynski, A.
2015-08-01
Using a solitonic model of nuclear matter, the Bogomol'nyi-Prasad-Sommerfield (BPS) Skyrme model, we compare neutron stars obtained in the full field theory, where gravitational backreaction is completely taken into account, with calculations in a mean-field approximation using the Tolman-Oppenheimer-Volkoff approach. In the latter case, a mean-field-theory equation of state is derived from the original BPS field theory. We show that in the full field theory, where the energy density is nonconstant even at equilibrium, there is no universal and coordinate-independent equation of state of nuclear matter, in contrast to the mean-field approximation. We also study how neutron star properties are modified by going beyond mean-field theory and find that the differences between mean-field theory and exact results can be considerable. Further, we compare both exact and mean-field results with some theoretical and phenomenological constraints on neutron star properties, demonstrating thus the relevance of our model even in its most simple version.
Thermally activated post-glitch response of the neutron star inner crust and core. I. Theory
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.
Burankova, Tatsiana; Hempelmann, Rolf; Fossog, Verlaine; Ollivier, Jacques; Seydel, Tilo; Embs, Jan P
2015-08-20
Quasielastic neutron scattering (QENS) in combination with deuterium labeling allows for studying protonated "highlighted" species and extracting detailed information about tangled stochastic processes. This approach has been applied to examine proton dynamics in the protic ionic liquid, triethylammonium triflate. The temperature range covered during the experiments (2-440 K) included two melting transitions correspondingly reflected in the global and localized dynamics of the cation. To focus on the dynamics of the acidic proton, QENS spectra of the sample with the deuterated alkyl side chains were analyzed. The remaining hydrogen atom served as a tagged particle for investigating both global long-range motion of the cation and specific dynamics of the proton and, thus, provided insight into the transport properties of triethylammonium triflate, which is important for designing electrochemical devices. PMID:26207379
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.
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.
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.…
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…
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…
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…
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…
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…
Li, Zhigang; Wang, Hai
2003-12-01
The transport of small particles in the free-molecule regime is investigated on the basis of gas kinetic theory. Drag force formulations were derived in two limiting collision models-namely, specular and diffuse scattering-by considering the potential force of interactions between the particle and fluid molecules. A parametrized drag coefficient equation is proposed and accounts for the transition from specular to diffuse scattering as particle size exceeds a critical value. The resulting formulations are shown to be consistent with the Chapman-Enskog theory of molecular diffusion. In the limit of rigid-body interactions, these formulations can be simplified also to Epstein's solutions [P. S. Epstein, Phys. Rev. 23, 710 (1924)]. PMID:14754191
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
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.
U{sub N} Method For The Critical Slab Problem In One-Speed Neutron Transport Theory
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.
THE HALO MASS FUNCTION FROM EXCURSION SET THEORY. II. THE DIFFUSING BARRIER
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
NASA Astrophysics Data System (ADS)
Hensel, W.; Hoinkis, E.
1995-09-01
The 137Cs core release rate of High Temperature Reactors (HTR) is effected by the interactions of cesium with the graphitic material used as a matrix for the coated fuel particles. The migration of 137Cs in the graphitic matrix A3-3 at a fast neutron flux of 2 × 10 17 m -2 s -1 was studied in short-term experiments using the thin-film technique. The penetration profiles did not satisfy Fick's second law. The diffusion/trapping/re-emission model was applied to determine the diffusion coefficient D and the trapping coefficient μ for four profiles produced at 1088 and 1166 K. D, μ and the reemission coefficient b at 1293 K were determined for two profiles. Compared to laboratory conditions no effect of the fast neutron irradiation on the 137Cs migration in matrix A3-3 was observed.
De Raedt, C.M.; Ruan, D.
1994-12-31
The novel code TRANSFUSION is being developed with a view to analysing borehole logs in the field of oil exploration and production. TRANSFUSION describes the time-dependent neutron and gamma populations in the logging tool and the surrounding formation resulting from bursts of high energy neutrons by providing first-order solutions to the Boltzmann transport equation. In particular, the gamma responses in the near and the far detectors housed in the logging tool are calculated. TRANSFUSION was developed from the ANSWERS steady-state (three-dimensional) finite-element neutron and gamma diffusion code FENDER by extending it to become time-dependent. The code is an attractive alternative to the generally used rigorous Monte Carlo methods, being as user friendly but less time-consuming while remaining sufficiently accurate.
ERIC Educational Resources Information Center
Stewart, David W.
A review of the general literature on diffusion, innovation, and social change is worthwhile as a basis for developing more effective methods for facilitating the adoption of computer-based technologies. Much of the research on diffusion has focused on (1) characteristics of the innovation which influence the diffusion process, (2) a description…
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.
Mirigian, Stephen; Schweizer, Kenneth S
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. PMID:26723700
NASA Astrophysics Data System (ADS)
Mirigian, Stephen; Schweizer, Kenneth S.
2015-12-01
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.
Douglas S. Crawford; Terry A. Ring
2012-12-01
The energy dependent neutron diffusion equation (EDNDE) is converted into a moment equation which is solved analytically for the 1-D problem of a bare sphere of pure 235U. The normalized moments 0–5 generated analytically are compared to normalized energy moments, from Monte Carlo N Particle 5 version 1.40 (MCNP5) and Attila-7.1.0-beta version (Attila). The analytic normalized neutron energy moments, fall between the results from MCNP5 (lower bound) and Attila (upper bound) and are accurate compared to MCNP5 neutron energy moments when error in this Monte Carlo simulation are considered. The error range is from 0% to 14%. The Attila moments are less accurate when compared to MCNP5 than the analytical moments derived in this work. The method of moments is shown to be a fast reliable method, compared to either Monte Carlo methods (MCNP5) or 30 multi-energy group methods (Attila).
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
NASA Astrophysics Data System (ADS)
Nuttin, A.; Capellan, N.; David, S.; Doligez, X.; El Mhari, C.; Méplan, O.
2014-06-01
Safety analysis of innovative reactor designs requires three dimensional modeling to ensure a sufficiently realistic description, starting from steady state. Actual Monte Carlo (MC) neutron transport codes are suitable candidates to simulate large complex geometries, with eventual innovative fuel. But if local values such as power densities over small regions are needed, reliable results get more difficult to obtain within an acceptable computation time. In this scope, NEA has proposed a performance test of full PWR core calculations based on Monte Carlo neutron transport, which we have used to define an optimal detail level for convergence of steady state coupled neutronics. Coupling between MCNP for neutronics and the subchannel code COBRA for thermal-hydraulics has been performed using the C++ tool MURE, developed for about ten years at LPSC and IPNO. In parallel with this study and within the same MURE framework, a simplified code of nodal kinetics based on two-group and few-point diffusion equations has been developed and validated on a typical CANDU LOCA. Methods for the computation of necessary diffusion data have been defined and applied to NU (Nat. U) and Th fuel CANDU after assembly evolutions by MURE. Simplicity of CANDU LOCA model has made possible a comparison of these two fuel behaviours during such a transient.
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.
Absorption and diffusion of hydrogen in palladium-silver alloys by density functional theory
NASA Astrophysics Data System (ADS)
Ke, Xuezhi; Kramer, Gert Jan
2002-11-01
The vibrational states, absorption energies, and diffusions of H in Pd and Pd1-xAgx(0<~x<~1) have been studied by first-principle calculations. All results compare favorably to experiment. The zero-point motion of H is important in the determination of the H site occupation, in the estimation of the diffusion barrier, and in the explanation of the reversed isotope effect. The interesting anomalous isotope effect is explored, and a diffusion mechanism is proposed for tritium. The preferred diffusion paths of H in Pd and Pd1-xAgx are “indirect” paths. According to the absorption energies and diffusion barriers, H diffusion in Pd-Ag alloys should avoid the Ag-rich areas.
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
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.
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.
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…
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…
Diffusion and association processes in biological systems: theory, computation and experiment
2011-01-01
Macromolecular diffusion plays a fundamental role in biological processes. Here, we give an overview of recent methodological advances and some of the challenges for understanding how molecular diffusional properties influence biological function that were highlighted at a recent workshop, BDBDB2, the second Biological Diffusion and Brownian Dynamics Brainstorm. PMID:21595997
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.
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)
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
Comparing isopycnal eddy diffusivities in the Southern Ocean with predictions from linear theory
NASA Astrophysics Data System (ADS)
Griesel, Alexa; Eden, Carsten; Koopmann, Nikolaus; Yulaeva, Elena
2015-10-01
We show that the potential vorticity diffusivity predicted by linear stability analysis (LSA), is the same as a linearized version of Lagrangian cross-stream isopycnal diffusivity. Both can be written in terms of the same expression - the product of the eddy kinetic energy (EKE) and the integral time scale that involves the Lagrangian decay scale γ or the growth rate ωi of the most unstable wave, and a frequency that is related to the difference of the mean flow speed and real part of the phase speed of the unstable waves. Diffusivities from LSA are compared to Lagrangian isopycnal eddy diffusivities estimated from more than 700,000 numerical particles in the Southern Ocean of an eddying model. They show different spatial dependency. LSA predicts eddy diffusivities that are enhanced at the steering level where the mean flow speed equals the phase speed of the unstable waves. In contrast, Lagrangian diffusivities exhibit no clear steering level maxima, but are instead surface intensified in many places. The differences between the Lagrangian and diffusivities from LSA can be understood because EKE predicted from LSA differs from the simulated one, and because the estimated decay scale γ is on average about 4 times larger than the largest linear growth rate. The diagnosed Lagrangian integral time scale has maxima at the depth where the mean flow speed equals the phase speed of the most unstable wave, but the diffusivity maxima are shifted towards the surface because the simulated EKE decreases rapidly with depth. Possibilities for a simple parameterization for the diffusivity are discussed.
Bates, F.S.; Koehler, W.C.; Wignall, G.D.; Fetters, L.J.
1986-12-01
A well characterized binary mixture of normal (protonated) and perdeuterated monodisperse 1,2 polybutenes has been studied by small-angle neutron scattering (SANS). For scattering wavevectors q greater than the inverse radius-of-gyration R/sub g//sup -1/, the SANS intensity is quantitatively predicted by the random phase approximation (RPA) theory of deGennes over all measured values of the segment-segment interaction parameter Chi. In the region (Chi s-Chi)Chi s/sup -1/ > 0.5 the interaction parameter determined using the RPA theory for q > R/sub g//sup -1/ is greater than that calculated from the zero-angle intensity based on an Ornstein-Zernike plot, where Chi s represents the limit of single phase stability. These findings indicate a correlation between the critical fluctuation length xi and R/sub g/ which is not accounted for by the RPA theory.
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
Hirvonen, J; Murtomäki, L; Kontturi, K
1998-12-01
Equations expressing the effect of the diffusion potential on the trace ion transfer across a porous charged membrane have been derived. These equations have been tested with experiments with human cadaver skin. The transfer of sotalol and salicylate was measured varying the salt (NaCl) concentration in the donor and receiver compartments. It appears that osmotic pressure and ion-exchange make a significant contribution to the flux enhancement by the diffusion potential. PMID:9801427
Data From HANE-Generated Radiation Belts and the Origin of Diffusion Theory
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.
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
Three-dimensional water diffusion in impermeable cylindrical tubes: theory versus experiments.
Avram, Liat; Ozarslan, Evren; Assaf, Yaniv; Bar-Shir, Amnon; Cohen, Yoram; Basser, Peter J
2008-10-01
Characterizing diffusion of gases and liquids within pores is important in understanding numerous transport processes and affects a wide range of practical applications. Previous measurements of the pulsed gradient stimulated echo (PGSTE) signal attenuation, E(q), of water within nerves and impermeable cylindrical microcapillary tubes showed it to be exquisitely sensitive to the orientation of the applied wave vector, q, with respect to the tube axis in the high-q regime. Here, we provide a simple three-dimensional model to explain this angular dependence by decomposing the average propagator, which describes the net displacement of water molecules, into components parallel and perpendicular to the tube wall, in which axial diffusion is free and radial diffusion is restricted. The model faithfully predicts the experimental data, not only the observed diffraction peaks in E(q) when the diffusion gradients are approximately normal to the tube wall, but their sudden disappearance when the gradient orientation possesses a small axial component. The model also successfully predicts the dependence of E(q) on gradient pulse duration and on gradient strength as well as tube inner diameter. To account for the deviation from the narrow pulse approximation in the PGSTE sequence, we use Callaghan's matrix operator framework, which this study validates experimentally for the first time. We also show how to combine average propagators derived for classical one-dimensional and two-dimensional models of restricted diffusion (e.g. between plates, within cylinders) to construct composite three-dimensional models of diffusion in complex media containing pores (e.g. rectangular prisms and/or capped cylinders) having a distribution of orientations, sizes, and aspect ratios. This three-dimensional modeling framework should aid in describing diffusion in numerous biological systems and in a myriad of materials sciences applications. PMID:18574856
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.
Theory and simulation of time-fractional fluid diffusion in porous media
NASA Astrophysics Data System (ADS)
Carcione, José M.; Sanchez-Sesma, Francisco J.; Luzón, Francisco; Perez Gavilán, Juan J.
2013-08-01
We simulate a fluid flow in inhomogeneous anisotropic porous media using a time-fractional diffusion equation and the staggered Fourier pseudospectral method to compute the spatial derivatives. A fractional derivative of the order of 0 < ν < 2 replaces the first-order time derivative in the classical diffusion equation. It implies a time-dependent permeability tensor having a power-law time dependence, which describes memory effects and accounts for anomalous diffusion. We provide a complete analysis of the physics based on plane waves. The concepts of phase, group and energy velocities are analyzed to describe the location of the diffusion front, and the attenuation and quality factors are obtained to quantify the amplitude decay. We also obtain the frequency-domain Green function. The time derivative is computed with the Grünwald-Letnikov summation, which is a finite-difference generalization of the standard finite-difference operator to derivatives of fractional order. The results match the analytical solution obtained from the Green function. An example of the pressure field generated by a fluid injection in a heterogeneous sandstone illustrates the performance of the algorithm for different values of ν. The calculation requires storing the whole pressure field in the computer memory since anomalous diffusion ‘recalls the past’.
James, R.B.; Geist, G.A.; Young, R.T.; Christie, W.H.; Greulich, F.A.
1987-10-01
The high-temperature diffusion of phosphorus into crystalline silicon causes the formation of electrically inactive phosphorus-rich precipitates near the surface. These precipitates decrease the carrier lifetime and mobility in the diffused layer, and thus lead to less than optimal diode characteristics of electrical junctions formed by diffusion of phosphorus into a p-type substrate. We show that the free-carrier absorption of a CO/sub 2/ laser pulse can be used to completely dissolve the precipitates and remove dislocations in the diffused layer. Furthermore, we find that there are distinct advantages in depositing the pulse energy by way of free-carrier transitions, since the energy can be preferentially deposited in either confined doped layers or diffusion wells that are surrounded by lightly doped material. Our transmission electron microscopy results show that the annealing of the extended lattice defects is caused by melting of the near-surface region and subsequent liquid-phase epitaxial regrowth. Van der Pauw measurements are used to study the carrier concentration, mobility, and sheet resistivity of the samples before and after laser irradiation. The results of the electrical measurements show that there is a large increase in the carrier concentrations and a corresponding drop in the sheet resistivities of the laser irradiated samples. Using a Fourier transform
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.
Xu, Haixuan; Lee, Donghwa; Sinnott, Susan B; Dierolf, Volkmar; Gopalan, Venkatraman; Phillpot, Simon R
2010-04-01
Organized defect clusters in non-stoichiometric LiNbO₃ are known to dominate macroscale ferroelectric properties; yet the detailed nature of these defects is currently unknown. Here, the relative stabilities of various defect cluster arrangements of lithium vacancies around a niobium antisite in LiNbO₃ are determined using density functional theory combined with thermodynamic calculations. Their effects on the ferroelectricity of the system are also discussed. It is found that at room temperature the non-uniaxial dipole moments associated with the defect clusters could affect the properties of the system locally. The diffusion mechanism is predicted to be through first nearest neighbor jumps on the Li sublattice. The diffusivity of the lithium vacancy is found to be extremely low at room temperature, which indicates that the defect complexes should be rather stable. PMID:21389505
NASA Astrophysics Data System (ADS)
Stopper, Daniel; Marolt, Kevin; Roth, Roland; Hansen-Goos, Hendrik
2015-08-01
We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self- and distinct parts of the van Hove function by means of dynamical density functional theory. The free-energy model for the hard-sphere fluid that we use is the very accurate White Bear II version of Rosenfeld's fundamental measure theory. However, in order to remove interactions within the self-part of the van Hove function, a nontrivial modification has to be applied to the free-energy functional. We compare our theoretical results with data that we obtain from dynamical Monte Carlo simulations, and we find that the latter are well described by our approach even for colloid packing fractions as large as 40%.
Stopper, Daniel; Marolt, Kevin; Roth, Roland; Hansen-Goos, Hendrik
2015-08-01
We study the dynamics of colloidal suspensions of hard spheres that are subject to Brownian motion in the overdamped limit. We obtain the time evolution of the self- and distinct parts of the van Hove function by means of dynamical density functional theory. The free-energy model for the hard-sphere fluid that we use is the very accurate White Bear II version of Rosenfeld's fundamental measure theory. However, in order to remove interactions within the self-part of the van Hove function, a nontrivial modification has to be applied to the free-energy functional. We compare our theoretical results with data that we obtain from dynamical Monte Carlo simulations, and we find that the latter are well described by our approach even for colloid packing fractions as large as 40%. PMID:26382387
PHISICS multi-group transport neutronic capabilities for RELAP5
Epiney, A.; Rabiti, C.; Alfonsi, A.; Wang, Y.; Cogliati, J.; Strydom, G.
2012-07-01
PHISICS is a neutronic code system currently under development at INL. Its goal is to provide state of the art simulation capability to reactor designers. This paper reports on the effort of coupling this package to the thermal hydraulic system code RELAP5. This will enable full prismatic core and system modeling and the possibility to model coupled (thermal-hydraulics and neutronics) problems with more options for 3D neutron kinetics, compared to the existing diffusion theory neutron kinetics module in RELAP5 (NESTLE). The paper describes the capabilities of the coupling and illustrates them with a set of sample problems. (authors)
Salles, Fabrice; Jobic, Hervé; Devic, Thomas; Llewellyn, Philip L; Serre, Christian; Férey, Gérard; Maurin, Guillaume
2010-01-26
Quasi-elastic neutron scattering measurements are combined with molecular dynamics simulations to determine the self-diffusivity, corrected diffusivity, and transport diffusivity of CO(2) in the metal-organic framework MIL-47(V) (MIL = Materials Institut Lavoisier) over a wide range of loading. The force field used for describing the host/guest interactions is first validated on the thermodynamics of the MIL-47(V)/CO(2) system, prior to being transferred to the investigations of the dynamics. A decreasing profile is then deduced for D(s) and D(o) whereas D(t) presents a non monotonous evolution with a slight decrease at low loading followed by a sharp increase at higher loading. Such decrease of D(t) which has never been evidenced in any microporous systems comes from the atypical evolution of the thermodynamic correction factor that reaches values below 1 at low loading. This implies that, due to intermolecular interactions, the CO(2) molecules in MIL-47(V) do not behave like an ideal gas. Further, molecular simulations enabled us to elucidate unambiguously a 3D diffusion mechanism within the pores of MIL-47(V). PMID:19957953
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.
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.
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
Density Functional Theory Investigation of Proton Diffusion in Tungsten Oxide And Its Hydrates
NASA Astrophysics Data System (ADS)
Lin, Hao
Fast proton conduction mechanism is of key importance for achieving high performance in fuel cell membranes, batteries, supercapacitors, and electrochromic materials. Enhanced proton diffusion is often observed in hydrated materials where it is thought to occur via the famous Grotthuss mechanism through pathways formed by structural water. Using first-principles calculations, we demonstrate that proton diffusion in tungsten oxide dihydrate (WO3·2H 2O), a known good proton conductor, takes place within the layers of corner-sharing WO6 octahedra without direct involvement of structural water. The calculated proton migration barrier in WO3·2H 2O is in good agreement with the experimental value inferred from the temperature dependence of conductivity. The preferred proton diffusion path in WO3·2H2O is essentially the same as in gamma-WO 3. In contrast to the small intercalation voltages calculated for WO 3 and WO3·2H2O, we find that proton absorption in the monohydrate WO3·H2O is energetically highly favorable. However, strong proton-proton repulsion limits the equilibrium H content at zero voltage. We find a fast one-dimensional diffusion channel in WO3·H2O at dilute proton concentrations, but much higher barriers are expected at near-equilibrium concentrations due to strong repulsive interactions with other protons. Our results illustrate that low proton diffusion barriers and low insertion voltages both contribute to fast proton transport in bulk WO3·2H2O and gamma-WO 3.
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.
NASA Technical Reports Server (NTRS)
Fieno, D.
1972-01-01
Perturbation theory for fixed sources was applied to radiation shielding problems to determine changes in neutron and gamma ray doses due to changes in various shield layers. For a given source and detector position, the perturbation method enables dose derivatives due to all layer changes to be determined from one forward and one inhomogeneous adjoint calculation. The direct approach requires two forward calculations for the derivative due to a single layer change. Hence, the perturbation method for a obtaining dose derivatives permits an appreciable savings in computation for a multilayered shield. A comparison was made of the fractional change in the dose per unit change in shield layer thickness as calculated by perturbation theory and by successive direct calculations; excellent agreement was obtained between the two methods.
NASA Technical Reports Server (NTRS)
Fieno, D.
1972-01-01
The perturbation theory for fixed sources was applied to radiation shielding problems to determine changes in neutron and gamma ray doses due to changes in various shield layers. For a given source and detector position the perturbation method enables dose derivatives due to all layer changes to be determined from one forward and one inhomogeneous adjoint calculation. The direct approach requires two forward calculations for the derivative due to a single layer change. Hence, the perturbation method for obtaining dose derivatives permits an appreciable savings in computation for a multilayered shield. 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 as calculated by perturbation theory and by successive direct calculations; excellent agreement was obtained between the two methods.
NASA Astrophysics Data System (ADS)
Ghanbarian, Behzad; Cheng, Ping
2016-03-01
Percolation theory is used to model intrinsic and relative permeabilities as well as tortuosity in anisotropic carbon paper gas diffusion layers (GDL) and compared with existing results from lattice-Boltzmann (LB) simulations and experimental measurements. Although single- and two-phase characteristics of the carbon paper GDL are mainly affected by medium geometrical and topological properties, e.g., pore-size distribution, connectivity, and pore geometry, analyzing capillary pressure curves implies that the pore-size distribution of the carbon paper GDL is very narrow. This suggests that its effect on tortuosity and wetting- and nonwetting-phase relative permeabilities is trivial. However, integrated effects of pore geometry, surface area, connectivity, and tortuosity on intrinsic permeability might be substantial. Universal power laws from percolation theory predict the tortuosity-porosity and relative permeability-saturation curves accurately, indicating both characteristics not affected by the pore-size distribution. The permeability-porosity relationship, however, conforms to nonuniversality.
NASA Astrophysics Data System (ADS)
Edelmann, Heinz
2003-06-01
This thesis deals with quantitative spectroscopic analyses of large samples of subluminous B stars in order to find constraints the theory of stellar evolution, pulsation, and diffusion. Subluminous B stars, also known as subdwarf B (sdB) stars, are very important in several respects: They dominate the population of faint blue stars in high galactic latitudes, and are found both in the field and in globular clusters. Therefore, sdB stars are important to understand the structure and evolution of our galaxy. From the cosmological point of view, they are candidate progenitors of supernovae of type Ia due to their membership in close binary systems. In the context of stellar astrophysics, subdwarf B stars play an important role because several of them are discovered to show non-radial pulsations, which allows to probe their interior by asteroseismology. Last but not least, sdB stars show very peculiar element abundance patterns, probably caused by diffusion processes. Subluminous B stars are generally considered to be core helium-burning stars with extremely thin hydrogen envelopes (< 0.02M) and masses around 0.5M. In the Hertzsprung-Russell diagram they populate a very narrow area which lies on a blue-ward extension of the horizontal branch (HB), the so called "Extreme Horizontal Branch" (EHB). Due to their thin hydrogen-rich envelope, they cannot sustain a hydrogen-burning shell. This means that the sdB stars cannot ascend the asymptotic giant branch after the end of the helium-core burning, but should evolve directly to the white dwarf graveyard. However, according to standard stellar evolution theory, subdwarf B stars should not exist. Their evolution is still unclear and several scenarios are under debate. For all these investigations, knowledge of the stellar parameters (effective temperature, gravity and chemical composition) is very important to verify or discard theoretical models and predictions. Numerous observing runs have been performed mostly by myself
A nonlinear theory of cosmic ray pitch angle diffusion in homogeneous magnetostatic turbulence
NASA Technical Reports Server (NTRS)
Goldstein, M. L.
1975-01-01
A plasma strong turbulence, weak coupling, theory is applied to the problem of cosmic ray pitch angle scattering in magnetostatic turbulence. The theory used is a rigorous generalization of Weinstock's resonance-broadening theory and contains no ad hoc approximations. A detailed calculation is presented for a model of slab turbulence with an exponential correlation function. The results agree well with numerical simulations. The rigidity dependence of the pitch angle scattering coefficient differs from that found by previous researchers. The differences result from an inadequate treatment of particle trajectories near 90 deg pitch angle in earlier work.
A/sub n/ method in monokinetic neutron transport theory: Convergence and numerical applications
Coppa, G.; Ravetto, P.; Sumini, M.
1981-10-01
The convergence of the approximate method, referred to as A/sub n/, to study the solution of the monokinetic transport equation is fully investigated, when it is applied to the description of the neutron population in both infinite and finite media.
Douglas S. Crawford; Terry A. Ring
2012-12-01
Normalized neutron energy moments (moments) from the one-dimensional energy dependent neutron diffusion equation (EDNDE), Monte Carlo N Particle 5 version 1.40 (MCNP5) and Attila-7.1.0-beta version (Attila) are validated with the GODIVA experiment (GODIVA). Energy moments 0–5 for all three methods are compared to GODIVA moments. GODIVA moments are measured with two methods. The 1st method is a time of flight (T-O-F) measurement of the average energy (moment 1) of the leaking neutrons from the surface of GODIVA and the 2nd method is from back calculating moments from foil activation analysis of various metal foils at the center of GODIVA. The error range of the EDNDE normalized moments compared to GODIVA is from 0% to 24%. The MCNP5 error range compared to GODIVA is 0–12% and the Attila error range is 0–79%. The method of moments is shown to be a fast reliable method, compared to either Monte Carlo methods (MCNP5) or 30 multi-energy group methods (Attila) with regard to the GODIVA experiment.
NASA Astrophysics Data System (ADS)
Vasconcellos, C. A. Zen
2015-12-01
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-, Σ0, Σ+, Λ, Ξ-, Ξ0) 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, ɸ), vector-isovector (ϱ) and scalar-isovector (δ) virtual sectors. Following recent experimental results, we consider in our calculations the extreme case where the Σ- 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.
Diffusion theory of Brownian particles moving at constant speed in D dimensions
NASA Astrophysics Data System (ADS)
Sevilla, Francisco J.
2015-03-01
The propagation of Brownian-active particles that move at constant speed in the limit of short times, differs from wave-like propagation in that active particles propagate without leaving a wake trailing characteristic of wave propagation in even dimensions. In the long time regime, normal diffusion is expected due to random fluctuations that disperse the particle direction of motion. A phenomenological equation that describe the transition from the behavior free of effects of wake, to the normal diffusion of the particles is proposed. A comparison of the results predicted by such equation with those obtained from models using Langevin equations is presented in the spherically symmetric case. FJS acknowledges support from PAPIIT-UNAM through the Grant IN113114.
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.
Guenza, M.; Tang, H.; Schweizer, K.S.
1998-01-01
A microscopic theory of self-diffusion in diblock copolymer melts and solutions has been developed based on polymeric mode-coupling methods formulated at the level of the time and space correlated interchain excluded volume and chi-parameter forces. Equilibrium structural correlations are determined via microscopic liquid state integral equation or coarse-grained field theoretic methods. The specific dynamical consequences of self-assembly are predicted to depend rather sensitively on temperature, degree of polymerization, copolymer composition and concentration, and local block friction coefficients. The dominant physical effect for entangled diblocks is the retardation of the relaxation time of the interchain excluded volume forces due to the thermodynamically-driven segregation of blocks into microdomains, resulting in suppression of translational motion. Analytic analysis in the long chain limit allows the derivation of new scaling laws relating the self-diffusion constant and chain degree of polymerization and solution concentration. Potential limitations for real copolymer materials associated with the structurally and dynamically isotropic description adopted by the theory are discussed. {copyright} {ital 1998 American Institute of Physics.}
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
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.
NASA Astrophysics Data System (ADS)
Batistić, Benjamin; Robnik, Marko
2011-09-01
We study aspects of the Fermi acceleration (the unbounded growth of the energy) in a certain class of time-dependent 2D billiards. Specifically, we look at the conformally breathing billiards (periodic oscillation of the boundary which preserves the shape of the billiard at all times), which are fully chaotic as static (frozen) billiards, and we show that for large velocities around v0 and for not too long times, we observe just normal diffusion of the velocity as a function of the physical (continuous) time, around v0. However, the diffusion is not homogeneous, as the diffusion constant D depends on v0 as a power law D∝1/v30. Taking this into account, we show that to the leading order the average velocity v(n) as a function of the number of collisions n obeys a power law v∝n1/6 thus, the Fermi acceleration exponent is β = 1/6, which is in excellent agreement with the numerical calculations of the fully chaotic oval billiard, the Sinai billiard and the cardioid billiard. The error of the velocity estimates is of the order 1/v2. Thus, the higher the velocity, the better our analytic approximation. Moreover, we derive the underlying universal equation of the velocity dynamics of the time-dependent conformally breathing billiards, correct up to and including the order 1/v in the regime of the large velocity of the particle v. This universal equation does not depend on the dynamical properties of the system (integrability, ergodicity, chaoticity). We present the results of the numerical simulations for three billiards in complete agreement with the theory. We believe that this is a first step towards theoretical understanding of the power law growth and the Fermi acceleration exponents in 2D billiards, although our theory is so far specialized to the conformally breathing fully chaotic billiards.
Introduction to theory and analysis of resolved (and unresolved) neutron resonances via SAMMY
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.
Introduction to the Theory and Analysis of Resolved (and Unresolved) Neutron Resonances via SAMMY
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.
Introduction to the theory and analysis of resolved (and unresolved) neutron resonances via SAMMY
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.
Desmet, Gert; Deridder, Sander
2011-01-01
Using the permeability analogue of the diffusion and partitioning processes occurring in a chromatographic column, the different Effective Medium Theory (EMT) models that exist in literature for the electrical and thermal conductivity have been transformed into expressions that accurately predict the B-term band broadening in chromatographic columns. The expressions are written in such a form that they hold for both fully porous and porous-shell particles, and both spherical and cylindrical particles are considered. Mutually comparing the established EMT-expressions, it has been found that the most basic variant, i.e., the Maxwell-based expression, is already accurate to within 5% for the typical conditions encountered in liquid phase chromatography, independently of the exact microscopic morphology of the packing. For most typical values of the intra-particle diffusion rate and the species retention factors, it is even accurate to within 1%. If even higher accuracies are needed, more elaborate EMT-expressions are available. The modelling accuracy of all explicit EMT-expressions is much better than the residence time weighted (RTW) B-term expressions that have been used up to now in the field of chromatography, where the error is typically on the order of 10% and more. The EMT-models have also been used to establish expressions for the obstruction and tortuosity factor in packings of non-porous particles. The EMT has also been applied to the meso-porous zone only, yielding an expression for the intra-particle diffusion coefficient that can be used without having to specify any obstruction factor. It has also been shown that the EMT also provides a very simple but exact expression to represent the way in which the solid core obstructs the effective intra-particle diffusion in the case of porous-shell particles. This obstruction factor is given by γ(part)=2/(2+ρ³) for spherical particles and γ(part)=1/(1+ρ³) for cylinders. Back-transforming the obtained
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.
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. PMID:25971732
Chern-Simons number diffusion in (1+1)-dimensional Higgs theory
Forcrand, P.d.; Krasnitz, A. ); Potting, R. )
1994-11-15
We study the Chern-Simons number diffusion rate in the (1+1)-dimensional lattice Abelian Higgs model at temperatures much higher than, as well as comparable to, the sphaleron energy. It is found that in the high-temperature limit the rate is likely to grow as a power of 2/3 of the temperature. In the intermediate-temperature regime, our numerical simulations show that the very weak temperature dependence of the rate, found in previous work, persists at smaller lattice spacings. We discuss possibilities of relating the observed behavior of the rate to static finite-temperature properties of the model.
Neutron removal cross section as a measure of neutron skin
Fang, D. Q.; Ma, Y. G.; Cai, X. Z.; Tian, W. D.; Wang, H. W.
2010-04-15
We study the relation between neutron removal cross section (sigma{sub -N}) and neutron skin thickness for finite neutron-rich nuclei using the statistical abrasion ablation model. Different sizes of neutron skin are obtained by adjusting the diffuseness parameter of neutrons in the Fermi distribution. It is demonstrated that there is a good linear correlation between sigma{sub -N} and the neutron skin thickness for neutron-rich nuclei. Further analysis suggests that the relative increase of neutron removal cross section could be used as a quantitative measure for neutron skin thickness in neutron-rich nuclei.
ERIC Educational Resources Information Center
Silver, Wayne
A description of the communication behaviors in high innovation societies depends on the application of selected principles from modern systems theory. The first is the principle of equifinality which explains the activities of open systems. If the researcher views society as an open system, he frees himself from the client approach since society…
ERIC Educational Resources Information Center
Berry, Brian J. L.
An examination of geographic theories of social change clarifies how and why Torsten Haagerstrand's ideas have revolutionized geographic thinking, particularly regarding educational change and development, and provides the background for analyzing his models in detail. Haagerstrand developed the first formal geoqraphic model of diffusion…
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.
Crease surfaces: from theory to extraction and application to diffusion tensor MRI.
Schultz, Thomas; Theisel, Holger; Seidel, Hans-Peter
2010-01-01
Crease surfaces are two-dimensional manifolds along which a scalar field assumes a local maximum (ridge) or a local minimum (valley) in a constrained space. Unlike isosurfaces, they are able to capture extremal structures in the data. Creases have a long tradition in image processing and computer vision, and have recently become a popular tool for visualization. When extracting crease surfaces, degeneracies of the Hessian (i.e., lines along which two eigenvalues are equal) have so far been ignored. We show that these loci, however, have two important consequences for the topology of crease surfaces: First, creases are bounded not only by a side constraint on eigenvalue sign, but also by Hessian degeneracies. Second, crease surfaces are not, in general, orientable. We describe an efficient algorithm for the extraction of crease surfaces which takes these insights into account and demonstrate that it produces more accurate results than previous approaches. Finally, we show that diffusion tensor magnetic resonance imaging (DT-MRI) stream surfaces, which were previously used for the analysis of planar regions in diffusion tensor MRI data, are mathematically ill-defined. As an example application of our method, creases in a measure of planarity are presented as a viable substitute. PMID:19910665
Theory of diffusion of active particles that move at constant speed in two dimensions.
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. PMID:25215711
A kinetic theory of diffusion in general relativity with cosmological scalar field
Calogero, Simone
2011-11-01
A new model to describe the dynamics of particles undergoing diffusion in general relativity is proposed. The evolution of the particle system is described by a Fokker-Planck equation without friction on the tangent bundle of spacetime. It is shown that the energy-momentum tensor for this matter model is not divergence-free, which makes it inconsistent to couple the Fokker-Planck equation to the Einstein equations. This problem can be solved by postulating the existence of additional matter fields in spacetime or by modifying the Einstein equations. The case of a cosmological scalar field term added to the left hand side of the Einstein equations is studied in some details. For the simplest cosmological model, namely the flat Robertson-Walker spacetime, it is shown that, depending on the initial value of the cosmological scalar field, which can be identified with the present observed value of the cosmological constant, either unlimited expansion or the formation of a singularity in finite time will occur in the future. Future collapse into a singularity also takes place for a suitable small but positive present value of the cosmological constant, in contrast to the standard diffusion-free scenario.
Jing, Yun; Xiang, Ning
2008-01-01
This paper proposes a modified boundary condition to improve the room-acoustic prediction accuracy of a diffusion equation model. Previous boundary conditions for the diffusion equation model have certain limitations which restrict its application to a certain number of room types. The boundary condition employing the Sabine absorption coefficient [V. Valeau et al., J. Acoust. Soc. Am. 119, 1504-1513 (2006)] cannot predict the sound field well when the absorption coefficient is high, while the boundary condition employing the Eyring absorption coefficient [Y. Jing and N. Xiang, J. Acoust. Soc. Am. 121, 3284-3287 (2007); A. Billon et al., Appl. Acoust. 69, (2008)] has a singularity whenever any surface material has an absorption coefficient of 1.0. The modified boundary condition is derived based on an analogy between sound propagation and light propagation. Simulated and experimental data are compared to verify the modified boundary condition in terms of room-acoustic parameter prediction. The results of this comparison suggest that the modified boundary condition is valid for a range of absorption coefficient values and successfully eliminates the singularity problem. PMID:18177146
Iwata, Kazuyoshi
1992-05-14
The local knot (LK) theory is tested by computer simulations in parts 1 and 2. Here, theoretical problems of the simulations are mainly discussed. The probe fluctuation found in part 1 is studied theoretically, and a method for separating the Markov motion of a LK from its probe fluctuation is proposed. A detailed discussions on the mechanism of the probe fluctuation and the uncertainty principal are given. A modified expression of the diffusion coefficient of a LK is derived that cancels the interference of the probe fluctuations, and its numerical calculation is performed. A correction for short memory effects of LK motion is also done. The theoretical value of d{sub 0} thus computed is 0.0393 bond{sup 2}/u.t. (u.t. - unit time) which is comparable to its simulation value 0.0172 bond{sup 2}/u.t. obtained in part 1. Finally, it is concluded that the LK theory is proved by the results of parts 1 and 2 and, by this, a true molecular theory of entanglement has been first established. 13 refs., 7 figs., 1 tab.
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.
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.
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.
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.
Phenomenological theory of the dynamics of polymer melts. I. Analytic treatment of self-diffusion
NASA Astrophysics Data System (ADS)
Skolnick, Jeffrey; Yaris, Robert; Kolinski, Andrzej
1988-01-01
In the context of dynamic Monte Carlo (MC) simulations on dense collections of polymer chains confined to a cubic lattice, the nature of the dynamic entanglements giving rise to the degree of polymerization n, dependence of the self-diffusion constant D˜n-2 is examined. Consistent with our previous simulation results, which failed to find evidence for reptation as the dominant mechanism of polymer melt motion [J. Chem. Phys. 86, 1567, 7164, 7174 (1987)], long-lived dynamic entanglement contacts between pairs of segments belonging to different chains are extremely rare and are mobile with respect to the laboratory fixed frame. It is suggested that dynamic entanglements involve the dragging of one chain by another through the melt for times on the order of the terminal relaxation time of the end-to-end vector. Employing the physical description provided by the MC simulation, the general expression of Hess [Macromolecules 19, 1395 (1986)] for the friction constant increment experienced by a polymer due to the other polymers forms the basis of a phenomenological derivation of D˜n-2 for monodisperse melts that does not require the existence of reptation. Rather, such behavior is dependent on the relatively benign assumptions that the long distance global motions of the chains are uncorrelated, that the dynamic contacts can be truncated at the pair level, and that the propagator describing the evolution between dynamic contacts contains a free Rouse chain component. The mean distance between dynamic entanglements is predicted to depend inversely on concentration, in agreement with experiment. Moreover, as the free Rouse component is frozen out, for chains greater than an entanglement length ne, a molecular weight independent glass transition is predicted. Extension to bidisperse melts predicts that the probe diffusion coefficient Dp depends on the matrix degree of polymerization, nm, as n-1m. Finally, comparison is made between the theoretical expressions and MC
Curro, John G.; Frischknecht, Amalie Lucile
2005-01-01
Polymer reference interaction site model (PRISM) calculations and molecular dynamics (MD) simulations were carried out on poly(ethylene oxide) liquids using a force field of Smith, Jaffe, and Yoon. The intermolecular pair correlation functions and radius of gyration from theory were in very good agreement with MD simulations when the partial charges were turned off. When the charges were turned on, considerably more structure was seen in the intermolecular correlations obtained from MD simulation. Moreover, the radius of gyration increased by 38% due to electrostatic repulsions along the chain backbone. Because the partial charges greatly affect the structure, significant differences were seen between the PRISM calculations (without charges) and the wide angle neutron scattering measurements of Annis and coworkers for the total structure factor, and the hydrogen/hydrogen intermolecular correlation function. This is in contrast to previous PRISM calculations on poly (dimethyl siloxane).
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.
NASA Astrophysics Data System (ADS)
Ibata, Masakazu; Ohmi, Shun-ichiro; Ishiwara, Hiroshi
2012-03-01
The drain current vs gate voltage (ID-VG) and drain current vs drain voltage (ID-VD) characteristics of ferroelectric gate-all-around Si nanowire transistors are derived using the drift/diffusion transport theory. It is pointed out that the nonsaturated polarization in the ferroelectric film, which occurs near the drain region in the channel owing to the influence of the applied drain voltage, plays an important role in the calculation of the drain current as well as the polarization near the source region, and a graphical method using analytical expressions for the minor polarization hysteresis loops is presented to calculate the mobile charge density in the nanowire. By numerical analysis, the gate voltage range suitable for memory operation is determined in Si nanowire transistors with ferroelectric poly(vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] gate films.
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. PMID:26835785
2D/1D approximations to the 3D neutron transport equation. I: Theory
Kelley, B. W.; Larsen, E. W.
2013-07-01
A new class of '2D/1D' approximations is proposed for the 3D linear Boltzmann equation. These approximate equations preserve the exact transport physics in the radial directions x and y and diffusion physics in the axial direction z. Thus, the 2D/1D equations are more accurate approximations of the 3D Boltzmann equation than the conventional 3D diffusion equation. The 2D/1D equations can be systematically discretized, to yield accurate simulation methods for 3D reactor core problems. The resulting solutions will be more accurate than 3D diffusion solutions, and less expensive to generate than standard 3D transport solutions. In this paper, we (i) show that the simplest 2D/1D equation has certain desirable properties, (ii) systematically discretize this equation, and (iii) derive a stable iteration scheme for solving the discrete system of equations. In a companion paper [1], we give numerical results that confirm the theoretical predictions of accuracy and iterative stability. (authors)
NASA Astrophysics Data System (ADS)
Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman
2015-03-01
A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times—the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.
Energy Science and Technology Software Center (ESTSC)
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
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.
The role of fluid-wall interactions on confined liquid diffusion using Mori theory
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.
NASA Astrophysics Data System (ADS)
Li, Wu-Xiong; Keyes, T.
1999-09-01
The pure translation (TR) imaginary-frequency (or unstable) instantaneous normal modes (INM), which we have proposed as representative of barrier crossing and diffusion, are obtained for seven densities and eight temperatures of supercooled and near-melting liquid CS2 via computer simulation. The self-diffusion constant D, with a range of over two decades, has been determined previously for these 56 states [Li and Keyes, J. Chem. Phys. 111, 328 (1999)], allowing a comprehensive test of the relation of INM to diffusion. INM theory is reviewed and extended. At each density Arrhenius T-dependence is found for the fraction fu of unstable modes, for the product <ω>ufu of the fraction times the averaged unstable frequency, and for D. The T-dependence of D is captured very accurately by fu at higher densities and by <ω>ufu at lower densities. Since the T-dependence of <ω>u is weak at high density, the formula D∝<ω>ufu provides a good representation at all densities; it is derived for the case of low-friction barrier crossing. Density-dependent activation energies determined by Arrhenius fits to <ω>ufu are in excellent agreement with those found from D. Thus, activation energies may be obtained with INM, requiring far less computational effort than an accurate simulation of D in supercooled liquids. Im-ω densities of states, <ρuTR(ω,T)>, are fit to the function a(T)ω exp[-(a2(T)ω/√T )a3(T)]. The strong T-dependence of D, absent in Lennard-Jones (LJ) liquids, arises from the multiplicative factor a(T); its activation energy is determined by the inflection-point energy on barriers to diffusion. Values of the exponent a3(T) somewhat greater than 2.0 suggest that liquid CS2 is nonfragile in the extended Angell-Kivelson scheme for the available states. A striking contrast is revealed between CS2 and LJ; a3→2 at low-T in CS2 and at high-T in LJ. The INM interpretation is that barrier height fluctuations in CS2 are negligible at low-T but grow with increasing T
Gas Breakdown, Low Current diffuse discharges, Townsend's theory: A Friday afternoon experiment
NASA Astrophysics Data System (ADS)
Petrovic, Zoran
2013-09-01
Numerous aspects of the ``standard model'' of gas breakdown have been addressed in the past 20 years by Art Phelps and his coworkers. First, his studies of excitation coefficients were carried out in the Townsend regime where electric field is quasi uniform so swarm like conditions prevail. These studies have been extended to very high E/N where non-hydrodynamic effects were to be observed but were overshadowed in most cases by fast neutral excitation. Absolute calibration of emission provided a basis to obtain fast neutral cross section sets. This work necessarily overlapped with the left hand side of the Paschen curve and in extension of an ill fated data gathering experiment a review was made of all the processes that contribute to the secondary electron emission. It was shown that, if one includes all the processes, it is possible to fit the available breakdown data, Paschen curves and effective electron yields by binary collision data obtained in separate experiments. While performing measurements in the low current diffuse (Townsend) regime one can find negative differential resistance and oscillations. Both were explained by taking detailed information on properties of particles close to the cathode and small perturbations to the local field by the growing space charge. Last but not the least Phelps managed, with his coworkers to provide a phenomenology and predictions of the anomalously broadened profiles often observed in various discharges. In all those cases deep knowledge of atomic and molecular physics and of gas discharges were combined with best available data to produce quantitative (quantitative, quantitative) agreement with experiments. Coworkers: Dragana Maric. Supported by MPNTR project ON171037 and SANU project 155.
Levitt, D G
1985-01-01
The solution for the ion flux through a membrane channel that incorporates the electrolyte nature of the aqueous solution is a difficult theoretical problem that, until now, has not been properly formulated. The difficulty arises from the complicated electrostatic problem presented by a high dielectric aqueous channel piercing a low dielectric lipid membrane. The problem is greatly simplified by assuming that the ratio of the dielectric constant of the water to that of the lipid is infinite. It is shown that this is a good approximation for most channels of biological interest. This assumption allows one to derive simple analytical expressions for the Born image potential and the potential from a fixed charge in the channel, and it leads to a differential equation for the potential from the background electrolyte. This leads to a rigorous solution for the ion flux or the equilibrium potential based on a combination of the Nernst-Planck equation and strong electrolyte theory (i.e., Gouy-Chapman or Debye-Huckel). This approach is illustrated by solving the system of equations for the specific case of a large channel containing fixed negative charges. The following characteristics of this channels are discussed: anion and mono- and divalent cation conductance, saturation of current with increasing concentration, current-voltage relationship, influence of location and valence of fixed charge, and interaction between ions. The qualitative behavior of this channel is similar to that of the acetylcholine receptor channel. PMID:2410048
NASA Astrophysics Data System (ADS)
Kramer, Patrick L.; Nishida, Jun; Giammanco, Chiara H.; Tamimi, Amr; Fayer, Michael D.
2015-05-01
In nearly all applications of ultrafast multidimensional infrared spectroscopy, the spectral degrees of freedom (e.g., transition frequency) and the orientation of the transition dipole are assumed to be decoupled. We present experimental results which confirm that frequency fluctuations can be caused by rotational motion and observed under appropriate conditions. A theory of the frequency-frequency correlation function (FFCF) observable under various polarization conditions is introduced, and model calculations are found to reproduce the qualitative trends in FFCF rates. The FFCF determined with polarization-selective two-dimensional infrared (2D IR) spectroscopy is a direct reporter of the frequency-rotational coupling. For the solute methanol in a room temperature ionic liquid, the FFCF of the hydroxyl (O-D) stretch decays due to spectral diffusion with different rates depending on the polarization of the excitation pulses. The 2D IR vibrational echo pulse sequence consists of three excitation pulses that generate the vibrational echo, a fourth pulse. A faster FFCF decay is observed when the first two excitation pulses are polarized perpendicular to the third pulse and the echo,
Kramer, Patrick L; Nishida, Jun; Giammanco, Chiara H; Tamimi, Amr; Fayer, Michael D
2015-05-14
In nearly all applications of ultrafast multidimensional infrared spectroscopy, the spectral degrees of freedom (e.g., transition frequency) and the orientation of the transition dipole are assumed to be decoupled. We present experimental results which confirm that frequency fluctuations can be caused by rotational motion and observed under appropriate conditions. A theory of the frequency-frequency correlation function (FFCF) observable under various polarization conditions is introduced, and model calculations are found to reproduce the qualitative trends in FFCF rates. The FFCF determined with polarization-selective two-dimensional infrared (2D IR) spectroscopy is a direct reporter of the frequency-rotational coupling. For the solute methanol in a room temperature ionic liquid, the FFCF of the hydroxyl (O-D) stretch decays due to spectral diffusion with different rates depending on the polarization of the excitation pulses. The 2D IR vibrational echo pulse sequence consists of three excitation pulses that generate the vibrational echo, a fourth pulse. A faster FFCF decay is observed when the first two excitation pulses are polarized perpendicular to the third pulse and the echo, 〈XXY Y〉, than in the standard all parallel configuration, 〈XXXX〉, in which all four pulses have the same polarization. The 2D IR experiment with polarizations 〈XY XY〉 ("polarization grating" configuration) gives a FFCF that decays even more slowly than in the 〈XXXX〉 configuration. Polarization-selective 2D IR spectra of bulk water do not exhibit polarization-dependent FFCF decays; spectral diffusion is effectively decoupled from reorientation in the water system. PMID:25978898
NASA Astrophysics Data System (ADS)
Fan, Chen; Zhou, Xing-Gui; Chen, De; Cheng, Hong-Ye; Zhu, Yi-An
2011-04-01
First-principles calculations have been performed to investigate CH4 dissociation and C diffusion during the Ni/Fe-catalyzed growth of carbon nanofibers (CNFs). Two bulk models with different Ni to Fe molar ratios (1:1 and 2:1) are constructed, and x-ray diffraction (XRD) simulations are conducted to evaluate their reliability. With the comparison between the calculated and experimental XRD patterns, these models are found to be well suited to reproduce the crystalline structures of Ni/Fe bulk alloys. The calculations indicate the binding of the C1 derivatives to the Ni/Fe closest-packed surfaces is strengthened compared to that on Ni(111), arising from the upshift of the weighted d-band centers of catalyst surfaces. Then, the transition states for the four successive dehydrogenation steps in CH4 dissociation are located using the dimer method. It is found that the energy barriers for the first three steps are rather close on the alloyed Ni/Fe and Ni surfaces, while the activation energy for CH dissociation is substantially lowered with the introduction of Fe. The dissolution of the generated C from the surface into the bulk of the Ni/Fe alloys is thermodynamically favorable, and the diffusion of C through catalyst particles is hindered by the Fe component. With the combination of density functional theory calculations and kinetic analysis, the C concentration in catalyst particles is predicted to increase with the Fe content. Meanwhile, other experimental conditions, such as the composition of carbon-containing gases, feedstock partial pressure, and reaction temperature, are also found to play a key role in determining the C concentration in bulk metal, and hence the microstructures of generated CNFs.
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.…
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…
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…
Singular perturbation applications in neutron transport
Losey, D.C.; Lee, J.C.
1996-09-01
This is a paper on singular perturbation applications in neutron transport for submission at the next ANS conference. A singular perturbation technique was developed for neutron transport analysis by postulating expansion in terms of a small ordering parameter {eta}. Our perturbation analysis is carried, without approximation, through {Omicron}({eta}{sup 2}) to derive a material interface correction for diffusion theory. Here we present results from an analytical application of the perturbation technique to a fixed source problem and then describe and implementation of the technique in a computational scheme.
2009-01-01
Background Computerized provider order entry (CPOE) systems have been introduced to reduce medication errors, increase safety, improve work-flow efficiency, and increase medical service quality at the moment of prescription. Making the impact of CPOE systems more observable may facilitate their adoption by users. We set out to examine factors associated with the adoption of a CPOE system for inter-organizational and intra-organizational care. Methods The diffusion of innovation theory was used to understand physicians' and nurses' attitudes and thoughts about implementation and use of the CPOE system. Two online survey questionnaires were distributed to all physicians and nurses using a CPOE system in county-wide healthcare organizations. The number of complete questionnaires analyzed was 134 from 200 nurses (67.0%) and 176 from 741 physicians (23.8%). Data were analyzed using descriptive-analytical statistical methods. Results More nurses (56.7%) than physicians (31.3%) stated that the CPOE system introduction had worked well in their clinical setting (P < 0.001). Similarly, more physicians (73.9%) than nurses (50.7%) reported that they found the system not adapted to their specific professional practice (P = < 0.001). Also more physicians (25.0%) than nurses (13.4%) stated that they did want to return to the previous system (P = 0.041). We found that in particular the received relative advantages of the CPOE system were estimated to be significantly (P < 0.001) higher among nurses (39.6%) than physicians (16.5%). However, physicians' agreements with the compatibility of the CPOE and with its complexity were significantly higher than the nurses (P < 0.001). Conclusions Qualifications for CPOE adoption as defined by three attributes of diffusion of innovation theory were not satisfied in the study setting. CPOE systems are introduced as a response to the present limitations in paper-based systems. In consequence, user expectations are often high on their relative
Transport Corrections in Nodal Diffusion Codes for HTR Modeling
Abderrafi M. Ougouag; Frederick N. Gleicher
2010-08-01
The cores and reflectors of High Temperature Reactors (HTRs) of the Next Generation Nuclear Plant (NGNP) type are dominantly diffusive media from the point of view of behavior of the neutrons and their migration between the various structures of the reactor. This means that neutron diffusion theory is sufficient for modeling most features of such reactors and transport theory may not be needed for most applications. Of course, the above statement assumes the availability of homogenized diffusion theory data. The statement is true for most situations but not all. Two features of NGNP-type HTRs require that the diffusion theory-based solution be corrected for local transport effects. These two cases are the treatment of burnable poisons (BP) in the case of the prismatic block reactors and, for both pebble bed reactor (PBR) and prismatic block reactor (PMR) designs, that of control rods (CR) embedded in non-multiplying regions near the interface between fueled zones and said non-multiplying zones. The need for transport correction arises because diffusion theory-based solutions appear not to provide sufficient fidelity in these situations.
Capponi, S; Arbe, A; Alvarez, F; Colmenero, J; Frick, B; Embs, J P
2009-11-28
Quasielastic neutron scattering experiments (time-of-flight, neutron spin echo, and backscattering) on protonated poly(vinyl methyl ether) (PVME) have revealed the hydrogen dynamics above the glass-transition temperature. Fully atomistic molecular dynamics simulations properly validated with the neutron scattering results have allowed further characterization of the atomic motions accessing the correlation functions directly in real space. Deviations from Gaussian behavior are found in the high-momentum transfer range, which are compatible with the predictions of mode coupling theory (MCT). We have applied the MCT phenomenological version to the self-correlation functions of PVME atoms calculated from our simulation data, obtaining consistent results. The unusually large value found for the lambda-exponent parameter is close to that recently reported for polybutadiene and simple polymer models with intramolecular barriers. PMID:19947703
NASA Technical Reports Server (NTRS)
Elsner, R. F.; Lamb, F. K.
1984-01-01
A variety of entry modes were investigated to determine whether most of the accreting plasma enters the magnetosphere as a result of hydromagnetic instability or via other means. It is shown that diffusion is never important under the conditions of interest, nor is the loss-cone entry through the polar cusps when the plasma is collisionless. Although the loss-cone entry rate can be significantly increased if the plasma in the cusps cools and becomes collisional, this cannot stabilize the magnetosphere. The descent of the cusps cannot be the dominant entry process if the star has a persistent luminosity greater than about 10 to the 36th erg/s and a substantial fraction of the magnetosphere is illuminated. This, however, can be a significant entry process for much lower luminosities or strongly anisotropic illumination. The possibility that plasma entry via reconnection can stabilize the magnetosphere is also unlikely.
Koyama, Tatsuya; Iwasaki, Atsushi; Ogoshi, Yosuke; Okada, Eiji
2005-04-10
A practical and adequate approach to modeling light propagation in an adult head with a low-scattering cerebrospinal fluid (CSF) region by use of diffusion theory was investigated. The diffusion approximation does not hold in a nonscattering or low-scattering regions. The hybrid radiosity-diffusion method was adopted to model the light propagation in the head with a nonscattering region. In the hybrid method the geometry of the nonscattering region is acquired as a priori information. In reality, low-level scattering occurs in the CSF region and may reduce the error caused by the diffusion approximation. The partial optical path length and the spatial sensitivity profile calculated by the finite-element method agree well with those calculated by the Monte Carlo method in the case in which the transport scattering coefficient of the CSF layer is greater than 0.3 mm(-1). Because it is feasible to assume that the transport scattering coefficient of a CSF layer is 0.3 mm(-1), it is practical to adopt diffusion theory to the modeling of light propagation in an adult head as an alternative to the hybrid method. PMID:15835358
NASA Astrophysics Data System (ADS)
Koyama, Tatsuya; Iwasaki, Atsushi; Ogoshi, Yosuke; Okada, Eiji
2005-04-01
A practical and adequate approach to modeling light propagation in an adult head with a low-scattering cerebrospinal fluid (CSF) region by use of diffusion theory was investigated. The diffusion approximation does not hold in a nonscattering or low-scattering regions. The hybrid radiosity-diffusion method was adopted to model the light propagation in the head with a nonscattering region. In the hybrid method the geometry of the nonscattering region is acquired as a priori information. In reality, low-level scattering occurs in the CSF region and may reduce the error caused by the diffusion approximation. The partial optical path length and the spatial sensitivity profile calculated by the finite-element method agree well with those calculated by the Monte Carlo method in the case in which the transport scattering coefficient of the CSF layer is greater than 0.3 mm^-1. Because it is feasible to assume that the transport scattering coefficient of a CSF layer is 0.3 mm^-1, it is practical to adopt diffusion theory to the modeling of light propagation in an adult head as an alternative to the hybrid method.
NASA Astrophysics Data System (ADS)
Stockett, Mark H.
The identity of the carrier molecules of the Diffuse Interstellar Bands (DIBs) is the most durable mystery of spectroscopic astronomy. The DIBs comprise over 400 mostly broad, weak absorption features observed along many lines of sight throughout the Milky Way. Though large Polycyclic Aromatic Hydrocarbons (PAHs) are suspected to be the source of the DIBs, no definitive matches have yet been made to laboratory PAH spectra. The Diffuse Interstellar Band Synchrotron Radiation Carrier Hunt (DIBSyRCH) experiment has been built at the Synchrotron Radiation Center (SRC) to test this hypothesis by conducting a spectroscopic survey of a broad range of low-temperature, gas phase PAH molecules and ions. The key elements of this experiment are the synchrotron radiation continuum from the SRC White Light beamline, a custom echelle spectrograph and the Cryogenic Circulating Advective Multi-Pass (CCAMP) absorption cell. The development and results of this experiment are described in detail. Recent abundance determinations of heavy n(eutron)-capture elements in very old, very metal-poor Galactic halostars have yielded new insights on the roles of the r(apid)- and s(low)-processes in the initial burst of Galactic nucleosynthesis. The Rare Earth (RE) elements are an important part of such efforts. The results of this ongoing work are reshaping our understanding of the chemical evolution of the Galaxy. Absolute atomic transition probabilities are necessary for quantitative spectroscopy in astronomy and applied fields such as lighting. I performed lifetime measurements, accurate to +/-5%, for 8 even parity and 72 odd parity levels of singly ionized erbium. These radiative lifetimes were used to determine absolute transition probabilities for 418 lines of Er II, enabling new Er abundance measurements for the sun and 5 r-process rich, metal poor stars. I performed absorption experiments using synchrotron radiation to assess the impact of possible unobserved infrared branches on
Mandelis, Andreas; Feng, Chris
2002-02-01
A three-dimensional theory of the frequency-domain thermal-wave field generated inside a turbid medium with optical and thermal properties of human tissue is presented. The optical source is treated as a three-dimensional harmonically modulated diffuse-photon-density wave (DPDW) field in the diffusion approximation of the radiative transfer theory. Unlike earlier Green-function-based theoretical models, exact boundary conditions are used based on the requirement that there should be no diffuse photon intensity entering the turbid medium from the outside. Explicit analytical expressions for the DPDW field and for the dependent thermal-wave field are obtained in the spatial Hankel-transform domain. The formalism is further extended to the calculation of the infrared photothermal radiometric signal arising from the nonradiatively generated thermal-wave distribution in turbid media with instantaneous nonradiative deexcitation as well as in media with nonzero fluorescence relaxation lifetimes. Numerical inversions have been performed and presented as examples of selected special cases of the theory. It is found that the present theory with exact DPDW-field boundary conditions is valid throughout the entire domain of the turbid medium, with the exception of the very near-surface ballistic photon "skin layer" (7-50 microm). Photothermal radiometric signals were found to be more reliably predicted than DPDW signals within this layer, due to the depth-integration nature of this detection methodology. PMID:11863565
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.
NASA Astrophysics Data System (ADS)
Titarchuk, Lev; Osherovich, Vladimir
1999-06-01
We present a dimensional analysis of two characteristic timescales in the boundary layer where the disk adjusts to the rotating neutron star (NS). The boundary layer is treated as a transition region between the NS surface and the first Keplerian orbit. The radial transport of the angular momentum in this layer is controlled by a viscous force defined by the Reynolds number, which in turn is related to the mass accretion rate. We show that the observed low-Lorentzian frequency is associated with radial oscillations in the boundary layer, where the observed break frequency is determined by the characteristic diffusion time of the inward motion of the matter in the accretion flow. Predictions of our model regarding relations between those two frequencies and the frequencies of kilohertz quasi-periodic oscillations (kHz QPOs) compare favorably with recent observations of the source 4U 1728-34. This Letter contains a theoretical classification of kHz QPOs in NS binaries and the related low-frequency features. Thus, results concerning the relationship between the low-Lorentzian frequency of viscous oscillations and the break frequency are presented in the framework of our model of kHz QPOs viewed as Keplerian oscillations in a rotating frame of reference.
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.
Singular perturbation analysis of the neutron transport equation
Losey, D.C.; Lee, J.C.
1996-07-01
A singular perturbation technique is applied to the one-speed, one- dimensional neutron transport equation with isotropic scattering. Our technique extends previous singular perturbation applications to higher-order and reduces the transport problem to a series of diffusion theory problems in the interior medium and a series of analytically solvable transport problems in the boundary layers. Asymptotic matching links the two solutions, yielding boundary conditions and a composite expansion valid throughout the media. Our formulation generates an accurate correction for the material interface condition used in global diffusion theory calculations.
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…
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.
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.
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.
Density functional theory study of the mechanism of Li diffusion in rutile RuO{sub 2}
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.
1,2,3-D Diffusion Depletion Multi-Group
Energy Science and Technology Software Center (ESTSC)
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.
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. PMID:24801196
Reactor physics analyses of the advanced neutron source three-element core
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.
Diffusion in Coulomb crystals.
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
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
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...
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.
NASA Astrophysics Data System (ADS)
Titarchuk, L. G.; Bradshaw, C. F.; Wood, K. S.
2001-10-01
We present a method for determining the B-field around neutron stars based on observed kilohertz and viscous quasi-periodic oscillation (QPO) frequencies used in combination with the best-fit optical depth and temperature of a Comptonization model. In the framework of the transition layer QPO model, we analyze the magnetoacoustic wave (MAW) formation in the layer between a neutron star surface and the inner edge of a Keplerian disk. We derive formulas for the MAW frequencies for different regimes of radial transition layer oscillations. We demonstrate that our model can use the QPO as a new kind of probe to determine the magnetic field strengths for 4U 1728-42, GX 340+0, and Scorpius X-1 in the zone where the QPOs occur. Observations indicate that the dependence of the viscous frequency on the Keplerian frequency is closely related to the inferred dependence of the MAW frequency on the Keplerian frequency for a dipole magnetic field. The MAW dependence is based on a single parameter, the magnetic moment of the star as estimated from the field strength in the transition layer. The best-fit magnetic moment parameter is about (0.5-1)×1025 G cm3 for all studied sources. From observational data, the magnetic fields within distances less than 20 km from the neutron star for all three sources are strongly constrained to be dipole fields with the strengths of 107-108 G on the neutron star surface.
NASA Astrophysics Data System (ADS)
Havlin, Shlomo; Ben-Avraham, Daniel
2002-01-01
Diffusion in disordered systems does not follow the classical laws which describe transport in ordered crystalline media, and this leads to many anomalous physical properties. Since the application of percolation theory, the main advances in the understanding of these processes have come from fractal theory. Scaling theories and numerical simulations are important tools to describe diffusion processes (random walks: the 'ant in the labyrinth') on percolation systems and fractals. Different types of disordered systems exhibiting anomalous diffusion are presented (the incipient infinite percolation cluster, diffusion-limited aggregation clusters, lattice animals, and random combs), and scaling theories as well as numerical simulations of greater sophistication are described. Also, diffusion in the presence of singular distributions of transition rates is discussed and related to anomalous diffusion on disordered structures.
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.
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.
NASA Astrophysics Data System (ADS)
Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.
2015-01-01
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 Aa 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 Aa (occupied) to Aa (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.
ERIC Educational Resources Information Center
McAnany, Emile G.
Through a review of development literature, this paper examines the changes that have occurred in thinking about the role of communication in developing nations. The first section of the paper surveys the theories of the past, including those of the neo-classical and Marxist scholars. The section also looks at the emergence of the dependency…
NASA Technical Reports Server (NTRS)
Gokoglu, S. A.; Chen, B. K.; Rosner, D. E.
1984-01-01
The computer program based on multicomponent chemically frozen boundary layer (CFBL) theory for calculating vapor and/or small particle deposition rates is documented. A specific application to perimter-averaged Na2SO4 deposition rate calculations on a cylindrical collector is demonstrated. The manual includes a typical program input and output for users.
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.
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. PMID:26853083
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
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.
Lavack, Anne M; Kropp, Fredric
2003-01-01
This research examines the relationship between consumer susceptibility to interpersonal influence (CSII) and smoking diffusion patterns in Canada and South Korea. It is hypothesized that individuals with higher susceptibility to interpersonal influence are more likely to follow the dominant trend with regard to smoking behavior. Among South Korean females, smoking prevalence has been increasing and, in line with this trend, smokers were found to have a higher susceptibility to interpersonal influence than non-smokers. Among Canadians and among South Korean males, smoking has been in decline and, in line with this trend, non-smokers were found to have a higher susceptibility to interpersonal influence than smokers. Implications for social marketers and health professionals are discussed. PMID:15145782
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.
Hydrogen diffusion in the protonic conductor BaCe1-xGdxO3-(x)/(2) from density functional theory
NASA Astrophysics Data System (ADS)
Hermet, Jessica; Torrent, Marc; Bottin, François; Dezanneau, Guilhem; Geneste, Grégory
2013-03-01
The diffusion barriers of protonic defects in Gd-doped BaCeO3, a compound candidate as electrolyte for protonic ceramic fuel cells, have been investigated by density functional theory calculations, starting from a previously computed energy landscape consisting of 16 kinds of stable sites (eight close to dopants and eight far from them). The simplified string method has been used to determine accurately the minimum energy paths between those sites that might imply either proton reorientations, intraoctahedral, or interoctahedral hopping mechanisms. At contrast with simple cubic perovskites such as barium stannate or barium zirconate, very different values for energy barriers (from 0.02 to 0.58 eV) are found in this highly distorted orthorhombic perovskite, and no specific process appears to be clearly rate limiting. Some interoctahedral hoppings (when possible) are found to be more favorable than the intraoctahedral ones, while reorientations exhibit a wide range of energy barriers.
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
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.
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.
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.
Anisotropic diffusion of neutral particles in stochastic media
NASA Astrophysics Data System (ADS)
Vasques, Richard
This work introduces a new homogenization theory for the transport of particles in stochastic media. This theory utilizes a nonclassical form of the 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 take the diffusion limit of this equation and derive an anisotropic diffusion equation. (The diffusion is anisotropic because the mean and mean square distances between collisions in the horizontal and vertical directions are slightly different.) We then generate different possible realizations of modeled 2-D and 3-D Pebble-Bed Reactor cores, divided into crystal (honeycomb in 2-D, face-centered in 3-D) and random structures. (To generate the random structures, we developed 2-D and 3-D ballistic deposition algorithms.) We apply Monte Carlo codes (which we also developed) in these structures to simulate neutron transport in both 2-D and 3-D systems; results from these simulations are presented. We show that the results predicted using the new theory more closely agree with the numerical experiments than the atomic mix results and its corrections, and that the new theory can accurately predict small anisotropic effects detected in the simulations. We conclude by discussing the general anisotropic behavior of particles that are born close to the wall of the core, and by showing that the new theory can be used to accurately estimate this effect.
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 Ba_{2}YRuO_{6} 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 Sr_{2}YRuO_{6}, and similarities and differences are emphasized.
Shen, W.
2012-07-01
Two issues may affect the accuracy of computed core reactivities and flux/power distributions for the Super Critical Water Reactor (SCWR) core with traditional core-analysis code RFSP: one is the two-energy-group neutron-diffusion theory; the other is the generation of lattice-homogenized properties with the lattice code based on the single-lattice-cell model without considering the effects of the environment. These two issues are not SCWR specific; however their effect may be more significant for SCWR. It has been illustrated that the lattice-homogenized properties calculated with the single-lattice-cell model is not sufficiently accurate for heterogeneous core configurations such as ACR-1000 checkerboard-voiding and core-reflector interface when adjacent channels experience significant spectrum interaction. To evaluate the adequacy of using two-group neutron-diffusion theory with single-lattice-based lattice properties for the analysis of the SCWR core, a 2-D SCWR benchmark problem was setup with the reference solution provided by the continuous-energy Monte-Carlo code SERPENT. The assessment shows that the traditional two-group neutron-diffusion theory with the single-lattice-cell- based lattice properties is not sufficient to capture either the spectral change or the environment effect for the SCWR core. The solution of the eight-group neutron-diffusion equation with the multicell- based lattice properties is considered appropriate for the analysis of the d SCWR core. (authors)
Wende, Charles W. J.; Babcock, Dale F.; Menegus, Robert L.
1983-01-01
A nuclear reactor includes an active portion with fissionable fuel and neutron moderating material surrounded by neutron reflecting material. A control element in the active portion includes a group of movable rods constructed of neutron-absorbing material. Each rod is movable with respect to the other rods to vary the absorption of neutrons and effect control over neutron flux.
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
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.
Lander, Laura; Reynaud, Marine; Carrasco, Javier; Katcho, Nebil A; Bellin, Christophe; Polian, Alain; Baptiste, Benoît; Rousse, Gwenaëlle; Tarascon, Jean-Marie
2016-06-01
The quest for new sustainable iron-based positive electrode materials for lithium-ion batteries recently led to the discovery of a new family of compounds with the general formula Li2M(SO4)2 with M = transition metal, which presents monoclinic and orthorhombic polymorphs. In terms of electrochemical performances, although both Li2Fe(SO4)2 polymorphs present a similar potential of ∼3.8 V vs. Li(+)/Li(0), the associated electrochemical processes drastically differ in terms of polarization and reaction redox mechanisms. We herein provide an explanation to account for such a behavior. While monoclinic Li2Fe(SO4)2 directly transforms into Li1.0Fe(SO4)2 upon oxidation, the orthorhombic counterpart forms a distinct intermediate Li1.5Fe(SO4)2 phase leading to a two-step delithiation process involving an unequal depopulation of the two Li sites pertaining to the structure as deduced by neutron powder diffraction experiments and confirmed by both density functional theory and Bond Valence Energy Landscape calculations. Moreover, to access band gap information, both polymorphs are studied by UV/Vis spectroscopy. Lastly, the possibility of transforming the monoclinic phase to the orthorhombic phase under pressure is explored. PMID:27223874
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.
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.
NASA Astrophysics Data System (ADS)
Sánchez-Sesma, Francisco J.; Piña, José; García-Jerez, Antonio; Luzón, Francisco; Perton, Mathieu
2014-05-01
The microtremor H/V spectral ratio (MHVSR) is widely used to assess the dominant frequency of soil sites. Measurements are relatively simple as only one station is needed. It has been recently proposed a theoretical basis linking ambient noise vibrations with diffuse field theory. In this theory the directional energy density computed as the average spectral density of motion at a point, is proportional to the imaginary part of Green function at the observation point. 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 ImG11 / ImG33, where ImG11 and ImG33 are the imaginary part of Green functions at the load point for horizontal and vertical components, respectively. In order to efficiently compute the imaginary part of Green's functions in a layered medium we start from an integral on the complex k plane and, using Harkrider's nomenclature, separate formulae for body-, Rayleigh-, and Love-wave components to the spectral densities are obtained. Then the poles allow for integration using the Cauchy residue theorem plus some contributions from branch integrals. It is possible to isolate pseudo reflections from ImG11 and thus constrain the inversion of soil profile. We assess ImG11 removing the influence of illumination spectrum using the H/V spectral ratio and an estimate of ImG33 (from an 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 Poisson ratio of the uppermost layer controls the slope in high frequency. With the obtained model ImG33 can be updated and the estimate of ImG11 will be improved. ACKNOWLEDGEMENTS. This research has been partially supported by DGAPA-UNAM under Project IN104712, by the MINECO research project CGL2010-16250, Spain, by the EU with FEDER, and the AXA Research Fund.
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.
Diffusion model for lightning radiative transfer
NASA Technical Reports Server (NTRS)
Koshak, William J.; Solakiewicz, Richard J.; Phanord, Dieudonne D.; Blakeslee, Richard J.
1994-01-01
A one-speed Boltzmann transport theory, with diffusion approximations, is applied to study the radiative transfer properties of lightning in optically thick thunderclouds. Near-infrared (lambda = 0.7774 micrometers) photons associated with a prominent oxygen emission triplet in the lightning spectrum are considered. Transient and spatially complex lightning radiation sources are placed inside a rectangular parallelepiped thundercloud geometry and the effects of multiple scattering are studied. The cloud is assumed to be composed of a homogeneous collection of identical spherical water droplets, each droplet a nearly conservative, anisotropic scatterer. Conceptually, we treat the thundercloud like a nuclear reactor, with photons replaced by neutrons, and utilize standard one-speed neutron diffusion techniques common in nuclear reactor analyses. Valid analytic results for the intensity distribution (expanded in spherical harmonics) are obtained for regions sufficiently far from sources. Model estimates of the arrival-time delay and pulse width broadening of lightning signals radiated from within the cloud are determined and the results are in good agreement with both experimental data and previous Monte Carlo estimates. Additional model studies of this kind will be used to study the general information content of cloud top lightning radiation signatures.
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.
Schumaker, B.L.
1985-01-01
This thesis is a collection of six papers. The first four constitute the heart of the thesis; they are concerned with quantum-mechanical properties of certain harmonic-oscillator states. The first paper is a discourse on single-mode and two-mode Gaussian pure states (GPS), states produced when harmonic oscillators in their ground states are exposed to potentials that are linear or quadratic in oscillator position and momentum variables (creation and annihilation operators). The second and third papers develop a formalism for analyzing two photon devices (e.g., parametric amplifiers and phase-conjugate mirrors), in which photons in the output modes arise from two-proton transitions, i.e., are created or destroyed two at a time. The fourth paper is an analysis of the noise in homodyne detection, a phase-sensitive detection scheme in which the special properties of (single-mode) squeezed states are revealed. The fifth paper considers the validity of the standard quantum limit (SQL) for measurements that monitor the position of a free mass. The sixth paper develops the mathematical theory of torsional (toroidal) oscillations in fully general relativistic, nonrotating, spherical stellar models and of the gravitational waves they emit.
Accurate Relations Between the Neutron Current Densities and the Neutron Fluxes
Ronen, Yigal
2004-02-15
Accurate relations between neutron current densities and neutron flux are obtained using the integral transport equation. Using these relations and Fick's Law, diffusion constants can be calculated. These diffusion constants are better than those usually used for the cases in which {sigma}{sub a}/{sigma}{sub s} is not small.
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
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
Radius of influence for a cosmic-ray soil moisture probe : theory and Monte Carlo simulations.
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.
Cope, F W
1977-01-01
If, as recent evidence indicates, most cell potassium is associated with macromolecular fixed charge, then diffusion of potassium ions in cells might occur by (1) diffusion of the small fraction of free potassium in cell water (analogous to electrons in the conduction band of a semiconductor) or by (2) diffusion of vacancies on association sites (analogous to holes in a semiconductor). Derivations of the Fick first law of diffusion predict that partial substitution of sodium for potassium in the cell produces opposite effects on the effective diffusion constant of potassium for those mechanisms. Application of that substitution to nerve data suggests that rubidium ions diffuse by a free cation result when the nerve is clamped at its resting potential, but by a vacancy mechanism when the nerve is clamped at zero voltage. PMID:613332
Exact-to-precision generalized perturbation for neutron transport calculation
Wang, C.; Abdel-Khalik, H. S.
2013-07-01
This manuscript extends the exact-to-precision generalized perturbation theory (E{sub P}GPT), introduced previously, to neutron transport calculation whereby previous developments focused on neutron diffusion calculation only. The E{sub P}GPT collectively denotes new developments in generalized perturbation theory (GPT) that place premium on computational efficiency and defendable accuracy in order to render GPT a standard analysis tool in routine design and safety reactor calculations. EPGPT constructs a surrogate model with quantifiable accuracy which can replace the original neutron transport model for subsequent engineering analysis, e.g. functionalization of the homogenized few-group cross sections in terms of various core conditions, sensitivity analysis and uncertainty quantification. This is achieved by reducing the effective dimensionality of the state variable (i.e. neutron angular flux) by projection onto an active subspace. Confining the state variations to the active subspace allows one to construct a small number of what is referred to as the 'active' responses which are solely dependent on the physics model rather than on the responses of interest, the number of input parameters, or the number of points in the state phase space. (authors)
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. PMID:26602151
NEUTRON MEASURING METHOD AND APPARATUS
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.
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.
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
Neutron and x-ray scattering studies of premartensitic phenomena
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.
Pauling, Linus
1988-01-01
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. PMID:16593990
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.
Flux-limited diffusion with relativistic corrections
Pomraning, G.C.
1983-03-15
A recently reported flux-limited diffusion theory is extended to include relativistic terms, correct to first order in the fluid velocity. We show that this diffusion theory is fully flux limited, and yields the correct result for the radiative flux in the classical diffusion limit, namely a Fick's law component plus a v/c convective term.
Collective excitations in neutron-star crusts
NASA Astrophysics Data System (ADS)
Chamel, N.; Page, D.; Reddy, S.
2016-01-01
We explore the spectrum of low-energy collective excitations in the crust of a neutron star, especially in the inner region where neutron-proton clusters are immersed in a sea of superfluid neutrons. The speeds of the different modes are calculated systematically from the nuclear energy density functional theory using a Skyrme functional fitted to essentially all experimental atomic mass data.
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…
Lateral Diffusion in an Archipelago
Saxton, Michael J.
1982-01-01
Lateral diffusion of molecules in lipid bilayer membranes can be hindered by the presence of impermeable domains of gel-phase lipid or of proteins. Effective-medium theory and percolation theory are used to evaluate the effective lateral diffusion constant as a function of the area fraction of fluid-phase lipid and the permeability of the obstructions to the diffusing species. Applications include the estimation of the minimum fraction of fluid lipid needed for bacterial growth, and the enhancement of diffusion-controlled reactions by the channeling effect of solid patches of lipid. PMID:7052153
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.
Green's Function Nodal Algorithm for the Diffusion Equation.
Energy Science and Technology Software Center (ESTSC)
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 .
Kinetic analysis of spinodal decomposition process in Fe-Cr alloys by small angle neutron scattering
Ujihara, T.; Osamura, K.
2000-04-19
The rate of spinodal decomposition depends on the spatial composition distribution. In order to estimate the time dependence of its rate experimentally, the structure change was investigated in Fe-30 at.% Cr and Fe-50 at.% Cr alloys aged at 748, 773, 798, and 823 K via small angle neutron scattering and a kinetic analysis of experimental data was carried out by using the Langer-Bar-on-Miller (LBM) theory. Their theory contains a rate term of a physical meaning similar to the diffusion coefficient. As a result, it becomes clear that the rate term corresponding to the diffusion coefficient decreases as decomposition advances and this fact can be explained by the modified LBM theory considering the composition-dependent mobility.
NASA Astrophysics Data System (ADS)
Lesher, C. E.
1994-05-01
Diffusion coefficents that govern chemical isotopic exchange of Sr and Nd were determined from compositional profiles developed between juxtaposed anhydous 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 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(sup *)(sub Sr) is a factor of 3 greater than D(sup asterisk)(sub Nd) in basalt and an order of magnitude greater than D(sup asterisk)(sub Nd) in rhyolite. Variations in D(sup *)(sub Sr) and D(sup asterisk)(sub Nd) with bulk composition and temperature between 1255-1465 C are described by ln D(sup *)(sub Sr) = -16.25 - (16348/T) + 8.02(0.73 - X(sub SiO2)) and ln D(sup asterisk)(sub Nd) = 13.73 - (23875/T) + 14.43(0.73 - X(sub SiO2)), where the units of D(sup *) are square meters per second, T is temperature in kelvins, and X(sub SiO2) is weight fraction silica. The results of a Boltzmann-Matano analysis of Sr-87/sigma Sr and Nd-144/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. In addition, Sr, Nd, and Al show initial periods of uphill diffusion, while other melt components diffuse down their respective concentration gradients leading to chemical homogenization. Despite uphill diffusive
Anisotropic fractional diffusion tensor imaging
Meerschaert, Mark M; Magin, Richard L; Ye, Allen Q
2015-01-01
Traditional diffusion tensor imaging (DTI) maps brain structure by fitting a diffusion model to the magnitude of the electrical signal acquired in magnetic resonance imaging (MRI). Fractional DTI employs anomalous diffusion models to obtain a better fit to real MRI data, which can exhibit anomalous diffusion in both time and space. In this paper, we describe the challenge of developing and employing anisotropic fractional diffusion models for DTI. Since anisotropy is clearly present in the three-dimensional MRI signal response, such models hold great promise for improving brain imaging. We then propose some candidate models, based on stochastic theory.
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.
Static Response of Neutron Matter.
Buraczynski, Mateusz; Gezerlis, Alexandros
2016-04-15
We generalize the problem of strongly interacting neutron matter by adding a periodic external modulation. This allows us to study from first principles a neutron system that is extended and inhomogeneous, with connections to the physics of both neutron-star crusts and neutron-rich nuclei. We carry out fully nonperturbative microscopic quantum Monte Carlo calculations of the energy of neutron matter at different densities, as well as different strengths and periodicities of the external potential. In order to remove systematic errors, we examine finite-size effects and the impact of the wave function ansatz. We also make contact with energy-density functional theories of nuclei and disentangle isovector gradient contributions from bulk properties. Finally, we calculate the static density-density linear response function of neutron matter and compare it with the response of other physical systems. PMID:27127963
Static Response of Neutron Matter
NASA Astrophysics Data System (ADS)
Buraczynski, Mateusz; Gezerlis, Alexandros
2016-04-01
We generalize the problem of strongly interacting neutron matter by adding a periodic external modulation. This allows us to study from first principles a neutron system that is extended and inhomogeneous, with connections to the physics of both neutron-star crusts and neutron-rich nuclei. We carry out fully nonperturbative microscopic quantum Monte Carlo calculations of the energy of neutron matter at different densities, as well as different strengths and periodicities of the external potential. In order to remove systematic errors, we examine finite-size effects and the impact of the wave function ansatz. We also make contact with energy-density functional theories of nuclei and disentangle isovector gradient contributions from bulk properties. Finally, we calculate the static density-density linear response function of neutron matter and compare it with the response of other physical systems.
Lattimer, J M; Prakash, M
2004-04-23
Neutron stars are some of the densest manifestations of massive objects in the universe. They are ideal astrophysical laboratories for testing theories of dense matter physics and provide connections among nuclear physics, particle physics, and astrophysics. Neutron stars may exhibit conditions and phenomena not observed elsewhere, such as hyperon-dominated matter, deconfined quark matter, superfluidity and superconductivity with critical temperatures near 10(10) kelvin, opaqueness to neutrinos, and magnetic fields in excess of 10(13) Gauss. Here, we describe the formation, structure, internal composition, and evolution of neutron stars. Observations that include studies of pulsars in binary systems, thermal emission from isolated neutron stars, glitches from pulsars, and quasi-periodic oscillations from accreting neutron stars provide information about neutron star masses, radii, temperatures, ages, and internal compositions. PMID:15105490
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.
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.
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.
NASA Astrophysics Data System (ADS)
Wadle, Stephen; Wuest, Daniel; Cantalupo, John; Lakes, Roderic S.
1994-01-01
Holographic diffusers are prepared using silver halide (Agfa 8E75 and Kodak 649F) and photopolymer (Polaroid DMP 128 and DuPont 600, 705, and 150 series) media. It is possible to control the diffusion angle in three ways: by selection of the properties of the source diffuser, by control of its subtended angle, and by selection of the holographic medium. Several conventional diffusers based on refraction or scattering of light are examined for comparison.
Shi, Zhenzhi; Fan, Ying; Zhao, Huijuan; Xu, Kexin
2012-06-01
Accurate determination of the optical properties (the absorption coefficient μ(a) and the reduced scattering coefficient μ(s) (')) of tissues is very important in a variety of diagnostic and therapeutic procedures. Optical diffusion theory is frequently used as the forward model for describing the photon transfer in media with large reduced albedos (a(')) and in large source-detector separations (SDS). Several other methods (PN approximation, hybrid diffusion-P3 approximation) have also been published that describe photon transfer in media with low a(') or small SDSs. We studied the theoretical models for the steady-state spatially resolved diffuse reflectance measurement to accurately determine μ(a) and μ(s) (') at large a(') range but small SDSs. Instead of using a single model, a joint derivation method is proposed. The developed method uses one of the best aforementioned theoretical methods separately in five ranges of a(') determined from several forward models. In the region of small SDSs (the range between 0.4 and 8 mm) and large a(') range (between 0.5 and 0.99), the best theoretical derivation model was determined. The results indicate that the joint derivation method can improve the derivation accuracy and that a(') range can be determined by the steady-state spatially resolved diffuse reflectance measurement. PMID:22734782
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.
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.
2011 U.S. National School on Neutron and X-ray Scattering
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.
ANALYSIS OF DIFFUSION FIELD EXPERIMENTS
The report describes general theoretical frameworks for the ordering of diffusion field data in terms of meteorological measurements. The three methods described are surface-layer (Monin-Obukhov) similarity, convective scaling, and statistical theory using wind fluctuations. Earl...
Measurement of Diffusion in Flowing Complex Fluids
Leonard, Edward F.; Aucoin, Christian P.; Nanne, Edgar E.
2006-01-01
A microfluidic device for the measurement of solute diffusion as well as particle diffusion and migration in flowing complex fluids is described. The device is particularly suited to obtaining diffusivities in such fluids, which require a desired flow state to be maintained during measurement. A method based on the Loschmidt diffusion theory and short times of exposure is presented to allow calculation of diffusivities from concentration differences in the flow streams leaving the cell. PMID:18560469
Fractional diffusion on bounded domains
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.
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.
A Search for Exotic Spin-Dependent Interactions of the Neutron using Neutron Spin Rotation
NASA Astrophysics Data System (ADS)
Haddock, Chris; Nsr Collaboration
2016-03-01
Many theories beyond the Standard Model lead at low energy to spin-dependent, weakly-coupled interactions of mesoscopic range. Laboratory constraints on such interactions are quite poor. We describe an experiment in progress at the LANSCE spallation neutron source at Los Alamos to search for exotic axial couplings of neutrons to matter from light vector boson exchange. The experiment makes use of a slow neutron polarimeter and a target with an oscillating mass density. Neutron Spin Rotation.
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.
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.
Configurational diffusion of coal macromolecules
Guin, J.A.; Curtis, C.W.; Tarrer, A.R.
1990-01-01
As shown in last quarter's report on the configurational diffusion of coal macromolecules, the hindered diffusion data for both TPP and coal macromolecules were significantly different from the theoretical correlations. In order to evaluate the factors which could lead to this difference an error analysis was conducted, and the detailed results reported herein. Generally, we did not find any errors which could account for the deviation from the theory, and thus we conclude that this deviation is real and can be ascribed to some factor not considered by the hindered diffusion theory, i.e., attractive or repulsive forces. 2 refs., 4 figs., 4 tabs.
Deridder, Sander; Desmet, Gert
2012-02-01
Using computational fluid dynamics (CFD), the effective B-term diffusion constant γ(eff) has been calculated for four different random sphere packings with different particle size distributions and packing geometries. Both fully porous and porous-shell sphere packings are considered. The obtained γ(eff)-values have subsequently been used to determine the value of the three-point geometrical constant (ζ₂) appearing in the 2nd-order accurate effective medium theory expression for γ(eff). It was found that, whereas the 1st-order accurate effective medium theory expression is accurate to within 5% over most part of the retention factor range, the 2nd-order accurate expression is accurate to within 1% when calculated with the best-fit ζ₂-value. Depending on the exact microscopic geometry, the best-fit ζ₂-values typically lie in the range of 0.20-0.30, holding over the entire range of intra-particle diffusion coefficients typically encountered for small molecules (0.1 ≤ D(pz)/D(m) ≤ 0.5). These values are in agreement with the ζ₂-value proposed by Thovert et al. for the random packing they considered. PMID:22236565
NASA Astrophysics Data System (ADS)
Fillaux, François; Cousson, Alain
2016-03-01
Neutron diffraction by single-crystals KH2(1- ρ)D2 ρ PO4 at 293 K reveal quantum interferences consistent with a static lattice of entangled proton-deuteron scatterers. These crystals are represented by a macroscopic-scale condensate of phonons with continuous space-time-translation symmetry and zero-entropy. This state is energetically favored and decoherence-free over a wide temperature-range. Projection of the crystal state onto a basis of four electrically- and isotopically-distinct state-vectors accounts for isotope and pressure effects on the temperature of the ferroelectric-dielectric transition, as well as for the latent heat. At the microscopic level, an incoming wave realizes a transitory state either in the space of static positional parameters (elastic scattering) or in that of the symmetry species (energy transfer). Neutron diffraction, vibrational spectroscopy, relaxometry and neutron Compton scattering support the conclusion that proton and deuteron scatterers are separable exclusively through resonant energy-transfer.
Grand unification of neutron stars
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
NASA Astrophysics Data System (ADS)
Tarasov, A. N.
2014-03-01
In the framework of the generalized non-relativistic Fermi-liquid approach we study phase transitions in spatially uniform dense pure neutron matter from normal to superfluid states with a spin-triplet p-wave pairing (similar to anisotropic superfluid phases 3He-A1 and 3He-A2) in a steady and homogeneous strong magnetic field H (but |\\mu_{\\text{n}}| H\\ll E_{\\text{c}}<\\varepsilon_{\\text{F}}(n) , where \\mu_{\\text{n}} is the magnetic dipole moment of a neutron, E_{\\text{c}} is the cutoff energy and \\varepsilon_{\\text{F}}(n) is the Fermi energy in neutron matter with density of particles n). The previously derived general formulas (valid for the arbitrary parametrization of the effective Skyrme interaction in neutron matter) for phase transition (PT) temperatures T_{\\text{c}1,2}(n,H) (which are nonlinear functions of the density n and linear functions of the magnetic field H) are specified here for new generalized BSk20 and BSk21 parameterizations of the Skyrme forces (with additional terms dependent on the density n) in the interval 0.1\\cdot n_{0} < n<3.0\\cdot n_{0} , where n_{0}=0.17\\ \\text{fm}^{-3} is the nuclear density. Our main results are mathematical expressions and figures for PT temperatures in the absence of magnetic field, T_{\\text{c0,BSk20}}(n)< 0.17\\ \\text{MeV} and T_{\\text{c0,BSk21}}(n)< 0.064\\ \\text{MeV} (at E_{\\text{c}}=10\\ \\text{MeV} ), and T_{\\text{c1,2}}(n,H) in strong magnetic fields (which may approach to 10^{17}\\ \\text{G} or even more as in the liquid outer core of magnetars —strongly magnetized neutron stars). These are realistic non-monotone functions with a bell-shaped density profile.
Innovation Diffusion: Implications for Evaluation
ERIC Educational Resources Information Center
Ashley, Shena R.
2009-01-01
Whether looking at the spread and adoption of an intervention across a community, across multiple units, or within a single unit, an understanding of diffusion theory can help evaluators uncover patterns and impacts that might otherwise be overlooked. The theory alerts evaluators to examine why uptake of an intervention appeared different in…
Micromegas neutron beam monitor neutronics.
Stephan, Andrew C; Miller, Laurence F
2005-01-01
The Micromegas is a type of ionising radiation detector that consists of a gas chamber sandwiched between two parallel plate electrodes, with the gas chamber divided by a Frisch grid into drift and amplification gaps. Investigators have applied it to a number of different applications, such as charged particle, X-ray and neutron detection. A Micromegas device has been tested as a neutron beam monitor at CERN and is expected to be used for that purpose at the Spallation Neutron Source (SNS) under construction in Oak Ridge, TN. For the Micromegas to function effectively as neutron beam monitor, it should cause minimal disruption to the neutron beam in question. Specifically, it should scatter as few neutrons as possible and avoid neutron absorption when it does not contribute to generating useful information concerning the neutron beam. Here, we present the results of Monte Carlo calculations of the effect of different types of wall materials and detector gases on neutron beams and suggest methods for minimising disruption to the beam. PMID:16381746
Kirk, M.A.
1983-10-01
Through our recent experimental work on the neutron irradiation effects in Cu/sub 3/Au, we will compare fission and pulsed spallation neutron sources. Neutron characteristics of irradiation facilities at the Intense Pulsed Neutron Source (IPNS) and the CP-5 reactor (now closed down), are briefly described. Defect cascade size distributions from irradiations of Cu/sub 3/Au at both neutron sources illustrated by transmission electron micrographs of disordered zones. Radiation-enhanced diffusion experiments in Cu/sub 3/Au are discussed along with the effect of pulsed neutron irradiations.
Neutron star structure from QCD
NASA Astrophysics Data System (ADS)
Fraga, Eduardo S.; Kurkela, Aleksi; Vuorinen, Aleksi
2016-03-01
In this review article, we argue that our current understanding of the thermodynamic properties of cold QCD matter, originating from first principles calculations at high and low densities, can be used to efficiently constrain the macroscopic properties of neutron stars. In particular, we demonstrate that combining state-of-the-art results from Chiral Effective Theory and perturbative QCD with the current bounds on neutron star masses, the Equation of State of neutron star matter can be obtained to an accuracy better than 30% at all densities.
Diffusion of Distance Education in North Cyprus
ERIC Educational Resources Information Center
Isman, Aytekin; Dabaj, Fahme
2005-01-01
The purpose of the present paper is to explore how distance education has diffused in north Cyprus. In this paper, Rogers' diffusion theory (1995) was used to analyze the acceptance and implementation of distance education in institutions of higher learning in north Cyprus. The four main elements of the diffusion paradigm--the innovation,…
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.
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.
NASA Astrophysics Data System (ADS)
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 n0 approximation suggested by Mattis and Glasser [Rev. Mod. Phys. 70, 979 (1998)] is questioned if used beyond the A+B reaction-diffusion model.
NASA Astrophysics Data System (ADS)
Sinder, M.; Burshtein, Z.; Pelleg, J.
2014-04-01
We consider theoretically valence transformations of doping metal ions in oxide crystals induced by oxidation and reduction obtained by changes in the ambient oxygen partial pressure. Three types of oxygen vacancies are assumed to mediate transformations: neutral, singly ionized, and doubly ionized. We provide thermodynamic equilibrium analyses, yielding concentration relations among the oxygen vacancy, metal ions, holes and electrons as functions of the ambient oxygen pressure. The results suggest that experimental study of different species concentrations at thermodynamic equilibrium as functions of pressure and temperature should allow assessment of various reversible reaction constants controlling the process. In the Part II companion paper, the kinetic (diffusion) characteristics are considered in detail.
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
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.
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.
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.
Self-Diffusion in Amorphous Silicon
NASA Astrophysics Data System (ADS)
Strauß, Florian; Dörrer, Lars; Geue, Thomas; Stahn, Jochen; Koutsioubas, Alexandros; Mattauch, Stefan; Schmidt, Harald
2016-01-01
The present Letter reports on self-diffusion in amorphous silicon. Experiments were done on 29Si/natSi 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.
Self-Diffusion in Amorphous Silicon.
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
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.
NASA Astrophysics Data System (ADS)
Sinder, M.; Burshtein, Z.; Pelleg, J.
2014-04-01
We consider theoretically valence transformations of doping metal ions in oxide crystals induced by oxidation and reduction obtained by changes in the ambient oxygen partial pressure. Three types of oxygen vacancies are assumed to mediate transformations: neutral, singly ionized, and doubly ionized. In the companion part I paper we provide thermodynamic analyses yielding concentration relations among the oxygen vacancy, metal ions, holes and electrons, as functions of the ambient oxygen pressure. In the present companion part II paper we provide time dependent concentration profiles of the various species and reaction rate profiles. The diffusion exhibits a complex behavior; under some conditions, it may be described by a constant diffusivity, and is symmetric with respect to oxidation and reduction. However, under a wide range of conditions, the ionic state changes are highly asymmetric with respect to oxidation and reduction. For example, in the case of a neutral vacancy, a very narrow reaction front may establish during reduction. In the inverse (oxidation) process, however, the different species' profiles are quite smooth.
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.
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…
Reaction-diffusion waves in biology.
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
Public Good Diffusion Limits Microbial Mutualism
NASA Astrophysics Data System (ADS)
Menon, Rajita; Korolev, Kirill S.
2015-04-01
Standard game theory cannot describe microbial interactions mediated by diffusible molecules. Nevertheless, we show that one can still model microbial dynamics using game theory with parameters renormalized by diffusion. Contrary to expectations, greater sharing of metabolites reduces the strength of cooperation and leads to species extinction via a nonequilibrium phase transition. We report analytic results for the critical diffusivity and the length scale of species intermixing. Species producing slower public good is favored by selection when fitness saturates with nutrient concentration.
Magnetic field decay in isolated neutron stars
NASA Technical Reports Server (NTRS)
Goldreich, Peter; Reisenegger, Andreas
1992-01-01
Three mechanisms that promote the loss of magnetic flux from an isolated neutron star - Ohmic decay, ambipolar diffusion, and Hall drift - are investigated. Equations of motions are solved for charged particles in the presence of a magnetic field and a fixed background of neutrons, while allowing for the creation and destruction of particles by weak interactions. Although these equations apply to normal neutrons and protons, the present interpretations of their solutions are extended to cover cases of neutron superfluidity and proton superconductivity. The equations are manipulated to prove that, in the presence of a magnetic force, the charged particles cannot be simultaneously in magnetostatic equilibrium and chemical equilibrium with the neutrons. The application of the results to real neutron stars is discussed.
Modeling irradiation creep of graphite using rate theory
NASA Astrophysics Data System (ADS)
Sarkar, Apu; Eapen, Jacob; Raj, Anant; Murty, K. L.; Burchell, T. D.
2016-05-01
We have examined irradiation induced creep of graphite in the framework of transition state rate theory. Experimental data for two grades of nuclear graphite (H-337 and AGOT) have been analyzed to determine the stress exponent (n) and activation energy (Q) for plastic flow under irradiation. We show that the mean activation energy lies between 0.14 and 0.32 eV with a mean stress-exponent of 1.0 ± 0.2. A stress exponent of unity and the unusually low activation energies strongly indicate a diffusive defect transport mechanism for neutron doses in the range of 3-4 × 1022 n/cm2.
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.
Theory and application of the RAZOR two-dimensional continuous energy lattice physics code
Zerkle, M.L.; Abu-Shumays, I.K.; Ott, M.W.; Winwood, J.P.
1997-04-01
The theory and application of the RAZOR two-dimensional, continuous energy lattice physics code are discussed. RAZOR solves the continuous energy neutron transport equation in one- and two-dimensional geometries, and calculates equivalent few-group diffusion theory constants that rigorously account for spatial and spectral self-shielding effects. A dual energy resolution slowing down algorithm is used to reduce computer memory and disk storage requirements for the slowing down calculation. Results are presented for a 2D BWR pin cell depletion benchmark problem.
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.
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.
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.
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.