Simulation of nonlinear transient elastography: finite element model for the propagation of shear waves in homogeneous soft tissues.

Science.gov (United States)

Ye, W; Bel-Brunon, A; Catheline, S; Combescure, A; Rochette, M

2018-01-01

In this study, visco-hyperelastic Landau's model, which is widely used in acoustical physic field, is introduced into a finite element formulation. It is designed to model the nonlinear behaviour of finite amplitude shear waves in soft solids, typically, in biological tissues. This law is used in finite element models based on elastography, experiments reported in Jacob et al, the simulations results show a good agreement with the experimental study: It is observed in both that a plane shear wave generates only odd harmonics and a nonplane wave generates both odd and even harmonics in the spectral domain. In the second part, a parametric study is performed to analyse the influence of different factors on the generation of odd harmonics of plane wave. A quantitative relation is fitted between the odd harmonic amplitudes and the non-linear elastic parameter of Landau's model, which provides a practical guideline to identify the non-linearity of homogeneous tissues using elastography experiment. Copyright © 2017 John Wiley & Sons, Ltd.

Homogenized electromechanical properties of crystalline and ceramic relaxor ferroelectric 0.58Pb(Mg1/3Nb2/3)O3 0.42PbTiO3

Science.gov (United States)

Jayachandran, K. P.; Guedes, J. M.; Rodrigues, H. C.

2007-10-01

A modelling framework that incorporates the peculiarities of microstructural features, such as the spatial correlation of crystallographic orientations and morphological texture in piezoelectrics, is established. The mathematical homogenization theory of a piezoelectric medium is implemented using the finite element method by solving the coupled equilibrium electrical and mechanical fields. The dependence of the domain orientation on the macroscopic electromechanical properties of crystalline as well as polycrystalline ceramic relaxor ferroelectric 0.58Pb(Mg1/3Nb2/3)O3-0.42PbTiO3 (PMN-42% PT) is studied based on this model. The material shows large anisotropy in the piezoelectric coefficient ejK in its crystalline form. The homogenized electromechanical moduli of polycrystalline ceramic also exhibit significantly anisotropic behaviours. An optimum texture at which the piezoceramic exhibits its maximum longitudinal piezoelectric response is identified.

Accounting for Fiber Bending Effects in Homogenization of Long Fiber Reinforced Composites

DEFF Research Database (Denmark)

Poulios, Konstantinos; Niordson, Christian Frithiof

2015-01-01

The present work deals with homogenized finite-element models of long fiber reinforced composite materials in the context of studying compressive failure modes such as the formation of kink bands and fiber micro-buckling. Compared to finite-element models with an explicit discretization of the ma......The present work deals with homogenized finite-element models of long fiber reinforced composite materials in the context of studying compressive failure modes such as the formation of kink bands and fiber micro-buckling. Compared to finite-element models with an explicit discretization...... of the material micro-structure including individual fibers, homogenized models are computationally more efficient and hence more suitable for modeling of larger and complex structure. Nevertheless, the formulation of homogenized models is more complicated, especially if the bending stiffness of the reinforcing...... fibers is to be taken into account. In that case, so-called higher order strain terms need to be considered. In this paper, important relevant works from the literature are discussed and numerical results from a new homogenization model are presented. The new model accounts for two independent...

Finite Markov processes and their applications

CERN Document Server

Iosifescu, Marius

2007-01-01

A self-contained treatment of finite Markov chains and processes, this text covers both theory and applications. Author Marius Iosifescu, vice president of the Romanian Academy and director of its Center for Mathematical Statistics, begins with a review of relevant aspects of probability theory and linear algebra. Experienced readers may start with the second chapter, a treatment of fundamental concepts of homogeneous finite Markov chain theory that offers examples of applicable models.The text advances to studies of two basic types of homogeneous finite Markov chains: absorbing and ergodic ch

Precise magnetostatic field using the finite element method

International Nuclear Information System (INIS)

Nascimento, Francisco Rogerio Teixeira do

2013-01-01

The main objective of this work is to simulate electromagnetic fields using the Finite Element Method. Even in the easiest case of electrostatic and magnetostatic numerical simulation some problems appear when the nodal finite element is used. It is difficult to model vector fields with scalar functions mainly in non-homogeneous materials. With the aim to solve these problems two types of techniques are tried: the adaptive remeshing using nodal elements and the edge finite element that ensure the continuity of tangential components. Some numerical analysis of simple electromagnetic problems with homogeneous and non-homogeneous materials are performed using first, the adaptive remeshing based in various error indicators and second, the numerical solution of waveguides using edge finite element. (author)

Superfluid transition of homogeneous and trapped two-dimensional Bose gases.

Science.gov (United States)

Holzmann, Markus; Baym, Gordon; Blaizot, Jean-Paul; Laloë, Franck

2007-01-30

Current experiments on atomic gases in highly anisotropic traps present the opportunity to study in detail the low temperature phases of two-dimensional inhomogeneous systems. Although, in an ideal gas, the trapping potential favors Bose-Einstein condensation at finite temperature, interactions tend to destabilize the condensate, leading to a superfluid Kosterlitz-Thouless-Berezinskii phase with a finite superfluid mass density but no long-range order, as in homogeneous fluids. The transition in homogeneous systems is conveniently described in terms of dissociation of topological defects (vortex-antivortex pairs). However, trapped two-dimensional gases are more directly approached by generalizing the microscopic theory of the homogeneous gas. In this paper, we first derive, via a diagrammatic expansion, the scaling structure near the phase transition in a homogeneous system, and then study the effects of a trapping potential in the local density approximation. We find that a weakly interacting trapped gas undergoes a Kosterlitz-Thouless-Berezinskii transition from the normal state at a temperature slightly below the Bose-Einstein transition temperature of the ideal gas. The characteristic finite superfluid mass density of a homogeneous system just below the transition becomes strongly suppressed in a trapped gas.

On integral representation, relaxation and homogenization for unbounded functionals

International Nuclear Information System (INIS)

Carbone, L.; De Arcangelis, R.

1997-01-01

A theory of integral representation, relaxation and homogenization for some types of variational functionals taking extended real values and possibly being not finite also on large classes of regular functions is presented. Some applications to gradient constrained relaxation and homogenization problems are given

Development of Multi-Scale Finite Element Analysis Codes for High Formability Sheet Metal Generation

International Nuclear Information System (INIS)

Nnakamachi, Eiji; Kuramae, Hiroyuki; Ngoc Tam, Nguyen; Nakamura, Yasunori; Sakamoto, Hidetoshi; Morimoto, Hideo

2007-01-01

In this study, the dynamic- and static-explicit multi-scale finite element (F.E.) codes are developed by employing the homogenization method, the crystalplasticity constitutive equation and SEM-EBSD measurement based polycrystal model. These can predict the crystal morphological change and the hardening evolution at the micro level, and the macroscopic plastic anisotropy evolution. These codes are applied to analyze the asymmetrical rolling process, which is introduced to control the crystal texture of the sheet metal for generating a high formability sheet metal. These codes can predict the yield surface and the sheet formability by analyzing the strain path dependent yield, the simple sheet forming process, such as the limit dome height test and the cylindrical deep drawing problems. It shows that the shear dominant rolling process, such as the asymmetric rolling, generates ''high formability'' textures and eventually the high formability sheet. The texture evolution and the high formability of the newly generated sheet metal experimentally were confirmed by the SEM-EBSD measurement and LDH test. It is concluded that these explicit type crystallographic homogenized multi-scale F.E. code could be a comprehensive tool to predict the plastic induced texture evolution, anisotropy and formability by the rolling process and the limit dome height test analyses

Peripheral nerve magnetic stimulation: influence of tissue non-homogeneity

Directory of Open Access Journals (Sweden)

Papazov Sava P

2003-12-01

Full Text Available Abstract Background Peripheral nerves are situated in a highly non-homogeneous environment, including muscles, bones, blood vessels, etc. Time-varying magnetic field stimulation of the median and ulnar nerves in the carpal region is studied, with special consideration of the influence of non-homogeneities. Methods A detailed three-dimensional finite element model (FEM of the anatomy of the wrist region was built to assess the induced currents distribution by external magnetic stimulation. The electromagnetic field distribution in the non-homogeneous domain was defined as an internal Dirichlet problem using the finite element method. The boundary conditions were obtained by analysis of the vector potential field excited by external current-driven coils. Results The results include evaluation and graphical representation of the induced current field distribution at various stimulation coil positions. Comparative study for the real non-homogeneous structure with anisotropic conductivities of the tissues and a mock homogeneous media is also presented. The possibility of achieving selective stimulation of either of the two nerves is assessed. Conclusion The model developed could be useful in theoretical prediction of the current distribution in the nerves during diagnostic stimulation and therapeutic procedures involving electromagnetic excitation. The errors in applying homogeneous domain modeling rather than real non-homogeneous biological structures are demonstrated. The practical implications of the applied approach are valid for any arbitrary weakly conductive medium.

Uniqueness in the inverse boundary value problem for piecewise homogeneous anisotropic elasticity

OpenAIRE

Cârstea, Cătălin I.; Honda, Naofumi; Nakamura, Gen

2016-01-01

Consider a three dimensional piecewise homogeneous anisotropic elastic medium $\\Omega$ which is a bounded domain consisting of a finite number of bounded subdomains $D_\\alpha$, with each $D_\\alpha$ a homogeneous elastic medium. One typical example is a finite element model with elements with curvilinear interfaces for an ansiotropic elastic medium. Assuming the $D_\\alpha$ are known and Lipschitz, we are concerned with the uniqueness in the inverse boundary value problem of identifying the ani...

World directory of crystallographers and of other scientists employing crystallographic methods

CERN Document Server

Filippini, G; Hashizume, H; Torriani, I; Duax, W

1995-01-01

The 9th edition of the World Directory of Crystallographers and of Other Scientists Employing Crystallographic Methods, which contains 7907 entries embracing 72 countries, differs considerably from the 8th edition, published in 1990. The content has been updated, and the methods used to acquire the information presented and to produce this new edition of the Directory have involved the latest advances in technology. The Directory is now also available as a regularly updated electronic database, accessible via e-mail, Telnet, Gopher, World-Wide Web, and Mosaic. Full details are given in an Appendix to the printed edition.

Size-dependent homogenized diffusion parameters for a finite lattice

International Nuclear Information System (INIS)

Premuda, F.

1980-01-01

A numerical technique is reported for solving the transcendental equation for unknown Ysub(n+1). The solution is expressed in terms of quantities related to Ysub(n). This is an iterative reversion technique which has already been proven to converge rapidly in the homogeneous slab problem considered herein. (author)

Influence of local crystallographic configuration on microcrack initiation in fatigued 316LN stainless steel: Experiments and crystal plasticity finite elements simulations

Energy Technology Data Exchange (ETDEWEB)

Signor, L., E-mail: loic.signor@ensma.fr [Institut Pprime (UPR3346) CNRS/ISAE-ENSMA/Poitiers University (France); Villechaise, P.; Ghidossi, T.; Lacoste, E.; Gueguen, M. [Institut Pprime (UPR3346) CNRS/ISAE-ENSMA/Poitiers University (France); Courtin, S. [AREVA NP (France)

2016-01-01

Local crystallographic configurations (also referred to as local micro-texture) which promote transgranular micro-crack initiation in 316LN stainless steel in low cycle fatigue are studied. Specimens were subjected to tension-compression with constant plastic strain amplitude, in air, at room temperature, during 5000 cycles (i.e. about 20% of the fatigue life). The first part of this work is devoted to a statistical analysis of slip marks and cracks observed at surface of one fatigued specimen using scanning electron microscope (SEM), in a region composed of about 1000 grains. 95 micro-cracks initiated along persistent slip markings detected in this region are analyzed with respect to different characteristics of grains, especially crystallographic orientation, measured using electron backscatter diffraction (EBSD). From the detailed analysis of the numerous data derived from these observations and measurements performed only at surface, the two main significant factors which are found to favour crack formation are the grain size and the orientation of the activated slip system with respect to the surface. Indeed, the mean size of grains which contain cracks is almost twice the one of the remaining grains. Moreover, for most grains in which cracks are observed, the angle between the normal to the surface and the activated Burgers vector (resp. the normal to the activated slip plane) lies in the range [30°, 50°] (resp. [55°, 70°]). No other characteristic was found to provide significant and direct information in order to identify initiation sites. Thus, in the second part of this work, the analysis of initiation sites is performed using additional information relative to three-dimensional (3D) aspects of the microstructure. 3D characterisation of the polycrystalline microstructure and some cracks in one fatigued specimen was achieved using serial-sectioning technique combined with SEM and EBSD. As an example, the study of one specific crack and its surrounding

Characterization of a defective PbWO4 crystal cut along the a-c crystallographic plane: structural assessment and a novel photoelastic stress analysis

Science.gov (United States)

Montalto, L.; Natali, P. P.; Daví, F.; Mengucci., P.; Paone, N.; Rinaldi, D.

2017-12-01

Among scintillators, the PWO is one of the most widely used, for instance in CMS calorimeter at CERN and PANDA project. Crystallographic structure and chemical composition as well as residual stress condition, are indicators of homogeneity and good quality of the crystal. In this paper, structural characterization of a defective PbWO4 (PWO) crystal has been performed by X-ray Diffraction (XRD), Energy Dispersive Spectroscopy (EDS) and Photoelasticity in the unusual (a, c) crystallographic plane. XRD and EDS analysis have been used to investigate crystallographic orientation and chemical composition, while stress distribution, which indicates macroscopic inhomogeneities and defects, has been obtained by photoelastic approaches, in Conoscopic and Sphenoscopic configuration. Since the sample is cut along the (a, c) crystallographic plane, a new method is proposed for the interpretation of the fringe pattern. The structural analysis has detected odds from the nominal lattice dimension, which can be attributed to the strong presence of Pb and W. A strong inhomogeneity over the crystal sample has been revealed by the photoelastic inspection. The results give reliability to the proposed procedure which is exploitable in crystals with other structures.

Study on critical effect in lattice homogenization via Monte Carlo method

International Nuclear Information System (INIS)

Li Mancang; Wang Kan; Yao Dong

2012-01-01

In contrast to the traditional deterministic lattice codes, generating the homogenization multigroup constants via Monte Carlo method overcomes the difficulties in geometry and treats energy in continuum. thus provides more accuracy parameters. An infinite lattice of identical symmetric motives is usually assumed when performing the homogenization. However, the finite size of a reactor is reality and it should influence the lattice calculation. In practice of the homogenization with Monte Carlo method, B N theory is applied to take the leakage effect into account. The fundamental mode with the buckling B is used as a measure of the finite size. The critical spectrum in the solution of 0-dimensional fine-group B 1 equations is used to correct the weighted spectrum for homogenization. A PWR prototype core is examined to verify that the presented method indeed generates few group constants effectively. In addition, a zero power physical experiment verification is performed. The results show that B N theory is adequate for leakage correction in the multigroup constants generation via Monte Carlo method. (authors)

A numerical homogenization method for heterogeneous, anisotropic elastic media based on multiscale theory

KAUST Repository

Gao, Kai

2015-06-05

The development of reliable methods for upscaling fine-scale models of elastic media has long been an important topic for rock physics and applied seismology. Several effective medium theories have been developed to provide elastic parameters for materials such as finely layered media or randomly oriented or aligned fractures. In such cases, the analytic solutions for upscaled properties can be used for accurate prediction of wave propagation. However, such theories cannot be applied directly to homogenize elastic media with more complex, arbitrary spatial heterogeneity. Therefore, we have proposed a numerical homogenization algorithm based on multiscale finite-element methods for simulating elastic wave propagation in heterogeneous, anisotropic elastic media. Specifically, our method used multiscale basis functions obtained from a local linear elasticity problem with appropriately defined boundary conditions. Homogenized, effective medium parameters were then computed using these basis functions, and the approach applied a numerical discretization that was similar to the rotated staggered-grid finite-difference scheme. Comparisons of the results from our method and from conventional, analytical approaches for finely layered media showed that the homogenization reliably estimated elastic parameters for this simple geometry. Additional tests examined anisotropic models with arbitrary spatial heterogeneity in which the average size of the heterogeneities ranged from several centimeters to several meters, and the ratio between the dominant wavelength and the average size of the arbitrary heterogeneities ranged from 10 to 100. Comparisons to finite-difference simulations proved that the numerical homogenization was equally accurate for these complex cases.

Diffusion piecewise homogenization via flux discontinuity ratios

International Nuclear Information System (INIS)

Sanchez, Richard; Dante, Giorgio; Zmijarevic, Igor

2013-01-01

We analyze piecewise homogenization with flux-weighted cross sections and preservation of averaged currents at the boundary of the homogenized domain. Introduction of a set of flux discontinuity ratios (FDR) that preserve reference interface currents leads to preservation of averaged region reaction rates and fluxes. We consider the class of numerical discretizations with one degree of freedom per volume and per surface and prove that when the homogenization and computing meshes are equal there is a unique solution for the FDRs which exactly preserve interface currents. For diffusion sub-meshing we introduce a Jacobian-Free Newton-Krylov method and for all cases considered obtain an 'exact' numerical solution (eight digits for the interface currents). The homogenization is completed by extending the familiar full assembly homogenization via flux discontinuity factors to the sides of regions laying on the boundary of the piecewise homogenized domain. Finally, for the familiar nodal discretization we numerically find that the FDRs obtained with no sub-mesh (nearly at no cost) can be effectively used for whole-core diffusion calculations with sub-mesh. This is not the case, however, for cell-centered finite differences. (authors)

A generalized model for homogenized reflectors

International Nuclear Information System (INIS)

Pogosbekyan, Leonid; Kim, Yeong Il; Kim, Young Jin; Joo, Hyung Kook

1996-01-01

A new concept of equivalent homogenization is proposed. The concept employs new set of homogenized parameters: homogenized cross sections (XS) and interface matrix (IM), which relates partial currents at the cell interfaces. The idea of interface matrix generalizes the idea of discontinuity factors (DFs), proposed and developed by K. Koebke and K. Smith. The method of K. Smith can be simulated within framework of new method, while the new method approximates hetero-geneous cell better in case of the steep flux gradients at the cell interfaces. The attractive shapes of new concept are:improved accuracy, simplicity of incorporation in the existing codes, equal numerical expenses in comparison to the K. Smith's approach. The new concept is useful for: (a) explicit reflector/baffle simulation; (b)control blades simulation; (c) mixed UO 2 /MOX core simulation. The offered model has been incorporated in the finite difference code and in the nodal code PANBOX. The numerical results show good accuracy of core calculations and insensitivity of homogenized parameters with respect to in-core conditions

A finite element model of ferroelectric/ferroelastic polycrystals

Energy Technology Data Exchange (ETDEWEB)

HWANG,STEPHEN C.; MCMEEKING,ROBERT M.

2000-02-17

A finite element model of polarization switching in a polycrystalline ferroelectric/ferroelastic ceramic is developed. It is assumed that a crystallite switches if the reduction in potential energy of the polycrystal exceeds a critical energy barrier per unit volume of switching material. Each crystallite is represented by a finite element with the possible dipole directions assigned randomly subject to crystallographic constraints. The model accounts for both electric field induced (i.e. ferroelectric) switching and stress induced (i.e. ferroelastic) switching with piezoelectric interactions. Experimentally measured elastic, dielectric, and piezoelectric constants are used consistently, but different effective critical energy barriers are selected phenomenologically. Electric displacement versus electric field, strain versus electric field, stress versus strain, and stress versus electric displacement loops of a ceramic lead lanthanum zirconate titanate (PLZT) are modeled well below the Curie temperature.

Non probabilistic solution of uncertain neutron diffusion equation for imprecisely defined homogeneous bare reactor

International Nuclear Information System (INIS)

Chakraverty, S.; Nayak, S.

2013-01-01

Highlights: • Uncertain neutron diffusion equation of bare square homogeneous reactor is studied. • Proposed interval arithmetic is extended for fuzzy numbers. • The developed fuzzy arithmetic is used to handle uncertain parameters. • Governing differential equation is modelled by modified fuzzy finite element method. • Fuzzy critical eigenvalues and effective multiplication factors are investigated. - Abstract: The scattering of neutron collision inside a reactor depends upon geometry of the reactor, diffusion coefficient and absorption coefficient etc. In general these parameters are not crisp and hence we get uncertain neutron diffusion equation. In this paper we have investigated the above equation for a bare square homogeneous reactor. Here the uncertain governing differential equation is modelled by a modified fuzzy finite element method. Using modified fuzzy finite element method, obtained eigenvalues and effective multiplication factors are studied. Corresponding results are compared with the classical finite element method in special cases and various uncertain results have been discussed

The Crystallographic Information File (CIF

Directory of Open Access Journals (Sweden)

I D Brown

2006-11-01

Full Text Available The Crystallographic Information File (CIF, owned by the International Union of Crystallography, is a file structure based on tag-value ASCII pairs with tags defined in machine-readable dictionaries. The crystallographic community publishes and archives large quantities of numeric information generated by crystal structure determinations, and CIF's acceptance was assured by its adoption as the submission format for Acta Crystallographica and by the obvious needs of the community. CIF's strength lies in its dictionaries, which define most of the concepts of crystallography; its weakness is the difficulty of writing software that exploits its full potential.

Infinite dimensional spherical analysis and harmonic analysis for groups acting on homogeneous trees

DEFF Research Database (Denmark)

Axelgaard, Emil

In this thesis, we study groups of automorphisms for homogeneous trees of countable degree by using an inductive limit approach. The main focus is the thourough discussion of two Olshanski spherical pairs consisting of automorphism groups for a homogeneous tree and a homogeneous rooted tree, resp...... finite. Finally, we discuss conditionally positive definite functions on the groups and use the generalized Bochner-Godement theorem for Olshanski spherical pairs to prove Levy-Khinchine formulas for both of the considered pairs....

Homogenization of steady-state creep of porous metals using three-dimensional microstructural reconstructions

DEFF Research Database (Denmark)

Kwok, Kawai; Boccaccini, Dino; Persson, Åsa Helen

2016-01-01

The effective steady-state creep response of porous metals is studied by numerical homogenization and analytical modeling in this paper. The numerical homogenization is based on finite element models of three-dimensional microstructures directly reconstructed from tomographic images. The effects ...... model, and closely matched by the Gibson-Ashby compression and the Ramakrishnan-Arunchalam creep models. [All rights reserved Elsevier]....

The combinational structure of non-homogeneous Markov chains with countable states

Directory of Open Access Journals (Sweden)

A. Mukherjea

1983-01-01

Full Text Available Let P(s,t denote a non-homogeneous continuous parameter Markov chain with countable state space E and parameter space [a,b], −∞0}. It is shown in this paper that R(s,t is reflexive, transitive, and independent of (s,t, shomogeneity condition holds. It is also shown that the relation R(s,t, unlike in the finite state space case, cannot be expressed even as an infinite (countable product of reflexive transitive relations for certain non-homogeneous chains in the case when E is infinite.

Collision Probabilities for Finite Cylinders and Cuboids

Energy Technology Data Exchange (ETDEWEB)

Carlvik, I

1967-05-15

Analytical formulae have been derived for the collision probabilities of homogeneous finite cylinders and cuboids. The formula for the finite cylinder contains double integrals, and the formula for the cuboid only single integrals. Collision probabilities have been calculated by means of the formulae and compared with values obtained by other authors. It was found that the calculations using the analytical formulae are much quicker and give higher accuracy than Monte Carlo calculations.

Crystallographic properties of fertilizer compounds

Energy Technology Data Exchange (ETDEWEB)

Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

1991-02-01

This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

Homogenization on Multi-Materials’ Elements: Application to Printed Circuit Boards and Warpage Analysis

Directory of Open Access Journals (Sweden)

Araújo Manuel

2016-01-01

Full Text Available Multi-material domains are often found in industrial applications. Modelling them can be computationally very expensive due to meshing requirements. The finite element properties comprising different materials are hardly accurate. In this work, a new homogenization method that simplifies the computation of the homogenized Young modulus, Poisson ratio and thermal expansion coefficient is proposed, and applied to composite-like material on a printed circuit board. The results show a good properties correspondence between the homogenized domain and the real geometry simulation.

Finite deformation of incompressible fiber-reinforced elastomers: A computational micromechanics approach

Science.gov (United States)

Moraleda, Joaquín; Segurado, Javier; LLorca, Javier

2009-09-01

The in-plane finite deformation of incompressible fiber-reinforced elastomers was studied using computational micromechanics. Composite microstructure was made up of a random and homogeneous dispersion of aligned rigid fibers within a hyperelastic matrix. Different matrices (Neo-Hookean and Gent), fibers (monodisperse or polydisperse, circular or elliptical section) and reinforcement volume fractions (10-40%) were analyzed through the finite element simulation of a representative volume element of the microstructure. A successive remeshing strategy was employed when necessary to reach the large deformation regime in which the evolution of the microstructure influences the effective properties. The simulations provided for the first time "quasi-exact" results of the in-plane finite deformation for this class of composites, which were used to assess the accuracy of the available homogenization estimates for incompressible hyperelastic composites.

Group-invariant finite Fourier transforms

International Nuclear Information System (INIS)

Shenefelt, M.H.

1988-01-01

The computation of the finite Fourier transform of functions is one of the most used computations in crystallography. Since the Fourier transform involved in 3-dimensional, the size of the computation becomes very large even for relatively few sample points along each edge. In this thesis, there is a family of algorithms that reduce the computation of Fourier transform of functions respecting the symmetries. Some properties of these algorithms are: (1) The algorithms make full use of the group of symmetries of a crystal. (2) The algorithms can be factored and combined according to the prime factorization of the number of points in the sample space. (3) The algorithms are organized into a family using the group structure of the crystallographic groups to make iterative procedures possible

Finiteness of Lorentzian 10j symbols and partition functions

International Nuclear Information System (INIS)

Christensen, J Daniel

2006-01-01

We give a short and simple proof that the Lorentzian 10j symbol, which forms a key part of the Barrett-Crane model of Lorentzian quantum gravity, is finite. The argument is very general, and applies to other integrals. For example, we show that the Lorentzian and Riemannian causal 10j symbols are finite, despite their singularities. Moreover, we show that integrals that arise in Cherrington's work are finite. Cherrington has shown that this implies that the Lorentzian partition function for a single triangulation is finite, even for degenerate triangulations. Finally, we also show how to use these methods to prove finiteness of integrals based on other graphs and other homogeneous domains

Demonstration of finite element simulations in MOOSE using crystallographic models of irradiation hardening and plastic deformation

Energy Technology Data Exchange (ETDEWEB)

Patra, Anirban [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wen, Wei [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Martinez Saez, Enrique [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Tome, Carlos [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-31

This report describes the implementation of a crystal plasticity framework (VPSC) for irradiation hardening and plastic deformation in the finite element code, MOOSE. Constitutive models for irradiation hardening and the crystal plasticity framework are described in a previous report [1]. Here we describe these models briefly and then describe an algorithm for interfacing VPSC with finite elements. Example applications of tensile deformation of a dog bone specimen and a 3D pre-irradiated bar specimen performed using MOOSE are demonstrated.

Precise magnetostatic field using the finite element method; Calculo de campos magnetostaticos com precisao utilizando o metodo dos elementos finitos

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Francisco Rogerio Teixeira do

2013-07-01

The main objective of this work is to simulate electromagnetic fields using the Finite Element Method. Even in the easiest case of electrostatic and magnetostatic numerical simulation some problems appear when the nodal finite element is used. It is difficult to model vector fields with scalar functions mainly in non-homogeneous materials. With the aim to solve these problems two types of techniques are tried: the adaptive remeshing using nodal elements and the edge finite element that ensure the continuity of tangential components. Some numerical analysis of simple electromagnetic problems with homogeneous and non-homogeneous materials are performed using first, the adaptive remeshing based in various error indicators and second, the numerical solution of waveguides using edge finite element. (author)

Homogenization of long fiber reinforced composites including fiber bending effects

DEFF Research Database (Denmark)

Poulios, Konstantinos; Niordson, Christian Frithiof

2016-01-01

This paper presents a homogenization method, which accounts for intrinsic size effects related to the fiber diameter in long fiber reinforced composite materials with two independent constitutive models for the matrix and fiber materials. A new choice of internal kinematic variables allows...... of the reinforcing fibers is captured by higher order strain terms, resulting in an accurate representation of the micro-mechanical behavior of the composite. Numerical examples show that the accuracy of the proposed model is very close to a non-homogenized finite-element model with an explicit discretization...

Electrochemical performance of mixed crystallographic phase nanotubes and nanosheets of titania and titania-carbon/silver composites for lithium-ion batteries

International Nuclear Information System (INIS)

Das, Shyamal K.; Bhattacharyya, Aninda J.

2011-01-01

Highlights: → Carbon wired TiO 2 nanotubes as anode for lithium ion batteries. → Mixed phase nanotubes show higher energy and power density than titania nanosheets. → Lithium storage and phase stabilization influenced by morphology of carbon coating. - Abstract: The role of homogeneity in ex situ grown conductive coatings and dimensionality in the lithium storage properties of TiO 2 is discussed here. TiO 2 nanotube and nanosheet comprising of mixed crystallographic phases of anatase and TiO 2 (B) have been synthesized by an optimized hydrothermal method. Surface modifications of TiO 2 nanotube are realized via coating the nanotube with Ag nanoparticles and amorphous carbon. The first discharge cycle capacity (at current rate = 10 mA g -1 ) for TiO 2 nanotube and nanosheet were 355 mAh g -1 and 225 mAh g -1 , respectively. The conductive surface coating stabilized the titania crystallographic structure during lithium insertion-deinsertion processes via reduction in the accessibility of lithium ions to the trapping sites. The irreversible capacity is beneficially minimized from 110 mAh g -1 for TiO 2 nanotubes to 96 mAh g -1 and 57 mAh g -1 respectively for Ag and carbon modified TiO 2 nanotubes. The homogeneously coated amorphous carbon over TiO 2 renders better lithium battery performance than randomly distributed Ag nanoparticles coated TiO 2 due to efficient hopping of electrons.

Global crystallographic textures obtained by neutron and synchrotron radiation

International Nuclear Information System (INIS)

Brokmeier, Heinz-Guenter

2006-01-01

Global crystallographic textures belong to the main characteristic parameters of engineering materials. The global crystallographic texture is always the average texture of a well-defined sample volume which is representative to solve practical engineering problems. Thus a beam having a high penetration power is needed available as neutron or high energetic X-ray radiation. Texture type and texture sharpness are of great importance for materials properties such as the deep drawing behaviour, one of the basic techniques in many industries. Advantages and disadvantages of both radiations make them complementary for measuring crystallographic textures in a wide range of materials

Using Floquet periodicity to easily calculate dispersion curves and wave structures of homogeneous waveguides

Science.gov (United States)

Hakoda, Christopher; Rose, Joseph; Shokouhi, Parisa; Lissenden, Clifford

2018-04-01

Dispersion curves are essential to any guided-wave-related project. The Semi-Analytical Finite Element (SAFE) method has become the conventional way to compute dispersion curves for homogeneous waveguides. However, only recently has a general SAFE formulation for commercial and open-source software become available, meaning that until now SAFE analyses have been variable and more time consuming than desirable. Likewise, the Floquet boundary conditions enable analysis of waveguides with periodicity and have been an integral part of the development of metamaterials. In fact, we have found the use of Floquet boundary conditions to be an extremely powerful tool for homogeneous waveguides, too. The nuances of using periodic boundary conditions for homogeneous waveguides that do not exhibit periodicity are discussed. Comparisons between this method and SAFE are made for selected homogeneous waveguide applications. The COMSOL Multiphysics software is used for the results shown, but any standard finite element software that can implement Floquet periodicity (user-defined or built-in) should suffice. Finally, we identify a number of complex waveguides for which dispersion curves can be found with relative ease by using the periodicity inherent to the Floquet boundary conditions.

Crystallographic theory of the martensitic transformation

Directory of Open Access Journals (Sweden)

Edwar A. Torres-López

2014-08-01

Full Text Available The martensitic transformation is one of the most researched topics in the materials science during the 20th century. The second half of this century was mainly remembered by the development of several theories related with the kinetics of phase transformation, the mechanisms involved in the nucleation phenomenon, and the way as the crystallographic change is produced. In this paper are described the fundamental concepts that are defined in the crystallographic framework of the martensitic transformation. The study is focused on the application of the most outstanding crystallographic models: the Bain; the Wechsler, Lieberman & Read; and the Bowles & Mackenzie. The topic is presented based upon the particular features of the martensitic transformation, such as its non-diffusional character, type of interface between parent (austenite and product (martensite phases, the formation of substructural defects, and the shape change; all of these features are mathematically described by equations aimed to predict how the transformation will take place rather than to explain the actual movement of the atoms within the structure. This mathematical development is known as the Phenomenological Theory of Martensite Crystallography (PTMC.

Finite-time stabilization for a class of nonholonomic feedforward systems subject to inputs saturation.

Science.gov (United States)

Gao, Fangzheng; Yuan, Ye; Wu, Yuqiang

2016-09-01

This paper studies the problem of finite-time stabilization by state feedback for a class of uncertain nonholonomic systems in feedforward-like form subject to inputs saturation. Under the weaker homogeneous condition on systems growth, a saturated finite-time control scheme is developed by exploiting the adding a power integrator method, the homogeneous domination approach and the nested saturation technique. Together with a novel switching control strategy, the designed saturated controller guarantees that the states of closed-loop system are regulated to zero in a finite time without violation of the constraint. As an application of the proposed theoretical results, the problem of saturated finite-time control for vertical wheel on rotating table is solved. Simulation results are given to demonstrate the effectiveness of the proposed method. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Parquet theory of finite temperature boson systems

International Nuclear Information System (INIS)

He, H.W.

1992-01-01

In this dissertation, the author uses the parquet summation for the two-body vertex as the framework for a perturbation theory of finite-temperature homogeneous boson systems. The present formalism is a first step toward a full description of the thermodynamic behavior of a finite temperature boson system through parquet summation. The current approximation scheme focuses on a system below the Bose-Einstein condensation temperature and considers only the contribution from Bogoliubov excitations out of a boson condensate. Comparison with the finite temperature variational theory by Campbell et al. shows strong similarities between variational theory and the current theory. Numerical results from a 4 He system and a nuclear system are discussed

Y-TZP zirconia regeneration firing: Microstructural and crystallographic changes after grinding.

Science.gov (United States)

Ryan, Daniel Patrick Obelenis; Fais, Laiza Maria Grassi; Antonio, Selma Gutierrez; Hatanaka, Gabriel Rodrigues; Candido, Lucas Miguel; Pinelli, Ligia Antunes Pereira

2017-07-26

This study evaluated microstructural and crystallographic phase changes after grinding (G) and regeneration firing/anneling (R) of Y-TZP ceramics. Thirty five bars (Lava TM and Ice Zirkon) were divided: Y-TZP pre-sintered, control (C), regeneration firing (R), dry grinding (DG), dry grinding+regeneration firing (DGR), wet grinding (WG) and wet grinding+regeneration firing (WGR). Grinding was conducted using a diamond bur and annealing at 1,000°C. The microstructure was analyzed by SEM and the crystalline phases by X-ray diffraction (XRD). XRD showed that pre-sintered specimens contained tetragonal and monoclinic phases, while groups C and R showed tetragonal, cubic and monoclinic phases. After grinding, the cubic phase was eliminated in all groups. Annealing (DGR and WGR) resulted in only tetragonal phase. SEM showed semi-circular cracks after grinding and homogenization of particles after annealing. After grinding, surfaces show tetragonal and monoclinic phases and R can be assumed to be necessary prior to porcelain layering when grinding is performed.

Rigid Finite Element Method in Analysis of Dynamics of Offshore Structures

CERN Document Server

Wittbrodt, Edmund; Maczyński, Andrzej; Wojciech, Stanisław

2013-01-01

This book describes new methods developed for modelling dynamics of machines commonly used in the offshore industry. These methods are based both on the rigid finite element method, used for the description of link deformations, and on homogeneous transformations and joint coordinates, which is applied to the modelling of multibody system dynamics. In this monograph, the bases of the rigid finite element method  and homogeneous transformations are introduced. Selected models for modelling dynamics of offshore devices are then verified both by using commercial software, based on the finite element method, as well as by using additional methods. Examples of mathematical models of offshore machines, such as a gantry crane for Blowout-Preventer (BOP) valve block transportation, a pedestal crane with shock absorber, and pipe laying machinery are presented. Selected problems of control in offshore machinery as well as dynamic optimization in device control are also discussed. Additionally, numerical simulations of...

Ab initio molecular dynamics in a finite homogeneous electric field.

Science.gov (United States)

Umari, P; Pasquarello, Alfredo

2002-10-07

We treat homogeneous electric fields within density functional calculations with periodic boundary conditions. A nonlocal energy functional depending on the applied field is used within an ab initio molecular dynamics scheme. The reliability of the method is demonstrated in the case of bulk MgO for the Born effective charges, and the high- and low-frequency dielectric constants. We evaluate the static dielectric constant by performing a damped molecular dynamics in an electric field and avoiding the calculation of the dynamical matrix. Application of this method to vitreous silica shows good agreement with experiment and illustrates its potential for systems of large size.

Recovery of crystallographic texture in remineralized dental enamel.

Science.gov (United States)

Siddiqui, Samera; Anderson, Paul; Al-Jawad, Maisoon

2014-01-01

Dental caries is the most prevalent disease encountered by people of all ages around the world. Chemical changes occurring in the oral environment during the caries process alter the crystallography and microstructure of dental enamel resulting in loss of mechanical function. Little is known about the crystallographic effects of demineralization and remineralization. The motivation for this study was to develop understanding of the caries process at the crystallographic level in order to contribute towards a long term solution. In this study synchrotron X-ray diffraction combined with scanning electron microscopy and scanning microradiography have been used to correlate enamel crystallography, microstructure and mineral concentration respectively in enamel affected by natural caries and following artificial demineralization and remineralization regimes. In particular, the extent of destruction and re-formation of this complex structure has been measured. 2D diffraction patterns collected at the European Synchrotron Radiation Facility were used to quantify changes in the preferred orientation (crystallographic texture) and position of the (002) Bragg reflection within selected regions of interest in each tooth slice, and then correlated with the microstructure and local mineral mass. The results revealed that caries and artificial demineralization cause a large reduction in crystallographic texture which is coupled with the loss of mineral mass. Remineralization restores the texture to the original level seen in healthy enamel and restores mineral density. The results also showed that remineralization promotes ordered formation of new crystallites and growth of pre-existing crystallites which match the preferred orientation of healthy enamel. Combining microstructural and crystallographic characterization aids the understanding of caries and erosion processes and assists in the progress towards developing therapeutic treatments to allow affected enamel to regain

Salty popcorn in a homogeneous low-dimensional toy model of holographic QCD

International Nuclear Information System (INIS)

Elliot-Ripley, Matthew

2017-01-01

Recently, a homogeneous ansatz has been used to study cold dense nuclear matter in the Sakai–Sugimoto model of holographic QCD. To justify this homogeneous approximation we here investigate a homogeneous ansatz within a low-dimensional toy version of Sakai–Sugimoto to study finite baryon density configurations and compare it to full numerical solutions. We find the ansatz corresponds to enforcing a dyon salt arrangement in which the soliton solutions are split into half-soliton layers. Within this ansatz we find analogues of the proposed baryonic popcorn transitions, in which solutions split into multiple layers in the holographic direction. The homogeneous results are found to qualitatively match the full numerical solutions, lending confidence to the homogeneous approximations of the full Sakai–Sugimoto model. In addition, we find exact compact solutions in the high density, flat space limit which demonstrate the existence of further popcorn transitions to three layers and beyond. (paper)

A Journey into Reciprocal Space; A crystallographer's perspective

Science.gov (United States)

Glazer, A. M.

2017-10-01

This book introduces undergraduate and graduate students to a crystallographer's view of real and reciprocal space, a concept that has been of particular use by crystallographers to understand the patterns of spots when x-rays are diffracted by crystals. It then proceeds to develop the concept in a form suitable for physics applications; such as how solid-state physicists use reciprocal space to explain various solid-state properties such as thermal and electrical phenomena.

Homogenization-based interval analysis for structural-acoustic problem involving periodical composites and multi-scale uncertain-but-bounded parameters.

Science.gov (United States)

Chen, Ning; Yu, Dejie; Xia, Baizhan; Liu, Jian; Ma, Zhengdong

2017-04-01

This paper presents a homogenization-based interval analysis method for the prediction of coupled structural-acoustic systems involving periodical composites and multi-scale uncertain-but-bounded parameters. In the structural-acoustic system, the macro plate structure is assumed to be composed of a periodically uniform microstructure. The equivalent macro material properties of the microstructure are computed using the homogenization method. By integrating the first-order Taylor expansion interval analysis method with the homogenization-based finite element method, a homogenization-based interval finite element method (HIFEM) is developed to solve a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters. The corresponding formulations of the HIFEM are deduced. A subinterval technique is also introduced into the HIFEM for higher accuracy. Numerical examples of a hexahedral box and an automobile passenger compartment are given to demonstrate the efficiency of the presented method for a periodical composite structural-acoustic system with multi-scale uncertain-but-bounded parameters.

A preliminary neutron crystallographic study of thaumatin

Energy Technology Data Exchange (ETDEWEB)

Teixeira, Susana C. M. [ILL-EMBL Deuteration Laboratory, Partnership for Structural Biology, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom); Blakeley, Matthew P. [Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); Leal, Ricardo M. F. [ILL-EMBL Deuteration Laboratory, Partnership for Structural Biology, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom); ESRF, 6 Rue Jules Horowitz, BP-220, 38043 Grenoble (France); Mitchell, Edward P. [EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom); ESRF, 6 Rue Jules Horowitz, BP-220, 38043 Grenoble (France); Forsyth, V. Trevor, E-mail: tforsyth@ill.fr [ILL-EMBL Deuteration Laboratory, Partnership for Structural Biology, 6 Rue Jules Horowitz, 38042 Grenoble (France); Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); EPSAM and ISTM, Keele University, Staffordshire ST5 5BG (United Kingdom)

2008-05-01

Preliminary neutron crystallographic data from the sweet protein thaumatin have been recorded using the LADI-III diffractometer at the Institut Laue Langevin (ILL). The results illustrate the feasibility of a full neutron structural analysis aimed at further understanding the molecular basis of the perception of sweet taste. Such an analysis will exploit the use of perdeuterated thaumatin. A preliminary neutron crystallographic study of the sweet protein thaumatin is presented. Large hydrogenated crystals were prepared in deuterated crystallization buffer using the gel-acupuncture method. Data were collected to a resolution of 2 Å on the LADI-III diffractometer at the Institut Laue Langevin (ILL). The results demonstrate the feasibility of a full neutron crystallographic analysis of this structure aimed at providing relevant information on the location of H atoms, the distribution of charge on the protein surface and localized water in the structure. This information will be of interest for understanding the specificity of thaumatin–receptor interactions and will contribute to further understanding of the molecular mechanisms underlying the perception of taste.

[Crystallographic evaluation of structural changes in water].

Science.gov (United States)

Farashchuk, N F; Rakhmanin, Yu A; Savostikova, O N; Telenkova, O G

2014-01-01

The study of the structural state of tap water that has been stored for two days in the packaging materials of various type and in different conditions, was performed with the use of crystallographic method for the investigation of liquids based on a special approach for dehydration of the drop, which is a fixed thin "slice" of the examines liquid. Most organized crystallographic pattern was shown to observe in a drop of water after treatment Bioptron lamp (content of liquid-crystal associates (LCA)--6.90 ± 0.23), and stored in a silver vessel (content LCA--6.28 ± 0.17), and the least organized, almost amorphous precipitate is formed in a drop of water stored in plastic containers (content LCA--2.92 ± 0.15%). Basing on the obtained results, it can be concluded that the crystallographic method can be used for the identification of qualitative changes occurring in liquid water under the influence of various physical factors, for the identification of the rationality of the use of hereafter sophisticated quantitative techniques.

Recovery of crystallographic texture in remineralized dental enamel.

Directory of Open Access Journals (Sweden)

Samera Siddiqui

Full Text Available Dental caries is the most prevalent disease encountered by people of all ages around the world. Chemical changes occurring in the oral environment during the caries process alter the crystallography and microstructure of dental enamel resulting in loss of mechanical function. Little is known about the crystallographic effects of demineralization and remineralization. The motivation for this study was to develop understanding of the caries process at the crystallographic level in order to contribute towards a long term solution. In this study synchrotron X-ray diffraction combined with scanning electron microscopy and scanning microradiography have been used to correlate enamel crystallography, microstructure and mineral concentration respectively in enamel affected by natural caries and following artificial demineralization and remineralization regimes. In particular, the extent of destruction and re-formation of this complex structure has been measured. 2D diffraction patterns collected at the European Synchrotron Radiation Facility were used to quantify changes in the preferred orientation (crystallographic texture and position of the (002 Bragg reflection within selected regions of interest in each tooth slice, and then correlated with the microstructure and local mineral mass. The results revealed that caries and artificial demineralization cause a large reduction in crystallographic texture which is coupled with the loss of mineral mass. Remineralization restores the texture to the original level seen in healthy enamel and restores mineral density. The results also showed that remineralization promotes ordered formation of new crystallites and growth of pre-existing crystallites which match the preferred orientation of healthy enamel. Combining microstructural and crystallographic characterization aids the understanding of caries and erosion processes and assists in the progress towards developing therapeutic treatments to allow affected

Rigid finite element method in analysis of dynamics of offshore structures

Energy Technology Data Exchange (ETDEWEB)

Wittbrodt, Edmund [Gdansk Univ. of Technology (Poland); Szczotka, Marek; Maczynski, Andrzej; Wojciech, Stanislaw [Bielsko-Biala Univ. (Poland)

2013-07-01

This book describes new methods developed for modelling dynamics of machines commonly used in the offshore industry. These methods are based both on the rigid finite element method, used for the description of link deformations, and on homogeneous transformations and joint coordinates, which is applied to the modelling of multibody system dynamics. In this monograph, the bases of the rigid finite element method and homogeneous transformations are introduced. Selected models for modelling dynamics of offshore devices are then verified both by using commercial software, based on the finite element method, as well as by using additional methods. Examples of mathematical models of offshore machines, such as a gantry crane for Blowout-Preventer (BOP) valve block transportation, a pedestal crane with shock absorber, and pipe laying machinery are presented. Selected problems of control in offshore machinery as well as dynamic optimization in device control are also discussed. Additionally, numerical simulations of pipe-laying operations taking active reel drive into account are shown.

Crystallographic Topology 2: Overview and Work in Progress

Energy Technology Data Exchange (ETDEWEB)

Johnson, C.K.

1999-08-01

This overview describes an application of contemporary geometric topology and stochastic process concepts to structural crystallography. In this application, crystallographic groups become orbifolds, crystal structures become Morse functions on orbifolds, and vibrating atoms in a crystal become vector valued Gaussian measures with the Radon-Nikodym property. Intended crystallographic benefits include new methods for visualization of space groups and crystal structures, analysis of the thermal motion patterns seen in ORTEP drawings, and a classification scheme for crystal structures based on their Heegaard splitting properties.

A new concept of equivalent homogenization method

Energy Technology Data Exchange (ETDEWEB)

Kim, Young Jin; Pogoskekyan, Leonid; Kim, Young Il; Ju, Hyung Kook; Chang, Moon Hee [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1996-07-01

A new concept of equivalent homogenization is proposed. The concept employs new set of homogenized parameters: homogenized cross sections (XS) and interface matrix (IM), which relates partial currents at the cell interfaces. The idea of interface matrix generalizes the idea of discontinuity factors (DFs), proposed and developed by K. Koebke and K. Smith. The offered concept covers both those of K. Koebke and K. Smith; both of them can be simulated within framework of new concept. Also, the offered concept covers Siemens KWU approach for baffle/reflector simulation, where the equivalent homogenized reflector XS are derived from the conservation of response matrix at the interface in 1D simi-infinite slab geometry. The IM and XS of new concept satisfy the same assumption about response matrix conservation in 1D semi-infinite slab geometry. It is expected that the new concept provides more accurate approximation of heterogeneous cell, especially in case of the steep flux gradients at the cell interfaces. The attractive shapes of new concept are: improved accuracy, simplicity of incorporation in the existing codes, equal numerical expenses in comparison to the K. Smith`s approach. The new concept is useful for: (a) explicit reflector/baffle simulation; (b) control blades simulation; (c) mixed UO{sub 2}/MOX core simulation. The offered model has been incorporated in the finite difference code and in the nodal code PANDOX. The numerical results show good accuracy of core calculations and insensitivity of homogenized parameters with respect to in-core conditions. 9 figs., 7 refs. (Author).

Exact Polynomial Eigenmodes for Homogeneous Spherical 3-Manifolds

OpenAIRE

Weeks, Jeffrey R.

2005-01-01

Observational data hints at a finite universe, with spherical manifolds such as the Poincare dodecahedral space tentatively providing the best fit. Simulating the physics of a model universe requires knowing the eigenmodes of the Laplace operator on the space. The present article provides explicit polynomial eigenmodes for all globally homogeneous 3-manifolds: the Poincare dodecahedral space S3/I*, the binary octahedral space S3/O*, the binary tetrahedral space S3/T*, the prism manifolds S3/D...

Coupling between Experimental Measurements and Finite Element Calculations for identification of crystallographic constitutive law. Application to zirconium alloys; Methode de couplage entre experimentations et simulations numeriques en vue de l'identification de lois de comportement intracristallin. Application aux alliages de zirconium

Energy Technology Data Exchange (ETDEWEB)

Dexet, M

2006-10-15

This thesis presents a methodology for multi scale coupling between the morphology and texture of a microstructure as has been characterised experimentally, and the results of mechanical strain field analysis. This methodology is based on a coupling between experimental characterisation of the microstructure, ex-situ mechanical tests, local strain field measurements performed at the grain scale, and finite element simulations. Then, a definition of a cost function is proposed in order to optimise the parameters of the crystallographic constitutive law. This method is applied to the studies of zirconium alloys in order to improve the understanding of their mechanical behaviour in relation with their microstructures, which is a key requirement for their use in the nuclear industries. This work was funded by the joint research program SMIRN between EDF, CEA and CNRS. (author)

The Finite Element Numerical Modelling of 3D Magnetotelluric

Directory of Open Access Journals (Sweden)

Ligang Cao

2014-01-01

Full Text Available The ideal numerical simulation of 3D magnetotelluric was restricted by the methodology complexity and the time-consuming calculation. Boundary values, the variation of weighted residual equation, and the hexahedral mesh generation method of finite element are three major causes. A finite element method for 3D magnetotelluric numerical modeling is presented in this paper as a solution for the problem mentioned above. In this algorithm, a hexahedral element coefficient matrix for magnetoelluric finite method is developed, which solves large-scale equations using preconditioned conjugate gradient of the first-type boundary conditions. This algorithm is verified using the homogeneous model, and the positive landform model, as well as the low resistance anomaly model.

Iterative and variational homogenization methods for filled elastomers

Science.gov (United States)

Goudarzi, Taha

Elastomeric composites have increasingly proved invaluable in commercial technological applications due to their unique mechanical properties, especially their ability to undergo large reversible deformation in response to a variety of stimuli (e.g., mechanical forces, electric and magnetic fields, changes in temperature). Modern advances in organic materials science have revealed that elastomeric composites hold also tremendous potential to enable new high-end technologies, especially as the next generation of sensors and actuators featured by their low cost together with their biocompatibility, and processability into arbitrary shapes. This potential calls for an in-depth investigation of the macroscopic mechanical/physical behavior of elastomeric composites directly in terms of their microscopic behavior with the objective of creating the knowledge base needed to guide their bottom-up design. The purpose of this thesis is to generate a mathematical framework to describe, explain, and predict the macroscopic nonlinear elastic behavior of filled elastomers, arguably the most prominent class of elastomeric composites, directly in terms of the behavior of their constituents --- i.e., the elastomeric matrix and the filler particles --- and their microstructure --- i.e., the content, size, shape, and spatial distribution of the filler particles. This will be accomplished via a combination of novel iterative and variational homogenization techniques capable of accounting for interphasial phenomena and finite deformations. Exact and approximate analytical solutions for the fundamental nonlinear elastic response of dilute suspensions of rigid spherical particles (either firmly bonded or bonded through finite size interphases) in Gaussian rubber are first generated. These results are in turn utilized to construct approximate solutions for the nonlinear elastic response of non-Gaussian elastomers filled with a random distribution of rigid particles (again, either firmly

Finite element discretization of Darcy's equations with pressure dependent porosity

KAUST Repository

Girault, Vivette; Murat, Franç ois; Salgado, Abner

2010-01-01

We consider the flow of a viscous incompressible fluid through a rigid homogeneous porous medium. The permeability of the medium depends on the pressure, so that the model is nonlinear. We propose a finite element discretization of this problem and

Finite Element Modeling of Crystallographic Preferred Orientation (CPO) in Two- Phase Aggregates: Rrelevant for Anisotropy of the Earth's lower Lower Mantle

Science.gov (United States)

Zepeda-Alarcon, E.; Wenk, H. R.; Kasemer, M.; Dawson, P.; Carson, R.

2015-12-01

Deformation of lower mantle minerals has been studied experimentally in some detail, but the underlying physical processes that govern deformation are still not well understood. We have implemented the orthorhombic symmetry in the viscoplastic finite element code FEpX developed at Cornell University, making this code useful for understanding plasticity of mineral aggregates like bridgmanite (with perovskite structure) and ferropericlase, the main mineral components of the lower mantle. High pressure radial diamond anvil cell (rDAC) and large volume press (D-DIA) experiments suggest that CPO is much weaker in 2-phase aggregates compared to 1-phase aggregates. But so far this has not been modeled satisfactorily with polycrystal plasticity theory that assumes that grains deform homogeneously, such as the Taylor or self-consistent approaches. Since it is expected that local heterogeneity plays a crucial role in deformation of 2-phase aggregates, we use a finite element approach where each grain in the aggregate is composed of individual elements. The constitutive equations between stress and strain are solved for all the elements in the aggregate, taking the local environment of each element into account. The FEpX code models the mechanical behavior of a virtual polycrystal, generated by the Neper code, which deforms by dislocation slip over large strain paths. The slip systems for the orthorhombic perovskite structure have been implemented into the code and, in particular, the development of CPO due to different combinations of slip systems is examined in the 2-phase aggregate of bridgmanite and periclase. Preliminary results show that there is an important correlation between CPO of both bridgmanite and periclase with the relative volume fractions and the microstructure of the aggregate. If the soft periclase is interconnected it absorbs deformation by grain boundary sliding instead of by dislocation glide. Model results are compared with high pressure r

Commensurability effects in holographic homogeneous lattices

International Nuclear Information System (INIS)

Andrade, Tomas; Krikun, Alexander

2016-01-01

An interesting application of the gauge/gravity duality to condensed matter physics is the description of a lattice via breaking translational invariance on the gravity side. By making use of global symmetries, it is possible to do so without scarifying homogeneity of the pertinent bulk solutions, which we thus term as “homogeneous holographic lattices.' Due to their technical simplicity, these configurations have received a great deal of attention in the last few years and have been shown to correctly describe momentum relaxation and hence (finite) DC conductivities. However, it is not clear whether they are able to capture other lattice effects which are of interest in condensed matter. In this paper we investigate this question focusing our attention on the phenomenon of commensurability, which arises when the lattice scale is tuned to be equal to (an integer multiple of) another momentum scale in the system. We do so by studying the formation of spatially modulated phases in various models of homogeneous holographic lattices. Our results indicate that the onset of the instability is controlled by the near horizon geometry, which for insulating solutions does carry information about the lattice. However, we observe no sharp connection between the characteristic momentum of the broken phase and the lattice pitch, which calls into question the applicability of these models to the physics of commensurability.

Crystallographic Mapping of Guided Nanowires by Second Harmonic Generation Polarimetry.

Science.gov (United States)

Neeman, Lior; Ben-Zvi, Regev; Rechav, Katya; Popovitz-Biro, Ronit; Oron, Dan; Joselevich, Ernesto

2017-02-08

The growth of horizontal nanowires (NWs) guided by epitaxial and graphoepitaxial relations with the substrate is becoming increasingly attractive owing to the possibility of controlling their position, direction, and crystallographic orientation. In guided NWs, as opposed to the extensively characterized vertically grown NWs, there is an increasing need for understanding the relation between structure and properties, specifically the role of the epitaxial relation with the substrate. Furthermore, the uniformity of crystallographic orientation along guided NWs and over the substrate has yet to be checked. Here we perform highly sensitive second harmonic generation (SHG) polarimetry of polar and nonpolar guided ZnO NWs grown on R-plane and M-plane sapphire. We optically map large areas on the substrate in a nondestructive way and find that the crystallographic orientations of the guided NWs are highly selective and specific for each growth direction with respect to the substrate lattice. In addition, we perform SHG polarimetry along individual NWs and find that the crystallographic orientation is preserved along the NW in both polar and nonpolar NWs. While polar NWs show highly uniform SHG along their axis, nonpolar NWs show a significant change in the local nonlinear susceptibility along a few micrometers, reflected in a reduction of 40% in the ratio of the SHG along different crystal axes. We suggest that these differences may be related to strain accumulation along the nonpolar wires. We find SHG polarimetry to be a powerful tool to study both selectivity and uniformity of crystallographic orientations of guided NWs with different epitaxial relations.

Stress analysis of heated concrete using finite elements

International Nuclear Information System (INIS)

Majumdar, P.; Gupta, A.; Marchertas, A.

1994-01-01

Described is a finite element analysis of concrete, which is subjected to rapid heating. Using thermal mass transport calculation, the moisture content, temperature and pore pressure distribution over space and time is obtained first. From these effects, stress at various points of the concrete are computed using the finite element method. Contribution to the stress formulation comes from three components, namely the thermal expansion, pore pressure, and the shrinkage of concrete due to moisture loss (from dehydration). The material properties of concrete are assumed to be homogeneous, elastic, and cracking is not taken into consideration. (orig.)

Crystallographic features of lath martensite in low-carbon steel

International Nuclear Information System (INIS)

Kitahara, Hiromoto; Ueji, Rintaro; Tsuji, Nobuhiro; Minamino, Yoritoshi

2006-01-01

Electron backscattering diffraction with field-emission scanning electron microscopy was used to analyze crystallographically the lath martensite structure in a 0.20% carbon steel. The crystallographic features of the lath martensite structure, of the order of the prior austenite grain size or larger, were clarified. Although the orientations of the martensite crystals were scattered around the ideal variant orientations, the martensite in this steel maintained the Kurdjumov-Sachs (K-S) orientation relationship. The procedures of the crystallographic analysis of the martensite (ferrite) phase with the K-S orientation relationship were explained in detail. Variant analysis showed that all 24 possible variants did not necessarily appear within a single prior austenite grain and that all six variants did not necessarily appear within each packet. Specific combinations of two variants appeared within local regions (sub-blocks), indicating a strict rule for variant selection. Prior austenite grain boundaries and most of the packet boundaries were clearly recognized. However, it was difficult to determine the block boundaries within the sub-blocks

Crystallographic deterioration of MOVPE InN during the growth

International Nuclear Information System (INIS)

Sugita, K.; Nagai, Y.; Houchin, Y.; Hashimoto, A.; Yamamoto, A.

2007-01-01

This paper reports the crystallographic degradation of MOVPE InN during the growth. Using FWHMs of X-ray rocking curve, tilt ((0002)) and twist ((10-10)) angle distributions are evaluated and effects of the major growth parameters, such as growth temperature, growth time and with/without GaN buffer in the degradation, are revealed. With increasing either thickness of grown InN or growth temperature up to 600 C, the tilt angle distribution is markedly increased, indicating the crystallographic degradation of grown films. The use of a GaN buffer reduces such degradation. Since the twist angle distribution is scarcely changed by such growth parameters, the destruction of InN crystals during growth and annealing is concluded to be anisotropic. The trends of the crystallographic degradation revealed here are in good agreement with those for the electrical and optical degradation previously reported. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Projective embeddings of homogeneous spaces with small boundary

International Nuclear Information System (INIS)

Arzhantsev, Ivan V

2009-01-01

We study open equivariant projective embeddings of homogeneous spaces such that the complement of the open orbit has codimension at least 2. We establish a criterion for the existence of such an embedding, prove that the set of isomorphism classes of such embeddings is finite, and give a construction of the embeddings in terms of Geometric Invariant Theory. A generalization of Cox's construction and the theory of bunched rings enable us to describe in combinatorial terms the basic geometric properties of embeddings with small boundary

Conformally compactified homogeneous spaces (Possible Observable Consequences)

International Nuclear Information System (INIS)

Budinich, P.

1995-01-01

Some arguments based on the possible spontaneous violation of the Cosmological Principles (represented by the observed large-scale structures of galaxies), the Cartan-geometry of simple spinors and on the Fock-formulation of hydrogen-atom wave-equation in momentum-space, are presented in favour of the hypothesis that space-time and momentum-space should be both conformally compactified and represented by the two four-dimensional homogeneous spaces of the conformal group, both isomorphic to (S 3 X S 1 )/Z 2 and correlated by conformal inversion. Within this framework, the possible common origin for the S0(4) symmetry underlying the geometrical structure of the Universe, of Kepler orbits and of the H-atom is discussed. On of the consequences of the proposed hypothesis could be that any quantum field theory should be naturally free from both infrared and ultraviolet divergences. But then physical spaces defined as those where physical phenomena may be best described, could be different from those homogeneous spaces. A simple, exactly soluble, toy model, valid for a two-dimensional space-time is presented where the conjecture conformally compactified space-time and momentum-space are both isomorphic to (S 1 X S 1 )/Z 2 , while the physical spaces are two finite lattice which are dual since Fourier transforms, represented by finite, discrete, sums may be well defined on them. Furthermore, a q-deformed SU q (1,1) may be represented on them if q is a root of unity. (author). 22 refs, 3 figs

Fourier-Accelerated Nodal Solvers (FANS) for homogenization problems

Science.gov (United States)

Leuschner, Matthias; Fritzen, Felix

2017-11-01

Fourier-based homogenization schemes are useful to analyze heterogeneous microstructures represented by 2D or 3D image data. These iterative schemes involve discrete periodic convolutions with global ansatz functions (mostly fundamental solutions). The convolutions are efficiently computed using the fast Fourier transform. FANS operates on nodal variables on regular grids and converges to finite element solutions. Compared to established Fourier-based methods, the number of convolutions is reduced by FANS. Additionally, fast iterations are possible by assembling the stiffness matrix. Due to the related memory requirement, the method is best suited for medium-sized problems. A comparative study involving established Fourier-based homogenization schemes is conducted for a thermal benchmark problem with a closed-form solution. Detailed technical and algorithmic descriptions are given for all methods considered in the comparison. Furthermore, many numerical examples focusing on convergence properties for both thermal and mechanical problems, including also plasticity, are presented.

A non-conformal finite element/finite volume scheme for the non-structured grid-based approximation of low Mach number flows

International Nuclear Information System (INIS)

Ansanay-Alex, G.

2009-01-01

The development of simulation codes aimed at a precise simulation of fires requires a precise approach of flame front phenomena by using very fine grids. The need to take different spatial scale into consideration leads to a local grid refinement and to a discretization with homogeneous grid for computing time and memory purposes. The author reports the approximation of the non-linear convection term, the scalar advection-diffusion in finite volumes, numerical simulations of a flow in a bent tube, of a three-dimensional laminar flame and of a low Mach number an-isotherm flow. Non conformal finite elements are also presented (Rannacher-Turek and Crouzeix-Raviart elements)

Finite-time consensus of second-order leader-following multi-agent systems without velocity measurements

International Nuclear Information System (INIS)

Zhang, Yanjiao; Yang, Ying

2013-01-01

This Letter investigates the finite-time consensus problems of second-order multi-agent systems in the presence of one and multiple leaders under a directed graph. Specifically, we propose two bounded control laws, which are independent of velocity information, to deal with the finite-time consensus tracking problem with one leader and the finite-time containment control problem with multiple leaders, respectively. With the aid of homogeneous theory, some sufficient conditions are established for the achievement of the finite-time tracking control problem of second-order multi-agent systems. Numerical examples are finally provided to illustrate the theoretical results.

Crystallographic cut that maximizes of the birefringence in photorefractive crystals

OpenAIRE

Rueda-Parada, Jorge Enrique

2017-01-01

The electro-optical birefringence effect depends on the crystal type, cut crystal, applied electric field and the incidence direction of light on the principal crystal faces. It is presented a study of maximizing the birefringence in photorefractive crystals of cubic crystallographic symmetry, in terms of these three parameters. General analytical expressions for the birefringence were obtained, from which birefringence can be established for any type of cut. A new crystallographic cut was en...

The crystallographic growth directions of Sn whiskers

International Nuclear Information System (INIS)

Stein, J.; Welzel, U.; Leineweber, A.; Huegel, W.; Mittemeijer, E.J.

2015-01-01

The growth directions of 55 Sn whiskers, i.e. the crystallographic orientation parallel to the whisker-growth axes, were determined using (i) a focused ion beam microscope for the determination of the physical growth angles of the whiskers with respect to a specimen (reference) coordinate system and (ii) an electron backscatter detector in a scanning electron microscope for the determination of the crystallographic orientation of the whiskers. The Sn whiskers were found to grow preferentially along low-index directions of the β-Sn crystal structure. The experimental findings of this study (and most of the results presented in the literature as well) were explained by applying, in a modified way, the Hartman–Perdok concept of periodic bond chains, i.e. chains of strong bonds running uninterruptedly through the structure, to the Sn whisker-growth phenomenon

Global finite-time attitude stabilization for rigid spacecraft in the exponential coordinates

Science.gov (United States)

Shi, Xiao-Ning; Zhou, Zhi-Gang; Zhou, Di

2018-06-01

This paper addresses the global finite-time attitude stabilisation problem on the special orthogonal group (SO(3)) for a rigid spacecraft via homogeneous feedback approach. Considering the topological and geometric properties of SO(3), the logarithm map is utilised to transform the stabilisation problem on SO(3) into the one on its associated Lie algebra (?). A model-independent discontinuous state feedback plus dynamics compensation scheme is constructed to achieve the global finite-time attitude stabilisation in a coordinate-invariant way. In addition, to address the absence of angular velocity measurements, a sliding mode observer is proposed to reconstruct the unknown angular velocity information within finite time. Then, an observer-based finite-time output feedback control strategy is obtained. Numerical simulations are finally performed to demonstrate the effectiveness of the proposed finite-time controllers.

Calculation of homogenized Pickering NGS stainless steel adjuster rod neutron cross-sections using conservation of reaction rates

Energy Technology Data Exchange (ETDEWEB)

Robinson, R C [Atlantic Nuclear Services Ltd. (Canada); Tran, F [Ontario Hydro, Pickering, ON (Canada). Pickering Generating Station

1996-12-31

A homogenization methodology for calculation of reactivity device incremental cross-sections has been developed using reaction rate conservation (RRC). A heterogeneous transport calculation of flux was utilised to produce the homogenized cross-sections for a finite difference two group diffusion code. The RRC cross-sections have been shown to improve significantly the prediction of reactivity worth for stainless steel adjuster rods installed in Pickering NGS reactors. (author). 10 refs., 3 tabs., 6 figs.

Distributed finite-time containment control for double-integrator multiagent systems.

Science.gov (United States)

Wang, Xiangyu; Li, Shihua; Shi, Peng

2014-09-01

In this paper, the distributed finite-time containment control problem for double-integrator multiagent systems with multiple leaders and external disturbances is discussed. In the presence of multiple dynamic leaders, by utilizing the homogeneous control technique, a distributed finite-time observer is developed for the followers to estimate the weighted average of the leaders' velocities at first. Then, based on the estimates and the generalized adding a power integrator approach, distributed finite-time containment control algorithms are designed to guarantee that the states of the followers converge to the dynamic convex hull spanned by those of the leaders in finite time. Moreover, as a special case of multiple dynamic leaders with zero velocities, the proposed containment control algorithms also work for the case of multiple stationary leaders without using the distributed observer. Simulations demonstrate the effectiveness of the proposed control algorithms.

Homogenization scheme for acoustic metamaterials

KAUST Repository

Yang, Min

2014-02-26

We present a homogenization scheme for acoustic metamaterials that is based on reproducing the lowest orders of scattering amplitudes from a finite volume of metamaterials. This approach is noted to differ significantly from that of coherent potential approximation, which is based on adjusting the effective-medium parameters to minimize scatterings in the long-wavelength limit. With the aid of metamaterials’ eigenstates, the effective parameters, such as mass density and elastic modulus can be obtained by matching the surface responses of a metamaterial\\'s structural unit cell with a piece of homogenized material. From the Green\\'s theorem applied to the exterior domain problem, matching the surface responses is noted to be the same as reproducing the scattering amplitudes. We verify our scheme by applying it to three different examples: a layered lattice, a two-dimensional hexagonal lattice, and a decorated-membrane system. It is shown that the predicted characteristics and wave fields agree almost exactly with numerical simulations and experiments and the scheme\\'s validity is constrained by the number of dominant surface multipoles instead of the usual long-wavelength assumption. In particular, the validity extends to the full band in one dimension and to regimes near the boundaries of the Brillouin zone in two dimensions.

Oscillatory Dynamics of One-Dimensional Homogeneous Granular Chains

Science.gov (United States)

Starosvetsky, Yuli; Jayaprakash, K. R.; Hasan, Md. Arif; Vakakis, Alexander F.

The acoustics of the homogeneous granular chains has been studied extensively both numerically and experimentally in the references cited in the previous chapters. This chapter focuses on the oscillatory behavior of finite dimensional homogeneous granular chains. It is well known that normal vibration modes are the building blocks of the vibrations of linear systems due to the applicability of the principle of superposition. One the other hand, nonlinear theory is deprived of such a general superposition principle (although special cases of nonlinear superpositions do exist), but nonlinear normal modes ‒ NNMs still play an important role in the forced and resonance dynamics of these systems. In their basic definition [1], NNMs were defined as time-periodic nonlinear oscillations of discrete or continuous dynamical systems where all coordinates (degrees-of-freedom) oscillate in-unison with the same frequency; further extensions of this definition have been considered to account for NNMs of systems with internal resonances [2]...

Linear extended neutron diffusion theory for semi-in finites homogeneous means

International Nuclear Information System (INIS)

Vazquez R, R.; Vazquez R, A.; Espinosa P, G.

2009-10-01

Originally developed for heterogeneous means, the linear extended neutron diffusion theory is applied to the limit case of monoenergetic neutron diffusion in a semi-infinite homogeneous mean with a neutron source, located in the coordinate origin situated in the frontier of dispersive material. The monoenergetic neutron diffusion is studied taking into account the spatial deviations in the neutron flux to the interfacial current caused by the neutron source, as well as the influence of the spatial deviations in the absorption rate. The developed pattern is an unidimensional model for an energy group obtained of application of volumetric average diffusion equation in the moderator. The obtained results are compared against the classic diffusion theory and qualitatively against the neutron transport theory. (Author)

Linear finite element method for one-dimensional diffusion problems

Energy Technology Data Exchange (ETDEWEB)

Brandao, Michele A.; Dominguez, Dany S.; Iglesias, Susana M., E-mail: micheleabrandao@gmail.com, E-mail: dany@labbi.uesc.br, E-mail: smiglesias@uesc.br [Universidade Estadual de Santa Cruz (LCC/DCET/UESC), Ilheus, BA (Brazil). Departamento de Ciencias Exatas e Tecnologicas. Laboratorio de Computacao Cientifica

2011-07-01

We describe in this paper the fundamentals of Linear Finite Element Method (LFEM) applied to one-speed diffusion problems in slab geometry. We present the mathematical formulation to solve eigenvalue and fixed source problems. First, we discretized a calculus domain using a finite set of elements. At this point, we obtain the spatial balance equations for zero order and first order spatial moments inside each element. Then, we introduce the linear auxiliary equations to approximate neutron flux and current inside the element and architect a numerical scheme to obtain the solution. We offer numerical results for fixed source typical model problems to illustrate the method's accuracy for coarse-mesh calculations in homogeneous and heterogeneous domains. Also, we compare the accuracy and computational performance of LFEM formulation with conventional Finite Difference Method (FDM). (author)

Two-dimensional arbitrarily shaped acoustic cloaks composed of homogeneous parts

Science.gov (United States)

Li, Qi; Vipperman, Jeffrey S.

2017-10-01

Acoustic cloaking is an important application of acoustic metamaterials. Although the topic has received much attention, there are a number of areas where contributions are needed. In this paper, a design method for producing acoustic cloaks with arbitrary shapes that are composed of homogeneous parts is presented. The cloak is divided into sections, each of which, in turn, is further divided into two parts, followed by the application of transformation acoustics to derive the required properties for cloaking. With the proposed mapping relations, the properties of each part of the cloak are anisotropic but homogeneous, which can be realized using two alternating layers of homogeneous and isotropic materials. A hexagonal and an irregular cloak are presented as design examples. The full wave simulations using COMSOL Multiphysics finite element software show that the cloaks function well at reducing reflections and shadows. The variation of the cloak properties is investigated as a function of three important geometric parameters used in the transformations. A balance can be found between cloaking performance and materials properties that are physically realizable.

Linear embeddings of finite-dimensional subsets of Banach spaces into Euclidean spaces

International Nuclear Information System (INIS)

Robinson, James C

2009-01-01

This paper treats the embedding of finite-dimensional subsets of a Banach space B into finite-dimensional Euclidean spaces. When the Hausdorff dimension of X − X is finite, d H (X − X) k are injective on X. The proof motivates the definition of the 'dual thickness exponent', which is the key to proving that a prevalent set of such linear maps have Hölder continuous inverse when the box-counting dimension of X is finite and k > 2d B (X). A related argument shows that if the Assouad dimension of X − X is finite and k > d A (X − X), a prevalent set of such maps are bi-Lipschitz with logarithmic corrections. This provides a new result for compact homogeneous metric spaces via the Kuratowksi embedding of (X, d) into L ∞ (X)

Evaluation of effective material properties of spiral wound gasket through homogenization

International Nuclear Information System (INIS)

Mathan, G.; Siva Prasad, N.

2010-01-01

In this paper, a homogenization methodology is proposed to determine the material properties of spiral wound gaskets (SWGs) using finite element analysis through representative volume elements (RVE) of the gaskets. The constituents of this RVE are described by elasto-plastic material properties. The RVE are subjected to six load cases and the volume averaged responses are analyzed simultaneously to predict the anisotropic properties. The mechanical behaviour is simplified to an orthotropic material model with Hill's plasticity model and the properties are verified with micro-mechanical simulation and experimental results available in the literature. Reasonable agreement is obtained between the results. Formulae for elastic properties are also derived by a simplified analytical method based on lamination theory and compared with those obtained from homogenization.

Evaluation of effective material properties of spiral wound gasket through homogenization

Energy Technology Data Exchange (ETDEWEB)

Mathan, G. [Department of Mechanical Engineering, Indian Institute of Technology Madras, Chennai 600036 (India); Siva Prasad, N., E-mail: siva@iitm.ac.i [Department of Mechanical Engineering, Indian Institute of Technology Madras, Chennai 600036 (India)

2010-12-15

In this paper, a homogenization methodology is proposed to determine the material properties of spiral wound gaskets (SWGs) using finite element analysis through representative volume elements (RVE) of the gaskets. The constituents of this RVE are described by elasto-plastic material properties. The RVE are subjected to six load cases and the volume averaged responses are analyzed simultaneously to predict the anisotropic properties. The mechanical behaviour is simplified to an orthotropic material model with Hill's plasticity model and the properties are verified with micro-mechanical simulation and experimental results available in the literature. Reasonable agreement is obtained between the results. Formulae for elastic properties are also derived by a simplified analytical method based on lamination theory and compared with those obtained from homogenization.

Star formation through thermal instability of radiative plasma with finite electron inertia and finite Larmor radius corrections

Energy Technology Data Exchange (ETDEWEB)

Kaothekar, Sachin, E-mail: sackaothekar@gmail.com [Department of Physics, Mahakal Institute of Technology, Ujjain-456664, Madhya Pradesh (India)

2016-08-15

I have studied the effects of finite electron inertia, finite ion Larmor radius (FLR) corrections, and radiative heat-loss function on the thermal instability of an infinite homogeneous, viscous plasma incorporating the effect of thermal conductivity for star formation in interstellar medium (ISM). A general dispersion relation is derived using the normal mode analysis method with the help of relevant linearized perturbation equations of the problem. The wave propagation is discussed for longitudinal and transverse directions to the external magnetic field and the conditions of modified thermal instabilities and stabilities are discussed in different cases. We find that the thermal instability criterion is get modified into radiative instability criterion by inclusion of radiative heat-loss functions with thermal conductivity. The viscosity of medium removes the effect of FLR corrections from the condition of radiative instability. Numerical calculation shows stabilizing effect of heat-loss function, viscosity and FLR corrections, and destabilizing effect of finite electron inertia on the thermal instability. Results carried out in this paper shows that stars are formed in interstellar medium mainly due to thermal instability.

Star formation through thermal instability of radiative plasma with finite electron inertia and finite Larmor radius corrections

Directory of Open Access Journals (Sweden)

Sachin Kaothekar

2016-08-01

Full Text Available I have studied the effects of finite electron inertia, finite ion Larmor radius (FLR corrections, and radiative heat-loss function on the thermal instability of an infinite homogeneous, viscous plasma incorporating the effect of thermal conductivity for star formation in interstellar medium (ISM. A general dispersion relation is derived using the normal mode analysis method with the help of relevant linearized perturbation equations of the problem. The wave propagation is discussed for longitudinal and transverse directions to the external magnetic field and the conditions of modified thermal instabilities and stabilities are discussed in different cases. We find that the thermal instability criterion is get modified into radiative instability criterion by inclusion of radiative heat-loss functions with thermal conductivity. The viscosity of medium removes the effect of FLR corrections from the condition of radiative instability. Numerical calculation shows stabilizing effect of heat-loss function, viscosity and FLR corrections, and destabilizing effect of finite electron inertia on the thermal instability. Results carried out in this paper shows that stars are formed in interstellar medium mainly due to thermal instability.

FEMB, 2-D Homogeneous Neutron Diffusion in X-Y Geometry with Keff Calculation, Dyadic Fission Matrix

International Nuclear Information System (INIS)

Misfeldt, I.B.

1987-01-01

1 - Nature of physical problem solved: The two-dimensional neutron diffusion equation (xy geometry) is solved in the homogeneous form (K eff calculation). The boundary conditions specify each group current as a linear homogeneous function of the group fluxes (gamma matrix concept). For each material, the fission matrix is assumed to be dyadic. 2 - Method of solution: Finite element formulation with Lagrange type elements. Solution technique: SOR with extrapolation. 3 - Restrictions on the complexity of the problem: Maximum order of the Lagrange elements is 6

A finite strain Eulerian formulation for compressible and nearly incompressible hyperelasticity using high-order B-spline finite elements

KAUST Repository

Duddu, Ravindra

2011-10-05

We present a numerical formulation aimed at modeling the nonlinear response of elastic materials using large deformation continuum mechanics in three dimensions. This finite element formulation is based on the Eulerian description of motion and the transport of the deformation gradient. When modeling a nearly incompressible solid, the transport of the deformation gradient is decomposed into its isochoric part and the Jacobian determinant as independent fields. A homogeneous isotropic hyperelastic solid is assumed and B-splines-based finite elements are used for the spatial discretization. A variational multiscale residual-based approach is employed to stabilize the transport equations. The performance of the scheme is explored for both compressible and nearly incompressible applications. The numerical results are in good agreement with theory illustrating the viability of the computational scheme. © 2011 John Wiley & Sons, Ltd.

FINITE ELEMENT MODELING OF THIN CIRCULAR SANDWICH PLATES DEFLECTION

Directory of Open Access Journals (Sweden)

K. S. Kurachka

2014-01-01

Full Text Available A mathematical model of a thin circular sandwich plate being under the vertical load is proposed. The model employs the finite element method and takes advantage of an axisymmetric finite element that leads to the small dimension of the resulting stiffness matrix and sufficient accuracy for practical calculations. The analytical expressions for computing local stiffness matrices are found, which can significantly speed up the process of forming the global stiffness matrix and increase the accuracy of calculations. A software is under development and verification. The discrepancy between the results of the mathematical model and those of analytical formulas for homogeneous thin circularsandwich plates does not exceed 7%.

Finite-time output feedback stabilization of high-order uncertain nonlinear systems

Science.gov (United States)

Jiang, Meng-Meng; Xie, Xue-Jun; Zhang, Kemei

2018-06-01

This paper studies the problem of finite-time output feedback stabilization for a class of high-order nonlinear systems with the unknown output function and control coefficients. Under the weaker assumption that output function is only continuous, by using homogeneous domination method together with adding a power integrator method, introducing a new analysis method, the maximal open sector Ω of output function is given. As long as output function belongs to any closed sector included in Ω, an output feedback controller can be developed to guarantee global finite-time stability of the closed-loop system.

Finite-time consensus for leader-following multi-agent systems over switching network topologies

International Nuclear Information System (INIS)

Sun Feng-Lan; Zhu Wei

2013-01-01

Finite-time consensus problem of the leader-following multi-agent system under switching network topologies is studied in this paper. Based on the graph theory, matrix theory, homogeneity with dilation, and LaSalle's invariance principle, the control protocol of each agent using local information is designed, and the detailed analysis of the leader-following finite-time consensus is provided. Some examples and simulation results are given to illustrate the effectiveness of the obtained theoretical results

Three sets of crystallographic sub-planar structures in quartz formed by tectonic deformation

Science.gov (United States)

Derez, Tine; Pennock, Gill; Drury, Martyn; Sintubin, Manuel

2016-05-01

In quartz, multiple sets of fine planar deformation microstructures that have specific crystallographic orientations parallel to planes with low Miller-Bravais indices are commonly considered as shock-induced planar deformation features (PDFs) diagnostic of shock metamorphism. Using polarized light microscopy, we demonstrate that up to three sets of tectonically induced sub-planar fine extinction bands (FEBs), sub-parallel to the basal, γ, ω, and π crystallographic planes, are common in vein quartz in low-grade tectonometamorphic settings. We conclude that the observation of multiple (2-3) sets of fine scale, closely spaced, crystallographically controlled, sub-planar microstructures is not sufficient to unambiguously distinguish PDFs from tectonic FEBs.

A crystallographic perspective on sharing data and knowledge

Science.gov (United States)

Bruno, Ian J.; Groom, Colin R.

2014-10-01

The crystallographic community is in many ways an exemplar of the benefits and practices of sharing data. Since the inception of the technique, virtually every published crystal structure has been made available to others. This has been achieved through the establishment of several specialist data centres, including the Cambridge Crystallographic Data Centre, which produces the Cambridge Structural Database. Containing curated structures of small organic molecules, some containing a metal, the database has been produced for almost 50 years. This has required the development of complex informatics tools and an environment allowing expert human curation. As importantly, a financial model has evolved which has, to date, ensured the sustainability of the resource. However, the opportunities afforded by technological changes and changing attitudes to sharing data make it an opportune moment to review current practices.

Using Non-linear Homogenization to Improve the Performance of Macroscopic Damage Models of Trabecular Bone.

Science.gov (United States)

Levrero-Florencio, Francesc; Pankaj, Pankaj

2018-01-01

Realistic macro-level finite element simulations of the mechanical behavior of trabecular bone, a cellular anisotropic material, require a suitable constitutive model; a model that incorporates the mechanical response of bone for complex loading scenarios and includes post-elastic phenomena, such as plasticity (permanent deformations) and damage (permanent stiffness reduction), which bone is likely to experience. Some such models have been developed by conducting homogenization-based multiscale finite element simulations on bone micro-structure. While homogenization has been fairly successful in the elastic regime and, to some extent, in modeling the macroscopic plastic response, it has remained a challenge with respect to modeling damage. This study uses a homogenization scheme to upscale the damage behavior from the tissue level (microscale) to the organ level (macroscale) and assesses the suitability of different damage constitutive laws. Ten cubic specimens were each subjected to 21 strain-controlled load cases for a small range of macroscopic post-elastic strains. Isotropic and anisotropic criteria were considered, density and fabric relationships were used in the formulation of the damage law, and a combined isotropic/anisotropic law with tension/compression asymmetry was formulated, based on the homogenized results, as a possible alternative to the currently used single scalar damage criterion. This computational study enhances the current knowledge on the macroscopic damage behavior of trabecular bone. By developing relationships of damage progression with bone's micro-architectural indices (density and fabric) the study also provides an aid for the creation of more precise macroscale continuum models, which are likely to improve clinical predictions.

TVEDIM, 2-D Homogeneous and Inhomogeneous Neutron Diffusion for X-Y, R-Z, R-Theta Geometry

International Nuclear Information System (INIS)

Kristiansen, G.K.

1987-01-01

1 - Nature of physical problem solved: The two-dimensional neutron diffusion equation (x-y, r-z, or r-theta geometry is solved, either in the inhomogeneous (source calculation) or the homogeneous form (K eff calculation or absorber adjustment). The boundary conditions specify each group current as a linear homogeneous function of the group fluxes (gamma matrix concept). For each material, the fission matrix is assumed to by dyadic. 2 - Method of solution: Finite difference formulation (5 point scheme, mesh corner variant) is used. Solution technique: multi-line SOR. Eigenvalue estimate by neutron balance

Crystallographic orientations in one-directional gray cast solidification

International Nuclear Information System (INIS)

Roviglione, A.; Hermida, J.D.

1991-01-01

The aim of this work is to determine the crystallographic orientations of austenite and the A laminar graphite and the compact, in one-directionally grown samples to decide upon the validity of the mentioned theory. (Author) [es

Algebraic K-theory of crystallographic groups the three-dimensional splitting case

CERN Document Server

Farley, Daniel Scott

2014-01-01

The Farrell-Jones isomorphism conjecture in algebraic K-theory offers a description of the algebraic K-theory of a group using a generalized homology theory. In cases where the conjecture is known to be a theorem, it gives a powerful method for computing the lower algebraic K-theory of a group. This book contains a computation of the lower algebraic K-theory of the split three-dimensional crystallographic groups, a geometrically important class of three-dimensional crystallographic group, representing a third of the total number. The book leads the reader through all aspects of the calculation. The first chapters describe the split crystallographic groups and their classifying spaces. Later chapters assemble the techniques that are needed to apply the isomorphism theorem. The result is a useful starting point for researchers who are interested in the computational side of the Farrell-Jones isomorphism conjecture, and a contribution to the growing literature in the field.

Solution XAS Analysis for Exploring the Active Species in Homogeneous Vanadium Complex Catalysis

Science.gov (United States)

Nomura, Kotohiro; Mitsudome, Takato; Tsutsumi, Ken; Yamazoe, Seiji

2018-06-01

Selected examples in V K-edge X-ray Absorption Near Edge Structure (XANES) analysis of a series of vanadium complexes containing imido ligands (possessing metal-nitrogen double bond) in toluene solution have been introduced, and their pre-edge and the edge were affected by their structures and nature of ligands. Selected results in exploring the oxidation states of the active species in ethylene dimerization/polymerization using homogeneous vanadium catalysts [consisting of (imido)vanadium(V) complexes and Al cocatalysts] by X-ray absorption spectroscopy (XAS) analyses have been introduced. It has been demonstrated that the method should provide more clear information concerning the active species in situ, especially by combination with the other methods (NMR and ESR spectra, X-ray crystallographic analysis, and reaction chemistry), and should be powerful tool for study of catalysis mechanism as well as for the structural analysis in solution.

Dependence of Crystallographic Orientation on Pitting Corrosion Behavior of Ni-Fe-Cr Alloy 028

Science.gov (United States)

Zhang, LiNa; Szpunar, Jerzy A.; Dong, JianXin; Ojo, Olanrewaju A.; Wang, Xu

2018-03-01

The influence of crystallographic orientation on the pitting corrosion behavior of Ni-Fe-Cr alloy 028 was studied using a combination of X-ray diffraction (XRD), electron backscatter diffraction (EBSD), potentiodynamic polarization technique, and atomic force microscopy (AFM). The results show that there is anisotropy of pitting corrosion that strongly depends on crystallographic orientation of the surface plane. The distribution of pit density in a standard stereographic triangle indicates that the crystallographic planes close to {100} are more prone to pitting corrosion compared to planes {110} and {111}. The surface energy calculation of (001) and (111) shows that the plane with a high atomic packing density has a low surface energy with concomitant strong resistance to pitting corrosion. A correlation function between crystallographic orientation and pitting corrosion susceptibility suggests a method that not only predicts the pitting resistance of known textured materials, but also could help to improve corrosion resistance by controlling material texture.

The effect of crystallographic orientation on the active corrosion of pure magnesium

International Nuclear Information System (INIS)

Liu Ming; Qiu Dong; Zhao Mingchun; Song, Guangling; Atrens, Andrej

2008-01-01

An improved method was used to investigate the influence of crystallographic orientation on the corrosion of pure magnesium in 0.1 N HCl. The corrosion depth and orientation of surface features were mapped against crystallographic orientation (obtained by electron backscatter diffraction) for many off-principal magnesium crystals. The grains near (0 0 0 1) orientation are the most corrosion resistant. Most grains exhibited a striated structure of long and narrow hillocks with a unique direction

A comparative crystallographic analysis of the tetragonal-to-monoclinic transformation in the yttria-zirconia system

Science.gov (United States)

Navruz, N.

2008-06-01

The various requirements for effective transformation toughening cannot be predicted without a detailed understanding of the crystallography of the martensitic transformation. In this connection, a comparative crystallographic analysis for four pairs of lattice-correspondence variants in the yttria-zirconia system has been performed on the basis of infinitesimal-deformation (ID) approach and Wechsler-Lieberman-Read (WLR) crystallographic theory. A comparison of the crystallographic features obtained from these two theories was made. In order to verify the applicability of the two theories to this transformation, the calculated results were also compared with the experimental data available. The present study shows that the predictions of both the ID approach and the WLR crystallographic theory can provide data necessary for the model of transformation toughening and act as a guideline for the experimental work in the yttria-zirconia system.

Solidification Segregation and Homogenization Behavior of 1Cr-1.25Mo-0.25V Steel Ingot

Energy Technology Data Exchange (ETDEWEB)

Kim, Dong-Bae [Dae-gu Mechatronics and Materials Institute, Daegu (Korea, Republic of); Na, Young-Sang; Seo, Seong-Moon [Korea Institute of Materials Science, Changwon (Korea, Republic of); Lee, Je-Hyun [Changwon National University, Changwon (Korea, Republic of)

2016-09-15

As a first step to optimizing the homogenization heat treatment following high temperature upset forging, the solidification segregation and the homogenization behaviors of solute elements were quantitatively analyzed for 1Cr-1.25Mo-0.25V steel ingot by electron probe micro-analysis (EPMA). The random sampling approach, which was designed to generate continuous compositional profiles of each solute element, was employed to clarify the segregation and homogenization behaviors. In addition, ingot castings of lab-scale and a 16-ton-sized 1Cr-1.25Mo-0.25V steel were simulated using the finite element method in three dimensions to understand the size effect of the ingot on the microsegregation and its reduction during the homogenization heat treatment. It was found that the microsegregation in a large-sized ingot was significantly reduced by the promotion of solid state diffusion due to the extremely low cooling rate. On the other hand, from the homogenization point of view, increasing the ingot size causes a dramatic increase in the dendrite arm spacing, and hence the homogenization of microsegregation in a large-sized ingot appears to be practically difficult.

Crystallographic Analysis of Nucleation at Hardness Indentations in High-Purity Aluminum

DEFF Research Database (Denmark)

Xu, Chaoling; Zhang, Yubin; Lin, Fengxiang

2016-01-01

Nucleation at Vickers hardness indentations has been studied in high-purity aluminum cold-rolled 12 pct. Electron channeling contrast was used to measure the size of the indentations and to detect nuclei, while electron backscattering diffraction was used to determine crystallographic orientations....... It is found that indentations are preferential nucleation sites. The crystallographic orientations of the deformed grains affect the hardness and the nucleation potentials at the indentations. Higher hardness gives increased nucleation probabilities. Orientation relationships between nuclei developed...... they form. Finally, possible nucleation mechanisms are briefly discussed....

Identification of some crystallographic features of martensite in steels by microdiffraction

International Nuclear Information System (INIS)

Sarikaya, M.; Rao, B.V.N.; Thomas, G.

1980-03-01

Considerable attention should be paid to the interpretation of electron diffraction, such as the understanding of the extra reflections and other effects in an SAD pattern obtained from lath martensite by making allowances for spatial resolution limitations in the SAD patterns. These difficulties can be overcome by utilizing the convergent beam electron diffraction (CBED) method which permits the use of different probe sizes to obtain crystallographic information from very small regions. Some crystallographic features of lath martensite in low and medium C steels have been identified and some others verified by using CBED

Determination of crystallographic and macroscopic orientation of planar structures in TEM

DEFF Research Database (Denmark)

Huang, X.; Liu, Q.

1998-01-01

With the aid of a double-tilt holder in a transmission electron microscope (TEM), simple methods are described for determination of the crystallographic orientation of a planar structure and for calculation of the macroscopic orientation of the planar structure. The correlation between a planar...... structure and a crystallographic plane can be found by comparing the differences in their trace directions on the projection plane and inclination angles with respect to that plane. The angles between the traces of planar structures and the sample axis measured from the TEM micrographs, which have been...

Linear theory of a cold relativistic beam in a strongly magnetized finite-geometry plasma

International Nuclear Information System (INIS)

Gagne, R.R.J.; Shoucri, M.M.

1976-01-01

The linear theory of a finite-geometry cold relativistic beam propagating in a cold homogeneous finite-geometry plasma, is investigated in the case of a strongly magnetized plasma. The beam is assumed to propagate parallel to the external magnetic field. It is shown that the instability which takes place at the Cherenkov resonance ωapprox. =k/subz/v/subb/ is of the convective type. The effect of the finite geometry on the instability growth rate is studied and is shown to decrease the growth rate, with respect to the infinite geometry, by a factor depending on the ratio of the beam-to-plasma radius

Crystallographic data processing for free-electron laser sources

International Nuclear Information System (INIS)

White, Thomas A.; Barty, Anton; Stellato, Francesco; Holton, James M.; Kirian, Richard A.; Zatsepin, Nadia A.; Chapman, Henry N.

2013-01-01

A processing pipeline for diffraction data acquired using the ‘serial crystallography’ methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A processing pipeline for diffraction data acquired using the ‘serial crystallography’ methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A detailed analysis of the nature and impact of indexing ambiguities is presented. Simulations of the Monte Carlo integration scheme, which accounts for the partially recorded nature of the diffraction intensities, are presented and show that the integration of partial reflections could be made to converge more quickly if the bandwidth of the X-rays were to be increased by a small amount or if a slight convergence angle were introduced into the incident beam

Crystallographic data processing for free-electron laser sources

Energy Technology Data Exchange (ETDEWEB)

White, Thomas A., E-mail: taw@physics.org; Barty, Anton; Stellato, Francesco [DESY, Notkestrasse 85, 22607 Hamburg (Germany); Holton, James M. [University of California, San Francisco, CA 94158 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kirian, Richard A. [DESY, Notkestrasse 85, 22607 Hamburg (Germany); Arizona State University, Tempe, AZ 85287 (United States); Zatsepin, Nadia A. [Arizona State University, Tempe, AZ 85287 (United States); Chapman, Henry N. [DESY, Notkestrasse 85, 22607 Hamburg (Germany); University of Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)

2013-07-01

A processing pipeline for diffraction data acquired using the ‘serial crystallography’ methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A processing pipeline for diffraction data acquired using the ‘serial crystallography’ methodology with a free-electron laser source is described with reference to the crystallographic analysis suite CrystFEL and the pre-processing program Cheetah. A detailed analysis of the nature and impact of indexing ambiguities is presented. Simulations of the Monte Carlo integration scheme, which accounts for the partially recorded nature of the diffraction intensities, are presented and show that the integration of partial reflections could be made to converge more quickly if the bandwidth of the X-rays were to be increased by a small amount or if a slight convergence angle were introduced into the incident beam.

Accuracy of finite-element models for the stress analysis of multiple-holed moderator blocks

International Nuclear Information System (INIS)

Smith, P.D.; Sullivan, R.M.; Lewis, A.C.; Yu, H.J.

1981-01-01

Two steps have been taken to quantify and improve the accuracy in the analysis. First, the limitations of various approximation techniques have been studied with the aid of smaller benchmark problems containing fewer holes. Second, a new family of computer programs has been developed for handling such large problems. This paper describes the accuracy studies and the benchmark problems. A review is given of some proposed modeling techniques including local mesh refinement, homogenization, a special-purpose finite element, and substructuring. Some limitations of these approaches are discussed. The new finite element programs and the features that contribute to their efficiency are discussed. These include a standard architecture for out-of-core data processing and an equation solver that operates on a peripheral array processor. The central conclusions of the paper are: (1) modeling approximation methods such as local mesh refinement and homogenization tend to be unreliable, and they should be justified by a fine mesh benchmark analysis; and (2) finite element codes are now available that can achieve accurate solutions at a reasonable cost, and there is no longer a need to employ modeling approximations in the two-dimensional analysis of HTGR fuel elements. 10 figures

Supervised self-organization of homogeneous swarms using ergodic projections of Markov chains.

Science.gov (United States)

Chattopadhyay, Ishanu; Ray, Asok

2009-12-01

This paper formulates a self-organization algorithm to address the problem of global behavior supervision in engineered swarms of arbitrarily large population sizes. The swarms considered in this paper are assumed to be homogeneous collections of independent identical finite-state agents, each of which is modeled by an irreducible finite Markov chain. The proposed algorithm computes the necessary perturbations in the local agents' behavior, which guarantees convergence to the desired observed state of the swarm. The ergodicity property of the swarm, which is induced as a result of the irreducibility of the agent models, implies that while the local behavior of the agents converges to the desired behavior only in the time average, the overall swarm behavior converges to the specification and stays there at all times. A simulation example illustrates the underlying concept.

Periodontal ligament influence on the stress distribution in a removable partial denture supported by implant: a finite element analysis

Directory of Open Access Journals (Sweden)

Carlos Marcelo Archangelo

2012-06-01

Full Text Available OBJECTIVES: The non-homogenous aspect of periodontal ligament (PDL has been examined using finite element analysis (FEA to better simulate PDL behavior. The aim of this study was to assess, by 2-D FEA, the influence of non-homogenous PDL on the stress distribution when the free-end saddle removable partial denture (RPD is partially supported by an osseointegrated implant. MATERIAL AND METHODS: Six finite element (FE models of a partially edentulous mandible were created to represent two types of PDL (non-homogenous and homogenous and two types of RPD (conventional RPD, supported by tooth and fibromucosa; and modified RPD, supported by tooth and implant [10.00x3.75 mm]. Two additional Fe models without RPD were used as control models. The non-homogenous PDL was modeled using beam elements to simulate the crest, horizontal, oblique and apical fibers. The load (50 N was applied in each cusp simultaneously. Regarding boundary conditions the border of alveolar ridge was fixed along the x axis. The FE software (Ansys 10.0 was used to compute the stress fields, and the von Mises stress criterion (svM was applied to analyze the results. RESULTS: The peak of svM in non-homogenous PDL was higher than that for the homogenous condition. The benefits of implants were enhanced for the non-homogenous PDL condition, with drastic svM reduction on the posterior half of the alveolar ridge. The implant did not reduce the stress on the support tooth for both PDL conditions. Conclusion: The PDL modeled in the non-homogeneous form increased the benefits of the osseointegrated implant in comparison with the homogeneous condition. Using the non-homogenous PDL, the presence of osseointegrated implant did not reduce the stress on the supporting tooth.

Crystallographic contribution to the formation of the columnar grain structure in cobalt films

International Nuclear Information System (INIS)

Hara, K.; Itoh, K.; Okamoto, K.; Hashimoto, T.

1996-01-01

In order to clarify the crystallographic contribution to the formation of the columnar grain structure, the geometric and crystallographic alignments of columnar grains in cobalt films were investigated on the basis of magnetic and optical measurements. The films were deposited by sputtering at an incidence angle of 45 on glass substrates heated at 332 K. The film thickness ranged from 20 to 850 nm. Above 50 nm the columnar grains align in the direction parallel to the incidence plane and form a two-degree crystallographic orientation. The packing density of columnar grains decreases with increasing thickness when the thickness exceeds 50 nm. From these results we conclude that the crystal habit appearing on column tops induces the two-degree orientation through geometric selection and aligns the selected columnar grains in the parallel direction. (orig.)

The relationship between continuum homogeneity and statistical homogeneity in cosmology

International Nuclear Information System (INIS)

Stoeger, W.R.; Ellis, G.F.R.; Hellaby, C.

1987-01-01

Although the standard Friedmann-Lemaitre-Robertson-Walker (FLRW) Universe models are based on the concept that the Universe is spatially homogeneous, up to the present time no definition of this concept has been proposed that could in principle be tested by observation. Such a definition is here proposed, based on a simple spatial averaging procedure, which relates observable properties of the Universe to the continuum homogeneity idea that underlies the FLRW models. It turns out that the statistical homogeneity often used to describe the distribution of matter on a large scale does not imply spatial homogeneity according to this definition, and so cannot be simply related to a FLRW Universe model. Values are proposed for the homogeneity parameter and length scale of homogeneity of the Universe. (author)

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

International Nuclear Information System (INIS)

Joo, H.; Nichols, W.R.

1994-01-01

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

Non-periodic homogenization of 3-D elastic media for the seismic wave equation

Science.gov (United States)

Cupillard, Paul; Capdeville, Yann

2018-05-01

Because seismic waves have a limited frequency spectrum, the velocity structure of the Earth that can be extracted from seismic records has a limited resolution. As a consequence, one obtains smooth images from waveform inversion, although the Earth holds discontinuities and small scales of various natures. Within the last decade, the non-periodic homogenization method shed light on how seismic waves interact with small geological heterogeneities and `see' upscaled properties. This theory enables us to compute long-wave equivalent density and elastic coefficients of any media, with no constraint on the size, the shape and the contrast of the heterogeneities. In particular, the homogenization leads to the apparent, structure-induced anisotropy. In this paper, we implement this method in 3-D and show 3-D tests for the very first time. The non-periodic homogenization relies on an asymptotic expansion of the displacement and the stress involved in the elastic wave equation. Limiting ourselves to the order 0, we show that the practical computation of an upscaled elastic tensor basically requires (i) to solve an elastostatic problem and (ii) to low-pass filter the strain and the stress associated with the obtained solution. The elastostatic problem consists in finding the displacements due to local unit strains acting in all directions within the medium to upscale. This is solved using a parallel, highly optimized finite-element code. As for the filtering, we rely on the finite-element quadrature to perform the convolution in the space domain. We end up with an efficient numerical tool that we apply on various 3-D models to test the accuracy and the benefit of the homogenization. In the case of a finely layered model, our method agrees with results derived from Backus. In a more challenging model composed by a million of small cubes, waveforms computed in the homogenized medium fit reference waveforms very well. Both direct phases and complex diffracted waves are

Broken ergodicity in two-dimensional homogeneous magnetohydrodynamic turbulence

International Nuclear Information System (INIS)

Shebalin, John V.

2010-01-01

Two-dimensional (2D) homogeneous magnetohydrodynamic (MHD) turbulence has many of the same qualitative features as three-dimensional (3D) homogeneous MHD turbulence. These features include several ideal (i.e., nondissipative) invariants along with the phenomenon of broken ergodicity (defined as nonergodic behavior over a very long time). Broken ergodicity appears when certain modes act like random variables with mean values that are large compared to their standard deviations, indicating a coherent structure or dynamo. Recently, the origin of broken ergodicity in 3D MHD turbulence that is manifest in the lowest wavenumbers was found. Here, we study the origin of broken ergodicity in 2D MHD turbulence. It will be seen that broken ergodicity in ideal 2D MHD turbulence can be manifest in the lowest wavenumbers of a finite numerical model for certain initial conditions or in the highest wavenumbers for another set of initial conditions. The origins of broken ergodicity in an ideal 2D homogeneous MHD turbulence are found through an eigenanalysis of the covariance matrices of the probability density function and by an examination of the associated entropy functional. When the values of ideal invariants are kept fixed and grid size increases, it will be shown that the energy in a few large modes remains constant, while the energy in any other mode is inversely proportional to grid size. Also, as grid size increases, we find that broken ergodicity becomes manifest at more and more wavenumbers.

X-Ray powder diffractometry, crystallographic phase analysis and ...

African Journals Online (AJOL)

Computerized X-Ray diffraction system has been used to determine the composition and lattice parameters of raw and activated kaolinite. The universal diffractometry URD 63 was interfaced with computer via an APX 63 software package for rapid capturing of data on reflected intensity and other crystallographic ...

An alternative to the crystallographic reconstruction of austenite in steels

International Nuclear Information System (INIS)

Bernier, Nicolas; Bracke, Lieven; Malet, Loïc; Godet, Stéphane

2014-01-01

An alternative crystallographic austenite reconstruction programme written in Matlab is developed by combining the best features of the existing models: the orientation relationship refinement, the local pixel-by-pixel analysis and the nuclei identification and spreading strategy. This programme can be directly applied to experimental electron backscatter diffraction mappings. Its applicability is demonstrated on both quenching and partitioning and as-quenched lath-martensite steels. - Highlights: • An alternative crystallographic austenite reconstruction program is developed. • The method combines a local analysis and a nuclei identification/spreading strategy. • The validity of the calculated orientation relationship is verified on a Q and P steel. • The accuracy of the reconstructed microtexture is investigated on a martensite steel

Mechanical Homogenization Increases Bacterial Homogeneity in Sputum

Science.gov (United States)

Stokell, Joshua R.; Khan, Ammad

2014-01-01

Sputum obtained from patients with cystic fibrosis (CF) is highly viscous and often heterogeneous in bacterial distribution. Adding dithiothreitol (DTT) is the standard method for liquefaction prior to processing sputum for molecular detection assays. To determine if DTT treatment homogenizes the bacterial distribution within sputum, we measured the difference in mean total bacterial abundance and abundance of Burkholderia multivorans between aliquots of DTT-treated sputum samples with and without a mechanical homogenization (MH) step using a high-speed dispersing element. Additionally, we measured the effect of MH on bacterial abundance. We found a significant difference between the mean bacterial abundances in aliquots that were subjected to only DTT treatment and those of the aliquots which included an MH step (all bacteria, P = 0.04; B. multivorans, P = 0.05). There was no significant effect of MH on bacterial abundance in sputum. Although our results are from a single CF patient, they indicate that mechanical homogenization increases the homogeneity of bacteria in sputum. PMID:24759710

Calibration of reconstruction parameters in atom probe tomography using a single crystallographic orientation

International Nuclear Information System (INIS)

Suram, Santosh K.; Rajan, Krishna

2013-01-01

The purpose of this work is to develop a methodology to estimate the APT reconstruction parameters when limited crystallographic information is available. Reliable spatial scaling of APT data currently requires identification of multiple crystallographic poles from the field desorption image for estimating the reconstruction parameters. This requirement limits the capacity of accurately reconstructing APT data for certain complex systems, such as highly alloyed systems and nanostructured materials wherein more than one pole is usually not observed within one grain. To overcome this limitation, we develop a quantitative methodology for calibrating the reconstruction parameters in an APT dataset by ensuring accurate inter-planar spacing and optimizing the curvature correction for the atomic planes corresponding to a single crystallographic orientation. We validate our approach on an aluminum dataset and further illustrate its capabilities by computing geometric reconstruction parameters for W and Al–Mg–Sc datasets. - Highlights: ► Quantitative approach is developed to accurately reconstruct APT data. ► Curvature of atomic planes in APT data is used to calibrate the reconstruction. ► APT reconstruction parameters are determined from a single crystallographic axis. ► Quantitative approach is demonstrated on W, Al and Al–Mg–Sc systems. ► Accurate APT reconstruction of complex materials is now possible

Magnetic anisotropy induced by crystallographic orientation and morphological alignment in directionally-solidified eutectic Mn-Sb alloy

Energy Technology Data Exchange (ETDEWEB)

Lou, Chang-Sheng [School of Materials Science and Engineering, Shenyang Ligong University, Shenyang 110159 (China); Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819 (China); Liu, Tie, E-mail: liutie@epm.neu.edu.cn [Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819 (China); Dong, Meng; Wu, Chun; Shao, Jian-Guo; Wang, Qiang [Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110819 (China)

2017-02-15

The influences of the crystallographic orientation and morphological alignment upon the magnetic anisotropic behavior of polycrystalline materials were investigated. Microstructures obtained in eutectic Mn-Sb alloys via directional solidification simultaneously displayed crystallographic orientation and morphological alignment. Both the crystallographic orientation and the morphological alignment were able to induce magnetic anisotropy in the alloys, wherein the influence of the crystallographic orientation and the morphological alignment upon the magnetic anisotropic behavior of the alloys strongly depended upon their directions and exhibited either mutual promotion or competition. These findings may provide useful guidance for the fabrication design of functional magnetic materials. - Highlights: • We study effects of orientation in crystal and morphology on magnetic anisotropy. • Both orientation in crystal and morphology can induce magnetic anisotropy. • Their effects depend on direction and exhibit either mutual promotion or competition.

Automated identification of crystallographic ligands using sparse-density representations

International Nuclear Information System (INIS)

Carolan, C. G.; Lamzin, V. S.

2014-01-01

A novel procedure for identifying ligands in macromolecular crystallographic electron-density maps is introduced. Density clusters in such maps can be rapidly attributed to one of 82 different ligands in an automated manner. A novel procedure for the automatic identification of ligands in macromolecular crystallographic electron-density maps is introduced. It is based on the sparse parameterization of density clusters and the matching of the pseudo-atomic grids thus created to conformationally variant ligands using mathematical descriptors of molecular shape, size and topology. In large-scale tests on experimental data derived from the Protein Data Bank, the procedure could quickly identify the deposited ligand within the top-ranked compounds from a database of candidates. This indicates the suitability of the method for the identification of binding entities in fragment-based drug screening and in model completion in macromolecular structure determination

Arbitrary quadratures determination of the monoenergetic neutron density in an homogeneous finite sphere with isotropic scattering

International Nuclear Information System (INIS)

Sanchez G, J.

2015-09-01

The solution of the so-called Canonical problems of neutron transport theory has been given by Case, who developed a method akin to the classical eigenfunction expansion procedure, extended to admit singular eigenfunctions. The solution is given as a set consisting of a Fredholm integral equation coupled with a transcendental equation, which has to be solved for the expansion coefficients by iteration. CASE's method make extensive use of the results of the theory of functions of a complex variable and many successful approaches to solve in an approximate form the above mentioned set have been reported in the literature. We present here an entirely different approach which deals with the canonical problems in a more direct and elementary manner. As far as we know, the original idea for the latter method is due to Carlvik who devised the escape probability approximation to the solution of the neutron transport equation in its integral form. In essence, the procedure consists in assuming a sectionally constant form of the neutron density that in turn yields a set of linear algebraic equations obeyed by the assumed constant values of the density. Very well established techniques of numerical analysis for the solution of integral equations consist in independent approaches that generalize the sectionally constant approach by assuming a sectionally low degree polynomial for the unknown function. This procedure also known as the arbitrary quadratures method is especially suited to deal with cases where the kernel of the integral equation is singular. The author wishes to present the results obtained with the arbitrary quadratures method for the numerical calculation of the monoenergetic neutron density in a critical, homogeneous sphere of finite radius with isotropic scattering. The singular integral equation obeyed by the neutron density in the critical sphere is introduced, an outline of the method's main features is given, and tables and graphs of the density

Arbitrary quadratures determination of the monoenergetic neutron density in an homogeneous finite sphere with isotropic scattering

Energy Technology Data Exchange (ETDEWEB)

Sanchez G, J., E-mail: julian.sanchez@inin.gob.mx [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

2015-09-15

The solution of the so-called Canonical problems of neutron transport theory has been given by Case, who developed a method akin to the classical eigenfunction expansion procedure, extended to admit singular eigenfunctions. The solution is given as a set consisting of a Fredholm integral equation coupled with a transcendental equation, which has to be solved for the expansion coefficients by iteration. CASE's method make extensive use of the results of the theory of functions of a complex variable and many successful approaches to solve in an approximate form the above mentioned set have been reported in the literature. We present here an entirely different approach which deals with the canonical problems in a more direct and elementary manner. As far as we know, the original idea for the latter method is due to Carlvik who devised the escape probability approximation to the solution of the neutron transport equation in its integral form. In essence, the procedure consists in assuming a sectionally constant form of the neutron density that in turn yields a set of linear algebraic equations obeyed by the assumed constant values of the density. Very well established techniques of numerical analysis for the solution of integral equations consist in independent approaches that generalize the sectionally constant approach by assuming a sectionally low degree polynomial for the unknown function. This procedure also known as the arbitrary quadratures method is especially suited to deal with cases where the kernel of the integral equation is singular. The author wishes to present the results obtained with the arbitrary quadratures method for the numerical calculation of the monoenergetic neutron density in a critical, homogeneous sphere of finite radius with isotropic scattering. The singular integral equation obeyed by the neutron density in the critical sphere is introduced, an outline of the method's main features is given, and tables and graphs of the density

A novel asymptotic expansion homogenization analysis for 3-D composite with relieved periodicity in the thickness direction

KAUST Repository

Nasution, Muhammad Ridlo Erdata

2014-06-01

A new asymptotic expansion homogenization analysis is proposed to analyze 3-D composite in which thermomechanical and finite thickness effects are considered. Finite thickness effect is captured by relieving periodic boundary condition at the top and bottom of unit-cell surfaces. The mathematical treatment yields that only 2-D periodicity (i.e. in in-plane directions) is taken into account. A unit-cell representing the whole thickness of 3-D composite is built to facilitate the present method. The equivalent in-plane thermomechanical properties of 3-D orthogonal interlock composites are calculated by present method, and the results are compared with those obtained by standard homogenization method (with 3-D periodicity). Young\\'s modulus and Poisson\\'s ratio obtained by present method are also compared with experiments whereby a good agreement is particularly found for the Young\\'s modulus. Localization analysis is carried out to evaluate the stress responses within the unit-cell of 3-D composites for two cases: thermal and biaxial tensile loading. Standard finite element (FE) analysis is also performed to validate the stress responses obtained by localization analysis. It is found that present method results are in a good agreement with standard FE analysis. This fact emphasizes that relieving periodicity in the thickness direction is necessary to accurately simulate the real free-traction condition in 3-D composite. © 2014 Elsevier Ltd.

A novel asymptotic expansion homogenization analysis for 3-D composite with relieved periodicity in the thickness direction

KAUST Repository

Nasution, Muhammad Ridlo Erdata; Watanabe, Naoyuki; Kondo, Atsushi; Yudhanto, Arief

2014-01-01

A new asymptotic expansion homogenization analysis is proposed to analyze 3-D composite in which thermomechanical and finite thickness effects are considered. Finite thickness effect is captured by relieving periodic boundary condition at the top and bottom of unit-cell surfaces. The mathematical treatment yields that only 2-D periodicity (i.e. in in-plane directions) is taken into account. A unit-cell representing the whole thickness of 3-D composite is built to facilitate the present method. The equivalent in-plane thermomechanical properties of 3-D orthogonal interlock composites are calculated by present method, and the results are compared with those obtained by standard homogenization method (with 3-D periodicity). Young's modulus and Poisson's ratio obtained by present method are also compared with experiments whereby a good agreement is particularly found for the Young's modulus. Localization analysis is carried out to evaluate the stress responses within the unit-cell of 3-D composites for two cases: thermal and biaxial tensile loading. Standard finite element (FE) analysis is also performed to validate the stress responses obtained by localization analysis. It is found that present method results are in a good agreement with standard FE analysis. This fact emphasizes that relieving periodicity in the thickness direction is necessary to accurately simulate the real free-traction condition in 3-D composite. © 2014 Elsevier Ltd.

Finite-Time Stabilization for a Class of Nonlinear Differential-Algebraic Systems Subject to Disturbance

Directory of Open Access Journals (Sweden)

Xiaohui Mo

2017-01-01

Full Text Available In this paper, finite-time stabilization problem for a class of nonlinear differential-algebraic systems (NDASs subject to external disturbance is investigated via a composite control manner. A composite finite-time controller (CFTC is proposed with a three-stage design procedure. Firstly, based on the adding a power integrator technique, a finite-time control (FTC law is explicitly designed for the nominal NDAS by only using differential variables. Then, by using homogeneous system theory, a continuous finite-time disturbance observer (CFTDO is constructed to estimate the disturbance generated by an exogenous system. Finally, a composite controller which consists of a feedforward compensation part based on CFTDO and the obtained FTC law is proposed. Rigorous analysis demonstrates that not only the proposed composite controller can stabilize the NDAS in finite time, but also the proposed control scheme exhibits nominal performance recovery property. Simulation examples are provided to illustrate the effectiveness of the proposed control approach.

Crystallographic changes in lead zirconate titanate due to neutron irradiation

Directory of Open Access Journals (Sweden)

Alexandra Henriques

2014-11-01

Full Text Available Piezoelectric and ferroelectric materials are useful as the active element in non-destructive monitoring devices for high-radiation areas. Here, crystallographic structural refinement (i.e., the Rietveld method is used to quantify the type and extent of structural changes in PbZr0.5Ti0.5O3 after exposure to a 1 MeV equivalent neutron fluence of 1.7 × 1015 neutrons/cm2. The results show a measurable decrease in the occupancy of Pb and O due to irradiation, with O vacancies in the tetragonal phase being created preferentially on one of the two O sites. The results demonstrate a method by which the effects of radiation on crystallographic structure may be investigated.

Crystallographic computing system JANA2006: General features

Czech Academy of Sciences Publication Activity Database

Petříček, Václav; Dušek, Michal; Palatinus, Lukáš

2014-01-01

Roč. 229, č. 5 (2014), s. 345-352 ISSN 0044-2968 R&D Projects: GA ČR(CZ) GAP204/11/0809; GA ČR(CZ) GA14-03276S Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : JANA2006 * aperiodic structures * magnetic structures * crystallographic computing Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.310, year: 2014

Quantum electrodynamics at finite temperatures in presence of an external field violating the vacuum stability

International Nuclear Information System (INIS)

Gavrilov, S.P.; Gitman, D.M.; Fradkin, E.S.

1987-01-01

A functional generating expectation values is obtained for QED at a finite temperature in presence of an external field violating the vacuum stability. Equations for connected Green's functions and the effective action for the mean field are derived. The Green function is obtained as an integral with respect of the proper time; the representation takes into account temperature effects in a constant homogeneous field. The polarization operator for the mean field in an external constant homogeneous field is calculated by means of the integral representation

Collective strong coupling with homogeneous Rabi frequencies using a 3D lumped element microwave resonator

International Nuclear Information System (INIS)

Angerer, Andreas; Astner, Thomas; Wirtitsch, Daniel; Majer, Johannes; Sumiya, Hitoshi; Onoda, Shinobu; Isoya, Junichi; Putz, Stefan

2016-01-01

We design and implement 3D-lumped element microwave cavities that spatially focus magnetic fields to a small mode volume. They allow coherent and uniform coupling to electron spins hosted by nitrogen vacancy centers in diamond. We achieve large homogeneous single spin coupling rates, with an enhancement of more than one order of magnitude compared to standard 3D cavities with a fundamental resonance at 3 GHz. Finite element simulations confirm that the magnetic field distribution is homogeneous throughout the entire sample volume, with a root mean square deviation of 1.54%. With a sample containing 10"1"7 nitrogen vacancy electron spins, we achieve a collective coupling strength of Ω = 12 MHz, a cooperativity factor C = 27, and clearly enter the strong coupling regime. This allows to interface a macroscopic spin ensemble with microwave circuits, and the homogeneous Rabi frequency paves the way to manipulate the full ensemble population in a coherent way.

Computation of 2D compressible flows with a finite element method

International Nuclear Information System (INIS)

Montagne, J.L.

1981-04-01

When the homogeneous modelisation of the two phase flow is used the set of equations describing the flow is similar to an Euler system. Mixed finite elements are appropriate to discretize the equations. First, main properties of this kind of elements are reminded. Then, some properties of semi-implicite schemes on stability and entropy are given. Numerical tests have been performed, and the scheme gave satisfactory results

MHODE: a local-homogeneity theory for improved source-parameter estimation of potential fields

Science.gov (United States)

Fedi, Maurizio; Florio, Giovanni; Paoletti, Valeria

2015-08-01

We describe a multihomogeneity theory for source-parameter estimation of potential fields. Similar to what happens for random source models, where the monofractal scaling-law has been generalized into a multifractal law, we propose to generalize the homogeneity law into a multihomogeneity law. This allows a theoretically correct approach to study real-world potential fields, which are inhomogeneous and so do not show scale invariance, except in the asymptotic regions (very near to or very far from their sources). Since the scaling properties of inhomogeneous fields change with the scale of observation, we show that they may be better studied at a set of scales than at a single scale and that a multihomogeneous model is needed to explain its complex scaling behaviour. In order to perform this task, we first introduce fractional-degree homogeneous fields, to show that: (i) homogeneous potential fields may have fractional or integer degree; (ii) the source-distributions for a fractional-degree are not confined in a bounded region, similarly to some integer-degree models, such as the infinite line mass and (iii) differently from the integer-degree case, the fractional-degree source distributions are no longer uniform density functions. Using this enlarged set of homogeneous fields, real-world anomaly fields are studied at different scales, by a simple search, at any local window W, for the best homogeneous field of either integer or fractional-degree, this yielding a multiscale set of local homogeneity-degrees and depth estimations which we call multihomogeneous model. It is so defined a new technique of source parameter estimation (Multi-HOmogeneity Depth Estimation, MHODE), permitting retrieval of the source parameters of complex sources. We test the method with inhomogeneous fields of finite sources, such as faults or cylinders, and show its effectiveness also in a real-case example. These applications show the usefulness of the new concepts, multihomogeneity and

Ion-acoustic wave propagation in plasmas with ion beams having a finite cross section--

International Nuclear Information System (INIS)

Huld, T.A.; Pe'cseli, H.L.; Rasmussen, J.J.

1990-01-01

The propagation of a low-density-modulated ion beam with finite cross section in a homogeneous plasma is considered. Analytical expressions describing a Cerenkov-like radiation pattern are obtained. An experimental setup is described that is suitable for investigating these phenomena. The results are in qualitive agreement with the analytical expressions

Correlation between Crystallographic and Magnetic Domains at Co/NiO(001) Interfaces

Energy Technology Data Exchange (ETDEWEB)

Ohldag, H.; van der Laan, G.; Arenholz, E.

2008-12-18

Using soft x-ray spectromicroscopy we show that NiO(001) exhibits a crystallographic and magnetic domain structure near the surface identical to that of the bulk. Upon Co deposition a perpendicular coupling between the Ni and Co moments is observed that persists even after formation of uncompensated Ni spins at the interface through annealing. The chemical composition at the interface alters its crystallographic structure and leads to a reorientation of the Ni moments from the <112> to the <110> direction. We show that this reorientation is driven by changes in the magnetocrystalline anisotropy rather than exchange coupling mediated by residual uncompensated spins.

Anisotropic chemical etching of semipolar {101-bar 1-bar}/{101-bar +1} ZnO crystallographic planes: polarity versus dangling bonds

International Nuclear Information System (INIS)

Palacios-Lidon, E; Perez-GarcIa, B; Colchero, J; Vennegues, P; Zuniga-Perez, J; Munoz-Sanjose, V

2009-01-01

ZnO thin films grown by metal-organic vapor phase epitaxy along the nonpolar [112-bar] direction and exhibiting semipolar {101-bar 1-bar}/{101-bar +1} facets have been chemically etched with HCl. In order to get an insight into the influence of the ZnO wurtzite structure in the chemical reactivity of the material, Kelvin probe microscopy and convergent beam electron diffraction have been employed to unambiguously determine the absolute polarity of the facets, showing that {101-bar +1} facets are unstable upon etching in an HCl solution and transform into (000+1)/{101-bar 1-bar} planes. In contrast, {101-bar 1-bar} undergo homogeneous chemical etching perpendicular to the initial crystallographic plane. The observed etching behavior has been explained in terms of surface oxygen dangling bond density, suggesting that the macroscopic polarity plays a secondary role in the etching process.

Linearized holographic isotropization at finite coupling

Energy Technology Data Exchange (ETDEWEB)

Atashi, Mahdi; Fadafan, Kazem Bitaghsir [Shahrood University of Technology, Physics Department (Iran, Islamic Republic of); Jafari, Ghadir [Institute for Research in Fundamental Sciences (IPM), School of Physics, Tehran (Iran, Islamic Republic of)

2017-06-15

We study holographic isotropization of an anisotropic homogeneous non-Abelian strongly coupled plasma in the presence of Gauss-Bonnet corrections. It was verified before that one can linearize Einstein's equations around the final black hole background and simplify the complicated setup. Using this approach, we study the expectation value of the boundary stress tensor. Although we consider small values of the Gauss-Bonnet coupling constant, it is found that finite coupling leads to significant increasing of the thermalization time. By including higher order corrections in linearization, we extend the results to study the effect of the Gauss-Bonnet coupling on the entropy production on the event horizon. (orig.)

Crystallographically-based analysis of the NMR spectra of maghemite

International Nuclear Information System (INIS)

Spiers, K.M.; Cashion, J.D.

2012-01-01

All possible iron environments with respect to nearest neighbour vacancies in vacancy-ordered and vacancy-disordered maghemite have been evaluated and used as the foundation for a crystallographically-based analysis of the published NMR spectra of maghemite. The spectral components have been assigned to particular configurations and excellent agreement obtained in comparing predicted spectra with published spectra taken in applied magnetic fields. The broadness of the published NMR lines has been explained by calculations of the magnetic dipole fields at the various iron sites and consideration of the supertransferred hyperfine fields. - Highlights: ► Analysis of 57 Fe NMR of maghemite based on vacancy ordering and nearest neighbour vacancies. ► Assignment of NMR spectral components based on crystallographic analysis of unique iron sites. ► Strong agreement between predicted spectra and published spectra taken in applied magnetic fields. ► Maghemite NMR spectral broadening due to various iron sites and supertransferred hyperfine field.

A multiscale coupled finite-element and phase-field framework to modeling stressed grain growth in polycrystalline thin films

Energy Technology Data Exchange (ETDEWEB)

Jamshidian, M., E-mail: jamshidian@cc.iut.ac.ir [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstrasse 15, 99423 Weimar (Germany); Thamburaja, P., E-mail: prakash.thamburaja@gmail.com [Department of Mechanical & Materials Engineering, Universiti Kebangsaan Malaysia (UKM), Bangi 43600 (Malaysia); Rabczuk, T., E-mail: timon.rabczuk@tdt.edu.vn [Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City (Viet Nam); Faculty of Civil Engineering, Ton Duc Thang University, Ho Chi Minh City (Viet Nam)

2016-12-15

A previously-developed finite-deformation- and crystal-elasticity-based constitutive theory for stressed grain growth in cubic polycrystalline bodies has been augmented to include a description of excess surface energy and grain-growth stagnation mechanisms through the use of surface effect state variables in a thermodynamically-consistent manner. The constitutive theory was also implemented into a multiscale coupled finite-element and phase-field computational framework. With the material parameters in the constitutive theory suitably calibrated, our three-dimensional numerical simulations show that the constitutive model is able to accurately predict the experimentally-determined evolution of crystallographic texture and grain size statistics in polycrystalline copper thin films deposited on polyimide substrate and annealed at high-homologous temperatures. In particular, our numerical analyses show that the broad texture transition observed in the annealing experiments of polycrystalline thin films is caused by grain growth stagnation mechanisms. - Graphical abstract: - Highlights: • Developing a theory for stressed grain growth in polycrystalline thin films. • Implementation into a multiscale coupled finite-element and phase-field framework. • Quantitative reproduction of the experimental grain growth data by simulations. • Revealing the cause of texture transition to be due to the stagnation mechanisms.

Mixing Performance of a Suspended Stirrer for Homogenizing Biodegradable Food Waste from Eatery Centers

Directory of Open Access Journals (Sweden)

Olumide Babarinsa

2014-08-01

Full Text Available Numerical simulation of a suspended stirrer within a homogenizing system is performed towards determining the mixing performance of a homogenizer. A two-dimensional finite volume formulation is developed for the cylindrical system that is used for the storage and stirring of biodegradable food waste from eatery centers. The numerical solver incorporates an analysis of the property distribution for viscous food waste in a storage tank, while coupling the impact of mixing on the slurry fluid. Partial differential equations, which describe the conservation of mass, momentum and energy, are applied. The simulation covers the mixing and heating cycles of the slurry. Using carrot-orange soup as the operating fluid (and its thermofluid properties and assuming constant density and temperature-dependent viscosity, the velocity and temperature field distribution under the influence of the mixing source term are analyzed. A parametric assessment of the velocity and temperature fields is performed, and the results are expected to play a significant role in designing a homogenizer for biodegradable food waste.

Homogenization in thermoelasticity: application to composite materials

Energy Technology Data Exchange (ETDEWEB)

Peyroux, R [Lab. de Mecanique et Genie Civil, Univ. Montpellier 2, 34 Montpellier (France); Licht, C [Lab. de Mecanique et Genie Civil, Univ. Montpellier 2, 34 Montpellier (France)

1993-11-01

One of the obstacles to the industrial use of metal matrix composite materials is the damage they rapidly undergo when they are subjected to cyclic thermal loadings; local thermal stresses of high level can develop, sometimes nearby or over the elastic limit, due to the mismatch of elastic and thermal coefficients between the fibers and the matrix. For the same reasons, early cracks can appear in composites like ceramic-ceramic. Therefore, we investigate the linear thermoelastic behaviour of heterogeneous materials, taking account of the isentropic coupling term in the heat conduction equation. In the case of periodic materials, recent results, using the homogenization theory, allowed us to describe macroscopic and microscopic behaviours of such materials. This paper is concerned with the numerical simulation of this problem by a finite element method, using a multiscale approach. (orig.).

The Finite Deformation Dynamic Sphere Test Problem

Energy Technology Data Exchange (ETDEWEB)

Versino, Daniele [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brock, Jerry Steven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-09-02

In this manuscript we describe test cases for the dynamic sphere problem in presence of finite deformations. The spherical shell in exam is made of a homogeneous, isotropic or transverse isotropic material and elastic and elastic-plastic material behaviors are considered. Twenty cases, (a) to (t), are thus defined combining material types and boundary conditions. The inner surface radius, the outer surface radius and the material's density are kept constant for all the considered test cases and their values are r_i = 10mm, r_o = 20mm and p = 1000Kg/m³ respectively.

Neutron density decay constant in a non-multiplying lattice of finite size

International Nuclear Information System (INIS)

Deniz, V.C.

1965-01-01

This report presents a general theory, using the integral transport method, for obtaining the neutron density decay constant in a finite non-multiplying lattice. The theory is applied to obtain the expression for the diffusion coefficient. The case of a homogeneous medium with 1/v absorption and of finite size in all directions is treated in detail, assuming an isotropic scattering law. The decay constant is obtained up to the B 6 term. The expressions for the diffusion coefficient and for the diffusion cooling coefficient are the same as those obtained for a slab geometry by Nelkin, using the expansion in spherical harmonics of the Fourier transform in the spatial variable. Furthermore, explicit forms are obtained for the flux and the current. It is shown that the deviation of the actual flux from a Maxwellian is the flux generated in the medium, extended to infinity and deprived of its absorbing power, by various sources, each of which has a zero integral over all velocities. The study of the current permits the generalization of Fick's law. An independent integral method, valid for homogeneous media, is also presented. (author) [fr

Homogenization versus homogenization-free method to measure muscle glycogen fractions.

Science.gov (United States)

Mojibi, N; Rasouli, M

2016-12-01

The glycogen is extracted from animal tissues with or without homogenization using cold perchloric acid. Three methods were compared for determination of glycogen in rat muscle at different physiological states. Two groups of five rats were kept at rest or 45 minutes muscular activity. The glycogen fractions were extracted and measured by using three methods. The data of homogenization method shows that total glycogen decreased following 45 min physical activity and the change occurred entirely in acid soluble glycogen (ASG), while AIG did not change significantly. Similar results were obtained by using "total-glycogen-fractionation methods". The findings of "homogenization-free method" indicate that the acid insoluble fraction (AIG) was the main portion of muscle glycogen and the majority of changes occurred in AIG fraction. The results of "homogenization method" are identical with "total glycogen fractionation", but differ with "homogenization-free" protocol. The ASG fraction is the major portion of muscle glycogen and is more metabolically active form.

Convergence analysis of the rebalance methods in multiplying finite slab having periodic boundary conditions

International Nuclear Information System (INIS)

Hong, Ser Gi; Lee, Young Ouk; Song, Jae Seung

2009-01-01

This paper analyzes the convergence of the rebalance iteration methods for the discrete ordinates transport equation in the multiplying finite slab problem. The finite slab is assumed to be homogeneous and it has the periodic boundary conditions. A general formulation is used to include three well-known rebalance methods of the linearized form in a unified way. The rebalance iteration methods considered in this paper are the CMR (Coarse-Mesh Rebalance), the CMFD (Coarse-Mesh Finite Difference), and p-CMFD (Partial Current-Based Coarse Mesh Finite Difference) methods which have been popularly used in the reactor physics. The convergence analysis is performed with the well-known Fourier analysis through a linearization. The analyses are applied for one-group problems. The theoretical analysis shows that there are one fundamental mode and N-1 Eigen-modes which determine the convergence if the finite slab is divided into N uniform meshes. The numerical tests show that the Fourier convergence analysis provides the reasonable estimate of the numerical spectral radii for the model problems and the spectral radius for the finite slab approaches the one for the infinite slab as the thickness of the slab increases. (author)

Some non-linear physics in crystallographic structures

International Nuclear Information System (INIS)

Aubry, S.

1977-10-01

A summary of studies on simple but strongly nonlinear crystallographic models that make use of some methods in stochasticity is presented. Two one-dimensional models are described; one has been studied to understand some aspects of the nonlinear dynamics in crystals when close to the transition temperature, the other is for commensurability and incommensurability problems. Periodic orbits and the dynamics of a one-dimensional coupled double-well chain are considered, along with lattice locking and stochasticity

Electron diffraction study of {alpha}-AlMnSi crystals including non-crystallographic axes

Energy Technology Data Exchange (ETDEWEB)

Song, G.L.; Bursill, L.A.

1997-06-01

The structure of crystalline {alpha}-AlMnSi is examined by electron diffraction. Six distinct zone axes are examined, including both normal crystallographic and non-crystallographic zones axes, allowing the space group symmetry to be studied. Electron diffraction patterns characteristic of Pm3-bar were obtained for thicker specimens. However, for very thin specimens, as used for HRTEM imaging, the electron diffraction patterns were characteristic of Im3-bar space group symmetry. The structural basis of the Pm3-bar to Im3-bar transformation may be understood in terms of an analysis of the icosahedral structural elements located at the corners and body-centers of the cubic unit cell. A method for indexing the non-crystallographic zone axis diffraction patterns is described. An electron diffraction pattern of the 5-fold axis of the quasicrystalline phase i-AlMnSi is also included; this is compared with the experimental results and calculations for the [0{tau}1] axis of Pm3-bar and Im3-bar crystalline phases. 26 refs., 4 tabs., 7 figs.

Entanglement evolution after connecting finite to infinite quantum chains

International Nuclear Information System (INIS)

Eisler, V; Peschel, I; Karevski, D; Platini, T

2008-01-01

We study zero-temperature XX chains and transverse Ising chains and join an initially separate finite piece on one or on both sides to an infinite remainder. In both critical and non-critical systems we find a typical increase of the entanglement entropy after the quench, followed by a slow decay towards the value of the homogeneous chain. In the critical case, the predictions of conformal field theory are verified for the first phase of the evolution, while at late times a step structure can be observed

Finite Element Verification of Non-Homogeneous Strain and Stress Fields during Composite Material Testing

DEFF Research Database (Denmark)

Mikkelsen, Lars Pilgaard

2015-01-01

Uni-directional glass fiber reinforced polymers play a central role in the task increasing the length of wind turbines blades and thereby lowering the cost of energy from wind turbine installations. During this, optimizing the mechanical performance regarding material stiffness, compression...... strength and fatigue performance is essential. Nevertheless, testing composites includes some challenges regarding stiffness determination using conventional strain gauges and achieving correct material failure unaffected by the gripping region during fatigue testing. Challenges, which in the present study......, has been addressed using the finite element method. During this, a verification of experimental observations, a deeper understanding on the test coupon loading and thereby improved test methods has been achieved....

Comparison of different homogenization approaches for elastic–viscoplastic materials

International Nuclear Information System (INIS)

Mercier, S; Molinari, A; Berbenni, S; Berveiller, M

2012-01-01

Homogenization of linear viscoelastic and non-linear viscoplastic composite materials is considered in this paper. First, we compare two homogenization schemes based on the Mori–Tanaka method coupled with the additive interaction (AI) law proposed by Molinari et al (1997 Mech. Mater. 26 43–62) or coupled with a concentration law based on translated fields (TF) originally proposed for the self-consistent scheme by Paquin et al (1999 Arch. Appl. Mech. 69 14–35). These methods are also evaluated against (i) full-field calculations of the literature based on the finite element method and on fast Fourier transform, (ii) available analytical exact solutions obtained in linear viscoelasticity and (iii) homogenization methods based on variational approaches. Developments of the AI model are obtained for linear and non-linear material responses while results for the TF method are shown for the linear case. Various configurations are considered: spherical inclusions, aligned fibers, hard and soft inclusions, large material contrasts between phases, volume-preserving versus dilatant anelastic flow, non-monotonic loading. The agreement between the AI and TF methods is excellent and the correlation with full field calculations is in general of quite good quality (with some exceptions for non-linear composites with a large volume fraction of very soft inclusions for which a discrepancy of about 15% was found for macroscopic stress). Description of the material behavior with internal variables can be accounted for with the AI and TF approaches and therefore complex loadings can be easily handled in contrast with most hereditary approaches. (paper)

Microstructure, crystallographic texture and mechanical properties of friction stir welded AA2017A

Energy Technology Data Exchange (ETDEWEB)

Ahmed, M.M.Z., E-mail: mohamed_ahmed4@s-petrol.suez.edu.eg [Institute for Microstructural and Mechanical Processing Engineering, University of Sheffield (IMMPETUS), Mappin Street, Sheffield S1 3JD (United Kingdom); Department of Metallurgical and Materials Engineering, Suez Canal University, Suez 43721 (Egypt); Wynne, B.P.; Rainforth, W.M. [Institute for Microstructural and Mechanical Processing Engineering, University of Sheffield (IMMPETUS), Mappin Street, Sheffield S1 3JD (United Kingdom); Threadgill, P.L. [TWI LTD, Granta Park, Great Abington, Cambridge CB21 6AL (United Kingdom)

2012-02-15

In this study a thick section (20 mm) friction stir welded AA2017A-T451 has been characterized in terms of microstructure, crystallographic texture and mechanical properties. For microstructural analysis both optical and scanning electron microscopes have been used. A detailed crystallographic texture analysis has been carried out using the electron back scattering diffraction technique. Crystallographic texture has been examined in both shoulder and probe affected regions of the weld NG. An entirely weak texture is observed at the shoulder affected region which is mainly explained by the effect of the sequential multi pass deformation experienced by both tool probe and tool shoulder. The texture in the probe dominated region at the AS side of the weld is relatively weak but still assembles the simple shear texture of FCC metals with B/B{sup Macron} and C components existing across the whole map. However, the texture is stronger at the RS than at the AS of the weld, mainly dominated byB/B{sup Macron} components and with C component almost absent across the map. An alternating bands between (B) components and (B{sup Macron }) component are observed only at the AS side of the weld. - Highlights: Black-Right-Pointing-Pointer Detailed investigation of microstructure and crystallographic texture. Black-Right-Pointing-Pointer The grain size is varied from the top to the bottom of the NG. Black-Right-Pointing-Pointer An entirely weak texture is observed at the shoulder affected region. Black-Right-Pointing-Pointer The texture in the probe affected region is dominated by simple shear texture.

A note on Burgers' equation with time delay: Instability via finite-time blow-up

International Nuclear Information System (INIS)

Jordan, P.M.

2008-01-01

Burgers' equation with time delay is considered. Using the Cole-Hopf transformation, the exact solution of this nonlinear partial differential equation (PDE) is determined in the context of a (seemingly) well-posed initial-boundary value problem (IBVP) involving homogeneous Dirichlet data. The solution obtained, however, is shown to exhibit a delay-induced instability, suffering blow-up in finite-time

Pulsed-laser time-resolved thermal mirror technique in low-absorbance homogeneous linear elastic materials.

Science.gov (United States)

Lukasievicz, Gustavo V B; Astrath, Nelson G C; Malacarne, Luis C; Herculano, Leandro S; Zanuto, Vitor S; Baesso, Mauro L; Bialkowski, Stephen E

2013-10-01

A theoretical model for a time-resolved photothermal mirror technique using pulsed-laser excitation was developed for low absorption samples. Analytical solutions to the temperature and thermoelastic deformation equations are found for three characteristic pulse profiles and are compared to finite element analysis methods results for finite samples. An analytical expression for the intensity of the center of a continuous probe laser at the detector plane is derived using the Fresnel diffraction theory, which allows modeling of experimental results. Experiments are performed in optical glasses, and the models are fitted to the data. The parameters of the fit are in good agreement with previous literature data for absorption, thermal diffusion, and thermal expansion of the materials tested. The combined modeling and experimental techniques are shown to be useful for quantitative determination of the physical properties of low absorption homogeneous linear elastic material samples.

Numerical method for solution of transient, homogeneous, equilibrium, two-phase flows in one space dimension

International Nuclear Information System (INIS)

Shin, Y.W.; Wiedermann, A.H.

1979-10-01

A solution method is presented for transient, homogeneous, equilibrium, two-phase flows of a single-component fluid in one space dimension. The method combines a direct finite-difference procedure and the method of characteristics. The finite-difference procedure solves the interior points of the computing domain; the boundary information is provided by a separate procedure based on the characteristics theory. The solution procedure for boundary points requires information in addition to the physical boundary conditions. This additional information is obtained by a new procedure involving integration of characteristics in the hodograph plane. Sample problems involving various combinations of basic boundary types are calculated for two-phase water/steam mixtures and single-phase nitrogen gas, and compared with independent method-of-characteristics solutions using very fine characteristic mesh. In all cases, excellent agreement is demonstrated

Computational Homogenization of Mechanical Properties for Laminate Composites Reinforced with Thin Film Made of Carbon Nanotubes

Science.gov (United States)

El Moumen, A.; Tarfaoui, M.; Lafdi, K.

2018-06-01

Elastic properties of laminate composites based Carbone Nanotubes (CNTs), used in military applications, were estimated using homogenization techniques and compared to the experimental data. The composite consists of three phases: T300 6k carbon fibers fabric with 5HS (satin) weave, baseline pure Epoxy matrix and CNTs added with 0.5%, 1%, 2% and 4%. Two step homogenization methods based RVE model were employed. The objective of this paper is to determine the elastic properties of structure starting from the knowledge of those of constituents (CNTs, Epoxy and carbon fibers fabric). It is assumed that the composites have a geometric periodicity and the homogenization model can be represented by a representative volume element (RVE). For multi-scale analysis, finite element modeling of unit cell based two step homogenization method is used. The first step gives the properties of thin film made of epoxy and CNTs and the second is used for homogenization of laminate composite. The fabric unit cell is chosen using a set of microscopic observation and then identified by its ability to enclose the characteristic periodic repeat in the fabric weave. The unit cell model of 5-Harness satin weave fabric textile composite is identified for numerical approach and their dimensions are chosen based on some microstructural measurements. Finally, a good comparison was obtained between the predicted elastic properties using numerical homogenization approach and the obtained experimental data with experimental tests.

Numerical simulation of elasto-plastic deformation of composites: evolution of stress microfields and implications for homogenization models

Science.gov (United States)

González, C.; Segurado, J.; LLorca, J.

2004-07-01

The deformation of a composite made up of a random and homogeneous dispersion of elastic spheres in an elasto-plastic matrix was simulated by the finite element analysis of three-dimensional multiparticle cubic cells with periodic boundary conditions. "Exact" results (to a few percent) in tension and shear were determined by averaging 12 stress-strain curves obtained from cells containing 30 spheres, and they were compared with the predictions of secant homogenization models. In addition, the numerical simulations supplied detailed information of the stress microfields, which was used to ascertain the accuracy and the limitations of the homogenization models to include the nonlinear deformation of the matrix. It was found that secant approximations based on the volume-averaged second-order moment of the matrix stress tensor, combined with a highly accurate linear homogenization model, provided excellent predictions of the composite response when the matrix strain hardening rate was high. This was not the case, however, in composites which exhibited marked plastic strain localization in the matrix. The analysis of the evolution of the matrix stresses revealed that better predictions of the composite behavior can be obtained with new homogenization models which capture the essential differences in the stress carried by the elastic and plastic regions in the matrix at the onset of plastic deformation.

7 CFR 58.920 - Homogenization.

Science.gov (United States)

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Homogenization. 58.920 Section 58.920 Agriculture... Procedures § 58.920 Homogenization. Where applicable concentrated products shall be homogenized for the... homogenization and the pressure at which homogenization is accomplished will be that which accomplishes the most...

Origin of intragranular crystallographic misorientations in hot-dip Al-Zn-Si coatings

International Nuclear Information System (INIS)

Niederberger, Ch.; Michler, J.; Jacot, A.

2008-01-01

The origin of intragranular variations of the crystallographic orientation in hot-dip Al-Zn-Si coatings is discussed based on new experimental results and modelling. The solidification microstructure in as-received 55Al-43.4Zn-1.6Si (in wt.%) coatings deposited on steel plates in an industrial production line was analyzed by electron backscattered diffraction, glow-discharge optical emission spectroscopy and atomic force microscopy (AFM). The results were compared with those obtained in coatings re-solidified under different cooling and mechanical loading conditions. Continuous variations of the crystallographic orientation as large as 35 deg. were observed within individual grains of Al-Zn-Si, consistent with previous studies. However, the mechanisms previously proposed for the origin of intragranular crystallographic misorientations had to be revisited. The new experimental data acquired during this study indicate that the solidification shrinkage accumulating in the area of the grain envelope is the driving force for the formation of intragranular misorientations. The solidification shrinkage leads to the development of tensile stresses in the oxide film covering the coating while it solidifies. Estimations based on AFM profiles and phase field simulations of the dendritic structure indicate that the stresses applied on the dendrite network are sufficient to deform plastically the dendrite arms during solidification

Broadband three-dimensional diamond-shaped invisible cloaks composed of tetrahedral homogeneous blocks

International Nuclear Information System (INIS)

Wang Xinhua; Qu Shaobo; Wu Xiang; Wang Jiafu; Ma Hua; Xu Zhuo

2010-01-01

By means of embedded optical transformation, three-dimensional diamond-shaped invisible cloaks composed of tetrahedral homogeneous blocks have been designed in this paper. The constitutive parameters of the invisible cloaks can be obtained based on the form invariance of Maxwell's equations in coordinate transformation. Numerical methods using the finite element method verified the diamond-shaped cloaks. The invisible properties of the designed cloaks are nearly perfect when the original line section is sufficiently short compared with its counterpart in the after-transformed space. The designed cloaks can operate in a wide bandwidth due to the line transformation in the coordinate transformation process.

Self-impedances of finite and infinite wires with earth-return

International Nuclear Information System (INIS)

Koglin, H.J.; Meyer, E.P.

1981-01-01

The electromagnetic field for a thin wire of finite length, embedded in a homogeneous earth of infinite extent in all directions, is given. The distribution of the electric field intensity close to the wire is examined. The mathematical model for the finite wire is expanded by substituting a spheroidal earth-electrode at each end. The external self-impedance of the wire between the earth-electrodes is calculated by integrating the electric field intensity along a presupposed radius. Especially in the case of short wires the results show considerable deviations to the known depth of current penetration as compared to that of an infinitely long wire. By considering the approximations used for short wires in this model, one can draw conclusions on the external self-impedance for short wires above, on and under the earth's surface. (orig.) [de

A novel grain cluster-based homogenization scheme

International Nuclear Information System (INIS)

Tjahjanto, D D; Eisenlohr, P; Roters, F

2010-01-01

An efficient homogenization scheme, termed the relaxed grain cluster (RGC), for elasto-plastic deformations of polycrystals is presented. The scheme is based on a generalization of the grain cluster concept. A volume element consisting of eight (= 2 × 2 × 2) hexahedral grains is considered. The kinematics of the RGC scheme is formulated within a finite deformation framework, where the relaxation of the local deformation gradient of each individual grain is connected to the overall deformation gradient by the, so-called, interface relaxation vectors. The set of relaxation vectors is determined by the minimization of the constitutive energy (or work) density of the overall cluster. An additional energy density associated with the mismatch at the grain boundaries due to relaxations is incorporated as a penalty term into the energy minimization formulation. Effectively, this penalty term represents the kinematical condition of deformation compatibility at the grain boundaries. Simulations have been performed for a dual-phase grain cluster loaded in uniaxial tension. The results of the simulations are presented and discussed in terms of the effective stress–strain response and the overall deformation anisotropy as functions of the penalty energy parameters. In addition, the prediction of the RGC scheme is compared with predictions using other averaging schemes, as well as to the result of direct finite element (FE) simulation. The comparison indicates that the present RGC scheme is able to approximate FE simulation results of relatively fine discretization at about three orders of magnitude lower computational cost

Numerical Studies of Homogenization under a Fast Cellular Flow

KAUST Repository

Iyer, Gautam

2012-09-13

We consider a two dimensional particle diffusing in the presence of a fast cellular flow confined to a finite domain. If the flow amplitude A is held fixed and the number of cells L 2 →∞, then the problem homogenizes; this has been well studied. Also well studied is the limit when L is fixed and A→∞. In this case the solution averages along stream lines. The double limit as both the flow amplitude A→∞and the number of cells L 2 →∞was recently studied [G. Iyer et al., preprint, arXiv:1108.0074]; one observes a sharp transition between the homogenization and averaging regimes occurring at A = L 2. This paper numerically studies a few theoretically unresolved aspects of this problem when both A and L are large that were left open in [G. Iyer et al., preprint, arXiv:1108.0074] using the numerical method devised in [G. A. Pavliotis, A. M. Stewart, and K. C. Zygalakis, J. Comput. Phys., 228 (2009), pp. 1030-1055]. Our treatment of the numerical method uses recent developments in the theory of modified equations for numerical integrators of stochastic differential equations [K. C. Zygalakis, SIAM J. Sci. Comput., 33 (2001), pp. 102-130]. © 2012 Society for Industrial and Applied Mathematics.

Numerical Studies of Homogenization under a Fast Cellular Flow

KAUST Repository

Iyer, Gautam; Zygalakis, Konstantinos C.

2012-01-01

We consider a two dimensional particle diffusing in the presence of a fast cellular flow confined to a finite domain. If the flow amplitude A is held fixed and the number of cells L 2 →∞, then the problem homogenizes; this has been well studied. Also well studied is the limit when L is fixed and A→∞. In this case the solution averages along stream lines. The double limit as both the flow amplitude A→∞and the number of cells L 2 →∞was recently studied [G. Iyer et al., preprint, arXiv:1108.0074]; one observes a sharp transition between the homogenization and averaging regimes occurring at A = L 2. This paper numerically studies a few theoretically unresolved aspects of this problem when both A and L are large that were left open in [G. Iyer et al., preprint, arXiv:1108.0074] using the numerical method devised in [G. A. Pavliotis, A. M. Stewart, and K. C. Zygalakis, J. Comput. Phys., 228 (2009), pp. 1030-1055]. Our treatment of the numerical method uses recent developments in the theory of modified equations for numerical integrators of stochastic differential equations [K. C. Zygalakis, SIAM J. Sci. Comput., 33 (2001), pp. 102-130]. © 2012 Society for Industrial and Applied Mathematics.

Nonlinear quasi-static finite element simulations predict in vitro strength of human proximal femora assessed in a dynamic sideways fall setup.

Science.gov (United States)

Varga, Peter; Schwiedrzik, Jakob; Zysset, Philippe K; Fliri-Hofmann, Ladina; Widmer, Daniel; Gueorguiev, Boyko; Blauth, Michael; Windolf, Markus

2016-04-01

Osteoporotic proximal femur fractures are caused by low energy trauma, typically when falling on the hip from standing height. Finite element simulations, widely used to predict the fracture load of femora in fall, usually include neither mass-related inertial effects, nor the viscous part of bone׳s material behavior. The aim of this study was to elucidate if quasi-static non-linear homogenized finite element analyses can predict in vitro mechanical properties of proximal femora assessed in dynamic drop tower experiments. The case-specific numerical models of 13 femora predicted the strength (R(2)=0.84, SEE=540N, 16.2%), stiffness (R(2)=0.82, SEE=233N/mm, 18.0%) and fracture energy (R(2)=0.72, SEE=3.85J, 39.6%); and provided fair qualitative matches with the fracture patterns. The influence of material anisotropy was negligible for all predictions. These results suggest that quasi-static homogenized finite element analysis may be used to predict mechanical properties of proximal femora in the dynamic sideways fall situation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Crystallographic investigation of grain selection during initial solidification

International Nuclear Information System (INIS)

Esaka, H; Shinozuka, K; Kataoka, Y

2016-01-01

Normally, macroscopic solidified structure consists of chill, columnar and equiaxed zones. In a chill zone, many fine grains nucleate on the mold surface and grow their own preferred growth direction. Only a few of them continue to grow because of grain selection. In order to understand the grain selection process, crystallographic investigation has been carried out in the zone of initial solidification in this study. 10 g of Al-6 wt%Si alloy was melted at 850 °C and poured on the thick copper plate. Longitudinal cross section of the solidified shell was observed by a SEM and analyzed by EBSD. The result of EBSD mapping reveals that crystallographic orientation was random in the range of initial solidification. Further, some grains are elongated along their <100> direction. Columnar grains, whose growth directions are almost parallel to the heat flow direction, develop via grain selection. Here, a dendrite whose growth direction is close to the heat flow direction overgrows the other dendrite whose growth direction is far from the heat flow direction. However, sometimes we observed that dendrite, whose zenith angle is large, overgrew the other dendrite. It can be deduced that the time of nucleation on the mold surface is not constant. (paper)

Auxeticity of Yukawa Systems with Nanolayers in the (111 Crystallographic Plane

Directory of Open Access Journals (Sweden)

Paweł M. Pigłowski

2017-11-01

Full Text Available Elastic properties of model crystalline systems, in which the particles interact via the hard potential (infinite when any particles overlap and zero otherwise and the hard-core repulsive Yukawa interaction, were determined by Monte Carlo simulations. The influence of structural modifications, in the form of periodic nanolayers being perpendicular to the crystallographic axis [111], on auxetic properties of the crystal was investigated. It has been shown that the hard sphere nanolayers introduced into Yukawa crystals allow one to control the elastic properties of the system. It has been also found that the introduction of the Yukawa monolayers to the hard sphere crystal induces auxeticity in the [ 11 1 ¯ ] [ 112 ] -direction, while maintaining the negative Poisson’s ratio in the [ 110 ] [ 1 1 ¯ 0 ] -direction, thus expanding the partial auxeticity of the system to an additional important crystallographic direction.

Surface crystallographic structures of cellulose nanofiber films and overlayers of pentacene

Science.gov (United States)

Nakayama, Yasuo; Mori, Toshiaki; Tsuruta, Ryohei; Yamanaka, Soichiro; Yoshida, Koki; Imai, Kento; Koganezawa, Tomoyuki; Hosokai, Takuya

2018-03-01

Cellulose nanofibers or nanocellulose is a promising recently developed biomass and biodegradable material used for various applications. In order to utilize this material as a substrate in organic electronic devices, thorough understanding of the crystallographic structures of the surfaces of the nanocellulose composites and of their interfaces with organic semiconductor molecules is essential. In this work, surface crystallographic structures of nanocellulose films (NCFs) and overlayers of pentacene were investigated by two-dimensional grazing-incidence X-ray diffraction. The NCFs are found to crystallize on solid surfaces with the crystal lattice preserving the same structure of the known bulk phase, whereas distortion of interchain packing toward the surface normal direction is suggested. The pentacene overlayers on the NCFs are found to form the thin-film phase with an in-plane mean crystallite size of over 10 nm.

Fuel micro-mechanics: homogenization, cracking, granular media

International Nuclear Information System (INIS)

Monerie, Yann

2010-01-01

This work summarizes about fifteen years of research in the field of micro-mechanics of materials. Emphasis is placed on the most recent work carried out in the context of nuclear safety. Micro-mechanics finds a natural place there, aiming to predict the behavior of heterogeneous materials with an evolving microstructure. The applications concerned mainly involve the nuclear fuel and its tubular cladding. The uranium dioxide fuel is modeled, according to the scales under consideration, as a porous ceramic or a granular medium. The strongly irradiated Zircaloy claddings are identified with a composite medium with a metal matrix and a gradient of properties. The analysis of these classes of material is rich in problems of a more fundamental nature. Three main themes are discussed: 1/ Homogenization, 2/ cracking, rupture and fragmentation, 3/ discrete media and fluid-grain couplings. Homogenization: The analytical scale change methods proposed aim to estimate or limit the linear and equivalent nonlinear behaviors of isotropic porous media and anisotropic composites with a metal matrix. The porous media under consideration are saturated or drained, with a compressible or incompressible matrix, and have one or two scales of spherical or ellipsoid pores, or cracks. The composites studied have a macroscopic anisotropy related to that of the matrix, and to the shape and spatial distribution of the inclusions. Thermoelastic, elastoplastic, and viscoplastic behaviors and ductile damage of these media are examined using different techniques: extensions of classic approaches, linear in particular, variational approaches and approaches using elliptical potentials with thermally activated elementary mechanisms. The models developed are validated on numerical finite element simulations, and their functional relevance is illustrated in comparison to experimental data obtained from the literature. The significant results obtained include a plasticity criterion for Gurson matrix

The crystallographic space groups and Heterotic string theory

International Nuclear Information System (INIS)

El Naschie, M.S.

2009-01-01

While the 17 planar crystallographic groups were shown to correspond to 17 two and three Stein spaces with a total dimension equal to DimE12=5α-bar o ≅685, the present work reveals that the corresponding 219 three dimensional groups leads to a total dimensionality equal to N o ≅8872 which happens to be the exact total number of massless states of the transfinite version of Heterotic super string spectrum.

Towards automated crystallographic structure refinement with phenix.refine

OpenAIRE

Afonine, Pavel V.; Grosse-Kunstleve, Ralf W.; Echols, Nathaniel; Headd, Jeffrey J.; Moriarty, Nigel W.; Mustyakimov, Marat; Terwilliger, Thomas C.; Urzhumtsev, Alexandre; Zwart, Peter H.; Adams, Paul D.

2012-01-01

phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. It has several automation features and is also highly flexible. Several hundred parameters enable extensive customizations for complex use cases. Multiple user-defined refinement strategies can be applied to specific parts of the model in a single refinement run. An i...

Microstructural and Microhardness Evolution from Homogenization and Hot Isostatic Pressing on Selective Laser Melted Inconel 718: Structure, Texture, and Phases

Directory of Open Access Journals (Sweden)

Raiyan Seede

2018-05-01

Full Text Available In this work, the microstructure, texture, phases, and microhardness of 45° printed (with respect to the build direction homogenized, and hot isostatically pressed (HIP cylindrical IN718 specimens are investigated. Phase morphology, grain size, microhardness, and crystallographic texture at the bottom of each specimen differ from those of the top due to changes in cooling rate. High cooling rates during the printing process generated a columnar grain structure parallel to the building direction in the as-printed condition with a texture transition from (001 orientation at the bottom of the specimen to (111 orientation towards the specimen top based on EBSD analysis. A mixed columnar and equiaxed grain structure associated with about a 15% reduction in texture is achieved after homogenization treatment. HIP treatment caused significant grain coarsening, and engendered equiaxed grains with an average diameter of 154.8 µm. These treatments promoted the growth of δ-phase (Ni3Nb and MC-type brittle (Ti, NbC carbides at grain boundaries. Laves phase (Fe2Nb was also observed in the as-printed and homogenized specimens. Ostwald ripening of (Ti, NbC carbides caused excessive grain growth at the bottom of the HIPed IN718 specimens, while smaller grains were observed at their top. Microhardness in the as-fabricated specimens was 236.9 HV and increased in the homogenized specimens by 19.3% to 282.6 HV due to more even distribution of secondary precipitates, and the nucleation of smaller grains. A 36.1% reduction in microhardness to 180.5 HV was found in the HIPed condition due to   γ ″ phase dissolution and differences in grain morphology.

Studies on the numerical solution of three-dimensional stationary diffusion equations using the finite element method

International Nuclear Information System (INIS)

Franke, H.P.

1976-05-01

The finite element method is applied to the solution of the stationary 3D group diffusion equations. For this, a programme system with the name of FEM3D is established which also includes a module for semi-automatic mesh generation. Tetrahedral finite elements are used. The neutron fluxes are described by complete first- or second-order Lagrangian polynomials. General homogeneous boundary conditions are allowed. The studies show that realistic three-dimensional problems can be solved at less expense by iterative methods, in particular so when especially adapted matrix handling and storage schemes are used efficiently. (orig./RW) [de

Collapse and dispersal of a homogeneous spin fluid in Einstein-Cartan theory

Science.gov (United States)

Hashemi, M.; Jalalzadeh, S.; Ziaie, A. H.

2015-02-01

In the present work, we revisit the process of gravitational collapse of a spherically symmetric homogeneous dust fluid which is described by the Oppenheimer-Snyder (OS) model (Oppenheimer and Snyder in Phys Rev D 56:455, 1939). We show that such a scenario would not end in a spacetime singularity when the spin degrees of freedom of fermionic particles within the collapsing cloud are taken into account. To this purpose, we take the matter content of the stellar object as a homogeneous Weyssenhoff fluid. Employing the homogeneous and isotropic FLRW metric for the interior spacetime setup, it is shown that the spin of matter, in the context of a negative pressure, acts against the pull of gravity and decelerates the dynamical evolution of the collapse in its later stages. Our results show a picture of gravitational collapse in which the collapse process halts at a finite radius, whose value depends on the initial configuration. We thus show that the spacetime singularity that occurs in the OS model is replaced by a non-singular bounce beyond which the collapsing cloud re-expands to infinity. Depending on the model parameters, one can find a minimum value for the boundary of the collapsing cloud or correspondingly a threshold value for the mass content below which the horizon formation can be avoided. Our results are supported by a thorough numerical analysis.

Collapse and dispersal of a homogeneous spin fluid in Einstein-Cartan theory

International Nuclear Information System (INIS)

Hashemi, M.; Jalalzadeh, S.; Ziaie, A.H.

2015-01-01

In the present work, we revisit the process of gravitational collapse of a spherically symmetric homogeneous dust fluid which is described by the Oppenheimer-Snyder (OS) model (Oppenheimer and Snyder in Phys Rev D 56:455, 1939). We show that such a scenario would not end in a spacetime singularity when the spin degrees of freedom of fermionic particles within the collapsing cloud are taken into account. To this purpose, we take the matter content of the stellar object as a homogeneous Weyssenhoff fluid. Employing the homogeneous and isotropic FLRW metric for the interior spacetime setup, it is shown that the spin of matter, in the context of a negative pressure, acts against the pull of gravity and decelerates the dynamical evolution of the collapse in its later stages. Our results show a picture of gravitational collapse in which the collapse process halts at a finite radius, whose value depends on the initial configuration. We thus show that the spacetime singularity that occurs in the OS model is replaced by a non-singular bounce beyond which the collapsing cloud re-expands to infinity. Depending on the model parameters, one can find a minimum value for the boundary of the collapsing cloud or correspondingly a threshold value for the mass content below which the horizon formation can be avoided. Our results are supported by a thorough numerical analysis. (orig.)

Homogenization of Mammalian Cells.

Science.gov (United States)

de Araújo, Mariana E G; Lamberti, Giorgia; Huber, Lukas A

2015-11-02

Homogenization is the name given to the methodological steps necessary for releasing organelles and other cellular constituents as a free suspension of intact individual components. Most homogenization procedures used for mammalian cells (e.g., cavitation pump and Dounce homogenizer) rely on mechanical force to break the plasma membrane and may be supplemented with osmotic or temperature alterations to facilitate membrane disruption. In this protocol, we describe a syringe-based homogenization method that does not require specialized equipment, is easy to handle, and gives reproducible results. The method may be adapted for cells that require hypotonic shock before homogenization. We routinely use it as part of our workflow to isolate endocytic organelles from mammalian cells. © 2015 Cold Spring Harbor Laboratory Press.

Magnetic fields produced by rotating symmetrical bodies with homogeneous surface charge density

International Nuclear Information System (INIS)

Espejel-Morales, R; Murguía-Romero, G; Calles, A; Cabrera-Bravo, E; Morán-López, J L

2016-01-01

We present a numerical calculation for the stationary magnetic field produced by different rotating bodies with homogeneous and constant surface charge density. The calculation is done by superposing the magnetic field produced by a set of loops of current which mimic the magnetic field produced by belts of current defined by slices of fixed width. We consider the cases of a sphere, ellipsoids, open and closed cylinders and a combination of these in a dumbbell -like shell. We also plot their magnetic field lines using a technique that make use of the Runge–Kutta fourth-order method. Up to our knowledge, the case of closed cylinders was not calculated before. In contrast to previous results, we find that the magnetic field inside finite hollow bodies is homogeneous only in the case of a sphere. This is consequence of the fact that, for the sphere, the surface of any slice taken perpendicularly to the rotation axis, depends only on its thickness, like in the case of an infinite cylinder. (paper)

A quasi-Lagrangian finite element method for the Navier-Stokes equations in a time-dependent domain

Science.gov (United States)

Lozovskiy, Alexander; Olshanskii, Maxim A.; Vassilevski, Yuri V.

2018-05-01

The paper develops a finite element method for the Navier-Stokes equations of incompressible viscous fluid in a time-dependent domain. The method builds on a quasi-Lagrangian formulation of the problem. The paper provides stability and convergence analysis of the fully discrete (finite-difference in time and finite-element in space) method. The analysis does not assume any CFL time-step restriction, it rather needs mild conditions of the form $\\Delta t\\le C$, where $C$ depends only on problem data, and $h^{2m_u+2}\\le c\\,\\Delta t$, $m_u$ is polynomial degree of velocity finite element space. Both conditions result from a numerical treatment of practically important non-homogeneous boundary conditions. The theoretically predicted convergence rate is confirmed by a set of numerical experiments. Further we apply the method to simulate a flow in a simplified model of the left ventricle of a human heart, where the ventricle wall dynamics is reconstructed from a sequence of contrast enhanced Computed Tomography images.

Functionality and homogeneity.

NARCIS (Netherlands)

2011-01-01

Functionality and homogeneity are two of the five Sustainable Safety principles. The functionality principle aims for roads to have but one exclusive function and distinguishes between traffic function (flow) and access function (residence). The homogeneity principle aims at differences in mass,

Crystallographic orientation study of silicon steels using X-ray diffraction, electrons diffraction and the Etch Pit method

International Nuclear Information System (INIS)

Santos, Hamilta de Oliveira

1999-01-01

The aim of the present study is the microstructural and crystallographic orientation of Fe-3%Si steel. The silicon steel shows good electrical properties and it is used in the nuclear and electrical power fields. The studied steel was supplied by Cia. Acos Especiais Itabira S/A - ACESITA. The material was received in the hot compressed condition, in one or two passes. The hot compressing temperatures used were 900, 1000 and 1100 deg C with soaking times ranging from 32 to 470 s. The material preferential crystallographic orientation was evaluated in every grain of the samples. The characterization techniques used were: scanning electron microscopy (SEM) using the etch pit method; X ray diffraction using the Laue back-reflection method; orientation imaging microscopy (OIM). Microstructural characterization in terms of grain size measurement and mean number of grains in the sample were also undertaken. The Laue method was found an easy technique to access crystallographic orientation of this work polycrystalline samples 2.5 mm average grain size. This was due to the inability to focus the X-rays on a single grain of the material. The scanning electron microscopy showed microcavities left by the etch pit method, which allowed the observation of the crystallographic orientation of each grain from the samples. No conclusive grain crystallographic orientation was possible to obtain by the OIM technique due to the non-existing rolling direction. A more extensive work with the OIM technique must be undertaken on the Fe-3%Si with oriented grains and non oriented grains. (author)

Finding the Pareto Optimal Equitable Allocation of Homogeneous Divisible Goods Among Three Players

Directory of Open Access Journals (Sweden)

Marco Dall'Aglio

2017-01-01

Full Text Available We consider the allocation of a finite number of homogeneous divisible items among three players. Under the assumption that each player assigns a positive value to every item, we develop a simple algorithm that returns a Pareto optimal and equitable allocation. This is based on the tight relationship between two geometric objects of fair division: The Individual Pieces Set (IPS and the Radon-Nykodim Set (RNS. The algorithm can be considered as an extension of the Adjusted Winner procedure by Brams and Taylor to the three-player case, without the guarantee of envy-freeness. (original abstract

A preliminary neutron crystallographic study of proteinase K at pD 6.5

Energy Technology Data Exchange (ETDEWEB)

Gardberg, Anna S [ORNL; Blakeley, Matthew P. [Institut Laue-Langevin (ILL); Myles, Dean A A [ORNL

2009-01-01

AbstractA preliminary neutron crystallographic study of the proteolytic enzyme proteinase K is presented. Large hydrogenated crystals were prepared in deuterated crystallization buffer using the vapour-diffusion method. Data were collected to a resolution of 2.3 on the LADI-III diffractometer at the Institut Laue Langevin (ILL) in 2.5 days. The results demonstrate the feasibility of a full neutron crystallographic analysis of this structure aimed at providing relevant information on the location of H atoms, particularly at the active site. This information will contribute to further understanding of the molecular mechanisms underlying proteinase K's catalytic activity and to an enriched understanding of the subtilisin clan of serine proteases.

Homogenization of resonant chiral metamaterials

DEFF Research Database (Denmark)

Andryieuski, Andrei; Menzel, C.; Rockstuhl, Carsten

2010-01-01

Homogenization of metamaterials is a crucial issue as it allows to describe their optical response in terms of effective wave parameters as, e.g., propagation constants. In this paper we consider the possible homogenization of chiral metamaterials. We show that for meta-atoms of a certain size...... an analytical criterion for performing the homogenization and a tool to predict the homogenization limit. We show that strong coupling between meta-atoms of chiral metamaterials may prevent their homogenization at all....

Stochastic ℋ∞ Finite-Time Control of Discrete-Time Systems with Packet Loss

Directory of Open Access Journals (Sweden)

Yingqi Zhang

2012-01-01

Full Text Available This paper investigates the stochastic finite-time stabilization and ℋ∞ control problem for one family of linear discrete-time systems over networks with packet loss, parametric uncertainties, and time-varying norm-bounded disturbance. Firstly, the dynamic model description studied is given, which, if the packet dropout is assumed to be a discrete-time homogenous Markov process, the class of discrete-time linear systems with packet loss can be regarded as Markovian jump systems. Based on Lyapunov function approach, sufficient conditions are established for the resulting closed-loop discrete-time system with Markovian jumps to be stochastic ℋ∞ finite-time boundedness and then state feedback controllers are designed to guarantee stochastic ℋ∞ finite-time stabilization of the class of stochastic systems. The stochastic ℋ∞ finite-time boundedness criteria can be tackled in the form of linear matrix inequalities with a fixed parameter. As an auxiliary result, we also give sufficient conditions on the robust stochastic stabilization of the class of linear systems with packet loss. Finally, simulation examples are presented to illustrate the validity of the developed scheme.

The use of Fourier reverse transforms in crystallographic phase refinement

Energy Technology Data Exchange (ETDEWEB)

Ringrose, Sharon [Iowa State Univ., Ames, IA (United States)

1997-10-08

Often a crystallographer obtains an electron density map which shows only part of the structure. In such cases, the phasing of the trial model is poor enough that the electron density map may show peaks in some of the atomic positions, but other atomic positions are not visible. There may also be extraneous peaks present which are not due to atomic positions. A method for determination of crystal structures that have resisted solution through normal crystallographic methods has been developed. PHASER is a series of FORTRAN programs which aids in the structure solution of poorly phased electron density maps by refining the crystallographic phases. It facilitates the refinement of such poorly phased electron density maps for difficult structures which might otherwise not be solvable. The trial model, which serves as the starting point for the phase refinement, may be acquired by several routes such as direct methods or Patterson methods. Modifications are made to the reverse transform process based on several assumptions. First, the starting electron density map is modified based on the fact that physically the electron density map must be non-negative at all points. In practice a small positive cutoff is used. A reverse Fourier transform is computed based on the modified electron density map. Secondly, the authors assume that a better electron density map will result by using the observed magnitudes of the structure factors combined with the phases calculated in the reverse transform. After convergence has been reached, more atomic positions and less extraneous peaks are observed in the refined electron density map. The starting model need not be very large to achieve success with PHASER; successful phase refinement has been achieved with a starting model that consists of only 5% of the total scattering power of the full molecule. The second part of the thesis discusses three crystal structure determinations.

Towards automated crystallographic structure refinement with phenix.refine

Energy Technology Data Exchange (ETDEWEB)

Afonine, Pavel V., E-mail: pafonine@lbl.gov; Grosse-Kunstleve, Ralf W.; Echols, Nathaniel; Headd, Jeffrey J.; Moriarty, Nigel W. [Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States); Mustyakimov, Marat; Terwilliger, Thomas C. [Los Alamos National Laboratory, M888, Los Alamos, NM 87545 (United States); Urzhumtsev, Alexandre [CNRS–INSERM–UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Université Henri Poincaré, Nancy 1, BP 239, 54506 Vandoeuvre-lès-Nancy (France); Zwart, Peter H. [Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, MS64R0121, Berkeley, CA 94720 (United States); University of California Berkeley, Berkeley, CA 94720 (United States)

2012-04-01

phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods. phenix.refine is a program within the PHENIX package that supports crystallographic structure refinement against experimental data with a wide range of upper resolution limits using a large repertoire of model parameterizations. It has several automation features and is also highly flexible. Several hundred parameters enable extensive customizations for complex use cases. Multiple user-defined refinement strategies can be applied to specific parts of the model in a single refinement run. An intuitive graphical user interface is available to guide novice users and to assist advanced users in managing refinement projects. X-ray or neutron diffraction data can be used separately or jointly in refinement. phenix.refine is tightly integrated into the PHENIX suite, where it serves as a critical component in automated model building, final structure refinement, structure validation and deposition to the wwPDB. This paper presents an overview of the major phenix.refine features, with extensive literature references for readers interested in more detailed discussions of the methods.

Investigation of dynamics of discrete framed structures by a numerical wave-based method and an analytical homogenization approach

Directory of Open Access Journals (Sweden)

Changwei Zhou

2017-02-01

Full Text Available In this article, the analytical homogenization method of periodic discrete media (HPDM and the numerical condensed wave finite element method (CWFEM are employed to study the longitudinal and transverse vibrations of framed structures. The valid frequency range of the HPDM is re-evaluated using the wave propagation feature identified by the CWFEM. The relative error of the wavenumber by the HPDM compared to that by the CWFEM is illustrated in functions of frequency and scale ratio. A parametric study on the thickness of the structure is carried out where the dispersion relation and the relative error are given for three different thicknesses. The dynamics of a finite structure such as natural frequency and forced response are also investigated using the HPDM and the CWFEM.

Effect of crystallographic texture on the bulk magnetic properties of non-oriented electrical steels

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Pampa, E-mail: pampaghosh@gmail.com [Department of Mining and Materials Engineering, McGill University, 3610 University Street, Montreal, Quebec, Canada H3A 0C5 (Canada); Chromik, Richard R., E-mail: richard.chromik@mcgill.ca [Department of Mining and Materials Engineering, McGill University, 3610 University Street, Montreal, Quebec, Canada H3A 0C5 (Canada); Vashegi, Babak; Knight, Andrew M. [Department of Electrical and Computer Engineering, University of Alberta, Edmonton, Alberta, Canada T6G 2V4 (Canada)

2014-09-01

Quantitative physical models for non-oriented electrical steels require precise knowledge of chemical and microstructural parameters for the material, with crystallographic texture being one of the most important. Describing the structure–property relationships in these materials is made difficult in that all of the parameters have an effect on magnetic properties. In the present study, a set of non-oriented electrical steel specimens are examined, where chemistry and grain size are kept similar from sample to sample, but texture is varied. A new texture parameter called Magnetic Texture Factor is introduced which is defined as the ratio of the volume fractions of 〈100〉 direction to 〈111〉 direction along magnetization vector. It was found that this Magnetic Texture Factor was a better parameter for identifying trends of magnetic properties with crystallographic texture than the often used Texture Factor, which is described as the ratio of the volume fractions of {100} planes to {111} planes. - Highlights: • Magnetic properties of a set of electrical steels were measured. • The effect of crystallographic texture was isolated from other material parameters. • A new texture factor is introduced called the Magnetic Texture Factor.

Analytic Coarse-Mesh Finite-Difference Method Generalized for Heterogeneous Multidimensional Two-Group Diffusion Calculations

International Nuclear Information System (INIS)

Garcia-Herranz, Nuria; Cabellos, Oscar; Aragones, Jose M.; Ahnert, Carol

2003-01-01

In order to take into account in a more effective and accurate way the intranodal heterogeneities in coarse-mesh finite-difference (CMFD) methods, a new equivalent parameter generation methodology has been developed and tested. This methodology accounts for the dependence of the nodal homogeneized two-group cross sections and nodal coupling factors, with interface flux discontinuity (IFD) factors that account for heterogeneities on the flux-spectrum and burnup intranodal distributions as well as on neighbor effects.The methodology has been implemented in an analytic CMFD method, rigorously obtained for homogeneous nodes with transverse leakage and generalized now for heterogeneous nodes by including IFD heterogeneity factors. When intranodal mesh node heterogeneity vanishes, the heterogeneous solution tends to the analytic homogeneous nodal solution. On the other hand, when intranodal heterogeneity increases, a high accuracy is maintained since the linear and nonlinear feedbacks on equivalent parameters have been shown to be as a very effective way of accounting for heterogeneity effects in two-group multidimensional coarse-mesh diffusion calculations

Microstructural evolution during the homogenization heat treatment of 6XXX and 7XXX aluminum alloys

Science.gov (United States)

Priya, Pikee

Homogenization heat treatment of as-cast billets is an important step in the processing of aluminum extrusions. Microstructural evolution during homogenization involves elimination of the eutectic morphology by spheroidisation of the interdendritic phases, minimization of the microsegregation across the grains through diffusion, dissolution of the low-melting phases, which enhances the surface finish of the extrusions, and precipitation of nano-sized dispersoids (for Cr-, Zr-, Mn-, Sc-containing alloys), which inhibit grain boundary motion to prevent recrystallization. Post-homogenization cooling reprecipitates some of the phases, changing the flow stress required for subsequent extrusion. These precipitates, however, are deleterious for the mechanical properties of the alloy and also hamper the age-hardenability and are hence dissolved during solution heat treatment. Microstructural development during homogenization and subsequent cooling occurs both at the length scale of the Secondary Dendrite Arm Spacing (SDAS) in micrometers and dispersoids in nanometers. Numerical tools to simulate microstructural development at both the length scales have been developed and validated against experiments. These tools provide easy and convenient means to study the process. A Cellular Automaton-Finite Volume-based model for evolution of interdendritic phases is coupled with a Particle Size Distribution-based model for precipitation of dispersoids across the grain. This comprehensive model has been used to study the effect of temperature, composition, as-cast microstructure, and cooling rates during post-homogenization quenching on microstructural evolution. The numerical study has been complimented with experiments involving Scanning Electron Microscopy, Energy Dispersive Spectroscopy, X-Ray Diffraction and Differential Scanning Calorimetry and a good agreement has with numerical results has been found. The current work aims to study the microstructural evolution during

A hybrid finite element analysis and evolutionary computation method for the design of lightweight lattice components with optimized strut diameter

DEFF Research Database (Denmark)

Salonitis, Konstantinos; Chantzis, Dimitrios; Kappatos, Vasileios

2017-01-01

approaches or with the use of topology optimization methodologies. An optimization approach utilizing multipurpose optimization algorithms has not been proposed yet. This paper presents a novel user-friendly method for the design optimization of lattice components towards weight minimization, which combines...... finite element analysis and evolutionary computation. The proposed method utilizes the cell homogenization technique in order to reduce the computational cost of the finite element analysis and a genetic algorithm in order to search for the most lightweight lattice configuration. A bracket consisting...

Finite difference applied to the reconstruction method of the nuclear power density distribution

International Nuclear Information System (INIS)

Pessoa, Paulo O.; Silva, Fernando C.; Martinez, Aquilino S.

2016-01-01

Highlights: • A method for reconstruction of the power density distribution is presented. • The method uses discretization by finite differences of 2D neutrons diffusion equation. • The discretization is performed homogeneous meshes with dimensions of a fuel cell. • The discretization is combined with flux distributions on the four node surfaces. • The maximum errors in reconstruction occur in the peripheral water region. - Abstract: In this reconstruction method the two-dimensional (2D) neutron diffusion equation is discretized by finite differences, employed to two energy groups (2G) and meshes with fuel-pin cell dimensions. The Nodal Expansion Method (NEM) makes use of surface discontinuity factors of the node and provides for reconstruction method the effective multiplication factor of the problem and the four surface average fluxes in homogeneous nodes with size of a fuel assembly (FA). The reconstruction process combines the discretized 2D diffusion equation by finite differences with fluxes distribution on four surfaces of the nodes. These distributions are obtained for each surfaces from a fourth order one-dimensional (1D) polynomial expansion with five coefficients to be determined. The conditions necessary for coefficients determination are three average fluxes on consecutive surfaces of the three nodes and two fluxes in corners between these three surface fluxes. Corner fluxes of the node are determined using a third order 1D polynomial expansion with four coefficients. This reconstruction method uses heterogeneous nuclear parameters directly providing the heterogeneous neutron flux distribution and the detailed nuclear power density distribution within the FAs. The results obtained with this method has good accuracy and efficiency when compared with reference values.

Homogeneous crystal nucleation in polymers.

Science.gov (United States)

Schick, C; Androsch, R; Schmelzer, J W P

2017-11-15

The pathway of crystal nucleation significantly influences the structure and properties of semi-crystalline polymers. Crystal nucleation is normally heterogeneous at low supercooling, and homogeneous at high supercooling, of the polymer melt. Homogeneous nucleation in bulk polymers has been, so far, hardly accessible experimentally, and was even doubted to occur at all. This topical review summarizes experimental findings on homogeneous crystal nucleation in polymers. Recently developed fast scanning calorimetry, with cooling and heating rates up to 10 6 K s -1 , allows for detailed investigations of nucleation near and even below the glass transition temperature, including analysis of nuclei stability. As for other materials, the maximum homogeneous nucleation rate for polymers is located close to the glass transition temperature. In the experiments discussed here, it is shown that polymer nucleation is homogeneous at such temperatures. Homogeneous nucleation in polymers is discussed in the framework of the classical nucleation theory. The majority of our observations are consistent with the theory. The discrepancies may guide further research, particularly experiments to progress theoretical development. Progress in the understanding of homogeneous nucleation is much needed, since most of the modelling approaches dealing with polymer crystallization exclusively consider homogeneous nucleation. This is also the basis for advancing theoretical approaches to the much more complex phenomena governing heterogeneous nucleation.

Feasibility Study of Aseptic Homogenization: Affecting Homogenization Steps on Quality of Sterilized Coconut Milk

Directory of Open Access Journals (Sweden)

Phungamngoen Chanthima

2016-01-01

Full Text Available Coconut milk is one of the most important protein-rich food sources available today. Separation of an emulsion into an aqueous phase and cream phase is commonly occurred and this leads an unacceptably physical defect of either fresh or processed coconut milk. Since homogenization steps are known to affect the stability of coconut milk. This work was aimed to study the effect of homogenization steps on quality of coconut milk. The samples were subject to high speed homogenization in the range of 5000-15000 rpm under sterilize temperatures at 120-140 °C for 15 min. The result showed that emulsion stability increase with increasing speed of homogenization. The lower fat particles were generated and easy to disperse in continuous phase lead to high stability. On the other hand, the stability of coconut milk decreased, fat globule increased, L value decreased and b value increased when the high sterilization temperature was applied. Homogenization after heating led to higher stability than homogenization before heating due to the reduced particle size of coconut milk after aggregation during sterilization process. The results implied that homogenization after sterilization process might play an important role on the quality of the sterilized coconut milk.

Influence of different kinds of rolling on the crystallographic texture and magnetic induction of a NOG 3 wt% Si steel

Science.gov (United States)

Silva, J. M.; Baêta Júnior, E. S.; Moraes, N. R. D. C.; Botelho, R. A.; Felix, R. A. C.; Brandao, L.

2017-01-01

The purpose of this work was to study the influence of different kinds of rolling on the magnetic properties of NOG steel, an electric steel widely used in electrical motors. These properties are highly correlated with the crystallographic texture of the material, which can be changed by rolling. Three kinds of rolling were examined: conventional rolling, cross-rolling and asymmetrical rolling. The crystallographic texture was determined by X-ray diffraction and the magnetic properties were calculated from a theoretical model that related the magnetic induction to crystallographic texture through the anisotropy energy. The results show that cross-rolling yields higher values of magnetic induction than the other processes.

Hetero- and homogeneous three-dimensional hierarchical tungsten oxide nanostructures by hot-wire chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Houweling, Z.S., E-mail: Silvester.Houweling@asml.com [Utrecht University, Debye Institute for Nanomaterials Science, Nanophotonics—Physics of Devices, Princetonlaan 4, 3584 CB Utrecht (Netherlands); Harks, P.-P.R.M.L.; Kuang, Y.; Werf, C.H.M. van der [Utrecht University, Debye Institute for Nanomaterials Science, Nanophotonics—Physics of Devices, Princetonlaan 4, 3584 CB Utrecht (Netherlands); Geus, J.W. [Utrecht University, Inorganic Chemistry and Catalysis, Padualaan 8, 3584 CH Utrecht (Netherlands); Schropp, R.E.I. [Utrecht University, Debye Institute for Nanomaterials Science, Nanophotonics—Physics of Devices, Princetonlaan 4, 3584 CB Utrecht (Netherlands)

2015-01-30

We present the synthesis of three-dimensional tungsten oxide (WO{sub 3−x}) nanostructures, called nanocacti, using hot-wire chemical vapor deposition. The growth of the nanocacti is controlled through a succession of oxidation, reduction and re-oxidation processes. By using only a resistively heated W filament, a flow of ambient air and hydrogen at subatmospheric pressure, and a substrate heated to about 700 °C, branched nanostructures are deposited. We report three varieties of simple synthesis approaches to obtain hierarchical homo- and heterogeneous nanocacti. Furthermore, by using catalyst nanoparticles site-selection for the growth is demonstrated. The atomic, morphological and crystallographic compositions of the nanocacti are determined using a combination of electron microscopy techniques, energy-dispersive X-ray spectroscopy and electron diffraction. - Highlights: • Continuous upscalable hot-wire CVD of 3D hierarchical nanocacti • Controllable deposition of homo- and heterogeneous WO{sub 3−x}/WO{sub 3−y} nanocacti • Introduction of three synthesis routes comprising oxidation, reduction and re-oxidation processes • Growth of periodic arrays of hetero- and homogeneous hierarchical 3D nanocacti.

7 CFR 58.636 - Homogenization.

Science.gov (United States)

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Homogenization. 58.636 Section 58.636 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.636 Homogenization. Homogenization of the pasteurized mix shall be accomplished to...

Finite element simulation of moisture movement and solute transport in a large caisson

International Nuclear Information System (INIS)

Huyakorn, P.S.; Jones, B.G.; Parker, J.C.; Wadsworth, T.D.; White, H.O. Jr.

1987-01-01

The results of the solute transport experiments performed on compacted, crushed Bandelier Tuff in caisson B of the experimental cluster described by DePoorter (1981) are simulated. Both one- and three-dimensional simulations of solute transport have been performed using two selected finite element codes. Results of bromide and iodide tracer experiments conducted during near-steady flow conditions have been analyzed for pulse additions made on December 6, 1984, and followed over a period of up to 60 days. In addition, a pulse addition of nonconservative strontium tracer on September 28, 1984, during questionably steady flow conditions has been analyzed over a period of 240 days. One-dimensional finite element flow and transport simulations were carried out assuming the porous medium to be homogeneous and the injection source uniformly distributed. To evaluate effects of the nonuniform source distribution and also to investigate effects of inhomogeneous porous medium properties, three dimensional finite element analyses of transport were carried out. Implications of the three-dimensional effects for the design and analysis of future tracer studies are discussed

Preliminary X-ray crystallographic analysis of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans

International Nuclear Information System (INIS)

Zhang, Yanfei; Cherney, Maia M.; Solomonson, Matthew; Liu, Jianshe; James, Michael N. G.; Weiner, Joel H.

2009-01-01

The sulfide:quinone oxidoreductase from A. ferrooxidans ATCC 23270 was overexpressed in E. coli and purified. Crystallization and preliminarily X-ray crystallographic analysis were performed for the recombinant enzyme. The gene product of open reading frame AFE-1293 from Acidithiobacillus ferrooxidans ATCC 23270 is annotated as encoding a sulfide:quinone oxidoreductase, an enzyme that catalyses electron transfer from sulfide to quinone. Following overexpression in Escherichia coli, the enzyme was purified and crystallized using the hanging-drop vapour-diffusion method. The native crystals belonged to the tetragonal space group P4 2 2 1 2, with unit-cell parameters a = b = 131.7, c = 208.8 Å, and diffracted to 2.3 Å resolution. Preliminary crystallographic analysis indicated the presence of a dimer in the asymmetric unit, with an extreme value of the Matthews coefficient (V M ) of 4.53 Å 3 Da −1 and a solvent content of 72.9%

EFFECT OF FINITE LARMOR RADIUS CORRECTIONS ON THE THERMAL INSTABILITY OF THERMALLY CONDUCTING VISCOUS PLASMA WITH HALL CURRENT AND ELECTRON INERTIA

Energy Technology Data Exchange (ETDEWEB)

Jain, Shweta; Sharma, Prerana [Physics Department, Ujjain Engineering College, Ujjain, MP-456010 (India); Kaothekar, Sachin [Physics Department, Mahakal Institute of Technology, Ujjain, MP-456664 (India); Chhajlani, R. K., E-mail: sackaothekar@gmail.com [Retired, School of Studies in Physics, Vikram University Ujjain, MP-456010 (India)

2016-10-01

The thermal instability of an infinite homogeneous, thermally conducting, and rotating plasma, incorporating finite electrical resistivity, finite electron inertia, and an arbitrary radiative heat-loss function in the presence of finite Larmor radius corrections and Hall current, has been studied. Analysis has been made with the help of linearized magnetohydrodynamics (MHD) equations. A general dispersion relation is obtained using the normal mode analysis method, and the dispersion relation is discussed for longitudinal propagation and transverse propagation separately. The dispersion relation has been solved numerically to obtain the dependence of the growth rate on the various parameters involved. The conditions of modified thermal instability and stability are discussed in the different cases of interest.

Benchmarking monthly homogenization algorithms

Science.gov (United States)

Venema, V. K. C.; Mestre, O.; Aguilar, E.; Auer, I.; Guijarro, J. A.; Domonkos, P.; Vertacnik, G.; Szentimrey, T.; Stepanek, P.; Zahradnicek, P.; Viarre, J.; Müller-Westermeier, G.; Lakatos, M.; Williams, C. N.; Menne, M.; Lindau, R.; Rasol, D.; Rustemeier, E.; Kolokythas, K.; Marinova, T.; Andresen, L.; Acquaotta, F.; Fratianni, S.; Cheval, S.; Klancar, M.; Brunetti, M.; Gruber, C.; Prohom Duran, M.; Likso, T.; Esteban, P.; Brandsma, T.

2011-08-01

The COST (European Cooperation in Science and Technology) Action ES0601: Advances in homogenization methods of climate series: an integrated approach (HOME) has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies and because they represent two important types of statistics (additive and multiplicative). The algorithms were validated against a realistic benchmark dataset. The benchmark contains real inhomogeneous data as well as simulated data with inserted inhomogeneities. Random break-type inhomogeneities were added to the simulated datasets modeled as a Poisson process with normally distributed breakpoint sizes. To approximate real world conditions, breaks were introduced that occur simultaneously in multiple station series within a simulated network of station data. The simulated time series also contained outliers, missing data periods and local station trends. Further, a stochastic nonlinear global (network-wide) trend was added. Participants provided 25 separate homogenized contributions as part of the blind study as well as 22 additional solutions submitted after the details of the imposed inhomogeneities were revealed. These homogenized datasets were assessed by a number of performance metrics including (i) the centered root mean square error relative to the true homogeneous value at various averaging scales, (ii) the error in linear trend estimates and (iii) traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Contingency scores by themselves are not very informative. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve precipitation data

Value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations

Directory of Open Access Journals (Sweden)

Luo Li-Qin

2016-01-01

Full Text Available In this paper, we investigate the value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations, and obtain the results on the relations between the order of the solutions and the convergence exponents of the zeros, poles, a-points and small function value points of the solutions, which show the relations in the case of non-homogeneous equations are sharper than the ones in the case of homogeneous equations.

Bounds for nonlinear composites via iterated homogenization

Science.gov (United States)

Ponte Castañeda, P.

2012-09-01

Improved estimates of the Hashin-Shtrikman-Willis type are generated for the class of nonlinear composites consisting of two well-ordered, isotropic phases distributed randomly with prescribed two-point correlations, as determined by the H-measure of the microstructure. For this purpose, a novel strategy for generating bounds has been developed utilizing iterated homogenization. The general idea is to make use of bounds that may be available for composite materials in the limit when the concentration of one of the phases (say phase 1) is small. It then follows from the theory of iterated homogenization that it is possible, under certain conditions, to obtain bounds for more general values of the concentration, by gradually adding small amounts of phase 1 in incremental fashion, and sequentially using the available dilute-concentration estimate, up to the final (finite) value of the concentration (of phase 1). Such an approach can also be useful when available bounds are expected to be tighter for certain ranges of the phase volume fractions. This is the case, for example, for the "linear comparison" bounds for porous viscoplastic materials, which are known to be comparatively tighter for large values of the porosity. In this case, the new bounds obtained by the above-mentioned "iterated" procedure can be shown to be much improved relative to the earlier "linear comparison" bounds, especially at low values of the porosity and high triaxialities. Consistent with the way in which they have been derived, the new estimates are, strictly, bounds only for the class of multi-scale, nonlinear composites consisting of two well-ordered, isotropic phases that are distributed with prescribed H-measure at each stage in the incremental process. However, given the facts that the H-measure of the sequential microstructures is conserved (so that the final microstructures can be shown to have the same H-measure), and that H-measures are insensitive to length scales, it is conjectured

Excitations of Bose-Einstein condensates at finite temperatures

International Nuclear Information System (INIS)

Rusch, M.

2000-01-01

Recent experimental observations of collective excitations of Bose condensed atomic vapours have stimulated interest in the microscopic description of the dynamics of a Bose-Einstein condensate confined in an external potential. We present a finite temperature field theory for collective excitations of trapped Bose-Einstein condensates and use a finite-temperature linear response formalism, which goes beyond the simple mean-field approximation of the Gross-Pitaevskii equation. The effect of the non-condensed thermal atoms we include using perturbation theory in a quasiparticle basis. This presents a simple scheme to understand the interaction between condensate and non-condensed atoms and enables us to include the effect the condensate has on collision dynamics. At first we limit our treatment to the case of a spatially homogeneous Bose gas. We include the effect of pair and triplet anomalous averages and thus obtain a gapless theory for the excitations of a weakly interacting system, which we can link to well known results for Landau and Beliaev damping rates. A gapless theory for trapped systems with a static thermal component follows straightforwardly. We then investigate finite temperature excitations of a condensate in a spherically symmetric harmonic trap. We avoid approximations to the density of states and thus emphasise finite size aspects of the problem. We show that excitations couple strongly to a restricted number of modes, giving rise to resonance structure in their frequency spectra. Where possible we derive energy shifts and lifetimes of excitations. For one particular mode, the breathing mode, the effects of the discreteness of the system are sufficiently pronounced that the simple picture of an energy shift and width fails. Experiments in spherical traps have recently become feasible and should be able to test our detailed quantitative predictions. (author)

Dynamics of a Highly Viscous Circular Blob in Homogeneous Porous Media

Directory of Open Access Journals (Sweden)

Vandita Sharma

2017-06-01

Full Text Available Viscous fingering is ubiquitous in miscible displacements in porous media, in particular, oil recovery, contaminant transport in aquifers, chromatography separation, and geological CO2 sequestration. The viscosity contrasts between heavy oil and water is several orders of magnitude larger than typical viscosity contrasts considered in the majority of the literature. We use the finite element method (FEM-based COMSOL Multiphysics simulator to simulate miscible displacements in homogeneous porous media with very large viscosity contrasts. Our numerical model is suitable for a wide range of viscosity contrasts covering chromatographic separation as well as heavy oil recovery. We have successfully captured some interesting and previously unexplored dynamics of miscible blobs with very large viscosity contrasts in homogeneous porous media. We study the effect of viscosity contrast on the spreading and the degree of mixing of the blob. Spreading (variance of transversely averaged concentration follows the power law t 3 . 34 for the blobs with viscosity ∼ O ( 10 2 and higher, while degree of mixing is found to vary non-monotonically with log-mobility ratio. Moreover, in the limit of very large viscosity contrast, the circular blob behaves like an erodible solid body and the degree of mixing approaches the viscosity-matched case.

On the retrieval of crystallographic information from atom probe microscopy data via signal mapping from the detector coordinate space.

Science.gov (United States)

Wallace, Nathan D; Ceguerra, Anna V; Breen, Andrew J; Ringer, Simon P

2018-06-01

Atom probe tomography is a powerful microscopy technique capable of reconstructing the 3D position and chemical identity of millions of atoms within engineering materials, at the atomic level. Crystallographic information contained within the data is particularly valuable for the purposes of reconstruction calibration and grain boundary analysis. Typically, analysing this data is a manual, time-consuming and error prone process. In many cases, the crystallographic signal is so weak that it is difficult to detect at all. In this study, a new automated signal processing methodology is demonstrated. We use the affine properties of the detector coordinate space, or the 'detector stack', as the basis for our calculations. The methodological framework and the visualisation tools are shown to be superior to the standard method of crystallographic pole visualisation directly from field evaporation images and there is no requirement for iterations between a full real-space initial tomographic reconstruction and the detector stack. The mapping approaches are demonstrated for aluminium, tungsten, magnesium and molybdenum. Implications for reconstruction calibration, accuracy of crystallographic measurements, reliability and repeatability are discussed. Copyright © 2018 Elsevier B.V. All rights reserved.

Synthesis and crystal structure of a new Cu3Au-type ternary phase in the Au-In-Pd system: distribution of atoms over crystallographic positions.

Science.gov (United States)

Ptashkina, Evgeniya A; Kabanova, Elizaveta G; Tursina, Anna I; Yatsenko, Alexandr V; Kuznetsov, Victor N

2018-03-01

A new Cu 3 Au-type ternary phase (τ phase) is found in the AuPd-rich part of the Au-In-Pd system. It has a broad homogeneity range based on extensive (Pd,Au) and (In,Au) replacement, with the composition varying between Au 17.7 In 25.3 Pd 57.0 and Au 50.8 In 16.2 Pd 33.0 . The occupancies of the crystallographic positions were studied by single-crystal X-ray diffraction for three samples of different composition. The sites with m-3m symmetry are occupied by atoms with a smaller scattering power than the atoms located on 4/mmm sites. Two extreme structure models were refined. Within the first, the occupation type changes from (Au,In,Pd) 3 (Pd,In) to (Au,Pd) 3 (In,Pd,Au) with an increase in the Au gross content. For the second model, the occupation type (Au,In,Pd) 3 (Pd,Au) remains essentially unchanged for all Au concentrations. Although the diffraction data do not allow the choice of one of these models, the latter model, where Au substitutes In on 4/mmm sites, seems to be preferable, since it agrees with the fact that the homogeneity range of the τ phase is inclined to the Au corner and provides the same occupation type for all the studied samples of different compositions.

Comparison of finite element and fast Fourier transform crystal plasticity solvers for texture prediction

International Nuclear Information System (INIS)

Liu, B; Raabe, D; Roters, F; Eisenlohr, P; Lebensohn, R A

2010-01-01

We compare two full-field formulations, i.e. a crystal plasticity fast Fourier transform-based (CPFFT) model and the crystal plasticity finite element model (CPFEM) in terms of the deformation textures predicted by both approaches. Plane-strain compression of a 1024-grain ensemble is simulated with CPFFT and CPFEM to assess the models in terms of their predictions of texture evolution for engineering applications. Different combinations of final textures and strain distributions are obtained with the CPFFT and CPFEM models for this 1024-grain polycrystal. To further understand these different predictions, the correlation between grain rotations and strain gradients is investigated through the simulation of plane-strain compression of bicrystals. Finally, a study of the influence of the initial crystal orientation and the crystallographic neighborhood on grain rotations and grain subdivisions is carried out by means of plane-strain compression simulations of a 64-grain cluster

Numerical homogenization of concrete microstructures without explicit meshes

International Nuclear Information System (INIS)

Sanahuja, Julien; Toulemonde, Charles

2011-01-01

Life management of electric hydro or nuclear power plants requires to estimate long-term concrete properties on facilities, for obvious safety and serviceability reasons. Decades-old structures are foreseen to be operational for several more decades. As a large number of different concrete formulations are found in EDF facilities, empirical models based on many experiments cannot be an option for a large fleet of power plant buildings. To build predictive models, homogenization techniques offer an appealing alternative. To properly upscale creep, especially at long term, a rather precise description of the microstructure is required. However, the complexity of the morphology of concrete poses several challenges. In particular, concrete is formulated to maximize the packing density of the granular skeleton, leading to aggregates spanning several length scales with small inter particle spacings. Thus, explicit meshing of realistic concrete microstructures is either out of reach of current meshing algorithms or would produce a number of degrees of freedom far higher than the current generic FEM codes capabilities. This paper proposes a method to deal with complex matrix-inclusions microstructures such as the ones encountered at the mortar or concrete scales, without explicitly meshing them. The microstructure is superimposed to an independent mesh, which is a regular Cartesian grid. This inevitably yields so called 'gray elements', spanning across multiple phases. As the reliability of the estimate of the effective properties highly depends on the behavior affected to these gray elements, special attention is paid to them. As far as the question of the solvers is concerned, generic FEM codes are found to lack efficiency: they cannot reach high enough levels of discretization with classical free meshes, and they do not take advantage of the regular structure of the mesh. Thus, a specific finite differences/finite volumes solver has been developed. At first, generic off

Heat transfer monitoring by means of the hot wire technique and finite element analysis software.

Science.gov (United States)

Hernández Wong, J; Suarez, V; Guarachi, J; Calderón, A; Rojas-Trigos, J B; Juárez, A G; Marín, E

2014-01-01

It is reported the study of the radial heat transfer in a homogeneous and isotropic substance with a heat linear source in its axial axis. For this purpose, the hot wire characterization technique has been used, in order to obtain the temperature distribution as a function of radial distance from the axial axis and time exposure. Also, the solution of the transient heat transport equation for this problem was obtained under appropriate boundary conditions, by means of finite element technique. A comparison between experimental, conventional theoretical model and numerical simulated results is done to demonstrate the utility of the finite element analysis simulation methodology in the investigation of the thermal response of substances. Copyright © 2013 Elsevier Ltd. All rights reserved.

The SPH homogeneization method

International Nuclear Information System (INIS)

Kavenoky, Alain

1978-01-01

The homogeneization of a uniform lattice is a rather well understood topic while difficult problems arise if the lattice becomes irregular. The SPH homogeneization method is an attempt to generate homogeneized cross sections for an irregular lattice. Section 1 summarizes the treatment of an isolated cylindrical cell with an entering surface current (in one velocity theory); Section 2 is devoted to the extension of the SPH method to assembly problems. Finally Section 3 presents the generalisation to general multigroup problems. Numerical results are obtained for a PXR rod bundle assembly in Section 4

Homogeneity of Inorganic Glasses

DEFF Research Database (Denmark)

Jensen, Martin; Zhang, L.; Keding, Ralf

2011-01-01

Homogeneity of glasses is a key factor determining their physical and chemical properties and overall quality. However, quantification of the homogeneity of a variety of glasses is still a challenge for glass scientists and technologists. Here, we show a simple approach by which the homogeneity...... of different glass products can be quantified and ranked. This approach is based on determination of both the optical intensity and dimension of the striations in glasses. These two characteristic values areobtained using the image processing method established recently. The logarithmic ratio between...

Homogenization of linear viscoelastic three phase media: internal variable formulation versus full-field computation

International Nuclear Information System (INIS)

Blanc, V.; Barbie, L.; Masson, R.

2011-01-01

Homogenization of linear viscoelastic heterogeneous media is here extended from two phase inclusion-matrix media to three phase inclusion-matrix media. Each phase obeying to a compressible Maxwellian behaviour, this analytic method leads to an equivalent elastic homogenization problem in the Laplace-Carson space. For some particular microstructures, such as the Hashin composite sphere assemblage, an exact solution is obtained. The inversion of the Laplace-Carson transforms of the overall stress-strain behaviour gives in such cases an internal variable formulation. As expected, the number of these internal variables and their evolution laws are modified to take into account the third phase. Moreover, evolution laws of averaged stresses and strains per phase can still be derived for three phase media. Results of this model are compared to full fields computations of representative volume elements using finite element method, for various concentrations and sizes of inclusion. Relaxation and creep test cases are performed in order to compare predictions of the effective response. The internal variable formulation is shown to yield accurate prediction in both cases. (authors)

Crystallographic texture control helps improve pipeline steel resistance to hydrogen-induced cracking

Energy Technology Data Exchange (ETDEWEB)

Caleyo, F; Hallen, J M; Herrera, O; Venegas, V [ESIQIE, Instituto Politecnico Nacional, Mexico, (Mexico); Baudin, T [Universite de Paris Sud, Orsay, (France)

2010-07-01

The resistance to HIC of sour service pipeline steels has been improved through several strategies but none have proven to be totally efficient in the preservation of HIC in difficult operating conditions. The crystallographic texture plays a significant role in determining the behavior of HIC in pipeline steels. The present study tried to prove that crystallographic texture control, through warm rolling schedules, helps improve pipeline steel resistance to HIC. Several samples of an API 5L X52 grade pipeline steel were produced using different thermomechanical processes (austenization, controlled rolling and recrystallization). These samples were subjected to cathodic charging. Scanning electron microscopy and automated FEG/EBSD were used to perform metallographic inspections and to collect microstructure data. The results showed that the strong y fiber texture significantly reduces or even prevents the HIC damage. It is possible to improve the HIC resistance of pipeline steels using crystallography texture control and grain boundary engineering.

Microstructure and crystallographic texture of pure titanium parts generated by laser additive manufacturing

Science.gov (United States)

Arias-González, Felipe; del Val, Jesús; Comesaña, Rafael; Penide, Joaquín; Lusquiños, Fernando; Quintero, Félix; Riveiro, Antonio; Boutinguiza, Mohamed; Gil, Francisco Javier; Pou, Juan

2018-01-01

In this paper, the microstructure and crystallographic texture of pure Ti thin walls generated by Additive Manufacturing based on Laser Cladding (AMLC) are analyzed in depth. From the results obtained, it is possible to better understand the AMLC process of pure titanium. The microstructure observed in the samples consists of large elongated columnar prior β grains which have grown epitaxially from the substrate to the top, in parallel to the building direction. Within the prior β grains, α-Ti lamellae and lamellar colonies are the result of cooling from above the β-transus temperature. This transformation follows the Burgers relationship and the result is a basket-weave microstructure with a strong crystallographic texture. Finally, a thermal treatment is proposed to transform the microstructure of the as-deposited samples into an equiaxed microstructure of α-Ti grains.

Phase transitions in ideal and weakly interacting Bose gases with a finite number of particles confined in a box

International Nuclear Information System (INIS)

Wang Jianhui; Ma Yongli

2009-01-01

We generalize the scheme to characterize phase transitions of finite systems in a complex temperature plane and approach the classifications of phase transitions in ideal and weakly interacting Bose gases of a finite number of particles, confined in a cubic box of volume L 3 with different boundary conditions. For this finite ideal Bose system, by extending the classification parameters to all regions, we predict that the phase transition for periodic boundary conditions is of second order, while the transition in Dirichlet boundary conditions is of first order. For a weakly interacting Bose gas with periodic boundary conditions, we discuss the effects of finite particle numbers and inter-particle interactions on the nature of the phase transitions. We show that this homogenous weakly interacting Bose gas undergoes a second-order phase transition, which is in accordance with universality arguments for infinite systems. We also discuss the dependence of transition temperature on interaction strengths and particle numbers.

The effect of silicon crystallographic orientation on the formation of silicon nanoclusters during anodic electrochemical etching

International Nuclear Information System (INIS)

Timokhov, D. F.; Timokhov, F. P.

2009-01-01

Possible ways for increasing the photoluminescence quantum yield of porous silicon layers have been investigated. The effect of the anodization parameters on the photoluminescence properties for porous silicon layers formed on silicon substrates with different crystallographic orientations was studied. The average diameters for silicon nanoclusters are calculated from the photoluminescence spectra of porous silicon. The influence of the substrate crystallographic orientation on the photoluminescence quantum yield of porous silicon is revealed. A model explaining the effect of the substrate orientation on the photoluminescence properties for the porous silicon layers formed by anode electrochemical etching is proposed.

The Almost Periodic Rigidity of Crystallographic Bar-Joint Frameworks

Directory of Open Access Journals (Sweden)

Ghada Badri

2014-04-01

Full Text Available A crystallographic bar-joint framework, C in Rd, is shown to be almost periodically infinitesimally rigid if and only if it is strictly periodically infinitesimally rigid and the rigid unit mode (RUM spectrum, Ω (C, is a singleton. Moreover, the almost periodic infinitesimal flexes of C are characterised in terms of a matrix-valued function, ΦC(z, on the d-torus, Td, determined by a full rank translation symmetry group and an associated motif of joints and bars.

Reflector homogenization

Energy Technology Data Exchange (ETDEWEB)

Sanchez, R.; Ragusa, J.; Santandrea, S. [Commissariat a l' Energie Atomique, Direction de l' Energie Nucleaire, Service d' Etudes de Reacteurs et de Modelisation Avancee, CEA de Saclay, DM2S/SERMA 91 191 Gif-sur-Yvette cedex (France)]. e-mail: richard.sanchez@cea.fr

2004-07-01

The problem of the determination of a homogeneous reflector that preserves a set of prescribed albedo is considered. Duality is used for a direct estimation of the derivatives needed in the iterative calculation of the optimal homogeneous cross sections. The calculation is based on the preservation of collapsed multigroup albedo obtained from detailed reference calculations and depends on the low-order operator used for core calculations. In this work we analyze diffusion and transport as low-order operators and argue that the P{sub 0} transfers are the best choice for the unknown cross sections to be adjusted. Numerical results illustrate the new approach for SP{sub N} core calculations. (Author)

Reflector homogenization

International Nuclear Information System (INIS)

Sanchez, R.; Ragusa, J.; Santandrea, S.

2004-01-01

The problem of the determination of a homogeneous reflector that preserves a set of prescribed albedo is considered. Duality is used for a direct estimation of the derivatives needed in the iterative calculation of the optimal homogeneous cross sections. The calculation is based on the preservation of collapsed multigroup albedo obtained from detailed reference calculations and depends on the low-order operator used for core calculations. In this work we analyze diffusion and transport as low-order operators and argue that the P 0 transfers are the best choice for the unknown cross sections to be adjusted. Numerical results illustrate the new approach for SP N core calculations. (Author)

Hybrid diffusion–transport spatial homogenization method

International Nuclear Information System (INIS)

Kooreman, Gabriel; Rahnema, Farzad

2014-01-01

Highlights: • A new hybrid diffusion–transport homogenization method. • An extension of the consistent spatial homogenization (CSH) transport method. • Auxiliary cross section makes homogenized diffusion consistent with heterogeneous diffusion. • An on-the-fly re-homogenization in transport. • The method is faster than fine-mesh transport by 6–8 times. - Abstract: A new hybrid diffusion–transport homogenization method has been developed by extending the consistent spatial homogenization (CSH) transport method to include diffusion theory. As in the CSH method, an “auxiliary cross section” term is introduced into the source term, making the resulting homogenized diffusion equation consistent with its heterogeneous counterpart. The method then utilizes an on-the-fly re-homogenization in transport theory at the assembly level in order to correct for core environment effects on the homogenized cross sections and the auxiliary cross section. The method has been derived in general geometry and tested in a 1-D boiling water reactor (BWR) core benchmark problem for both controlled and uncontrolled configurations. The method has been shown to converge to the reference solution with less than 1.7% average flux error in less than one third the computational time as the CSH method – 6 to 8 times faster than fine-mesh transport

Effect of pre-existing crystallographic preferred orientation on the rheology of Carrara marble

NARCIS (Netherlands)

de Raadt, W.S.; Burlini, L.; Kunze, K.; Spiers, C.J.

2014-01-01

Abstract Localized deformation during high temperature plastic flow is frequently attributed to mechanical weakening caused by grain size reduction and, in some cases, by the development of a crystallographic preferred orientation (CPO). This study aims to investigate experimentally the contribution

Crystallographic Analysis of a Japanese Sword by using Bragg Edge Transmission Spectroscopy

Science.gov (United States)

Shiota, Yoshinori; Hasemi, Hiroyuki; Kiyanagi, Yoshiaki

Neutron imaging using a pulsed neutron source can give crystallographic information over wide area of a sample by analysing position dependent transmission spectra. With the use of a Bragg edge imaging method we non-destructively obtained crystallographic information of a Japanese sword, signed by Bishu Osafune Norimitsu, in order to know position dependent crystallographic characteristics and to check usefulness of the method for the Japanese sword investigation. Strong texture appeared on the back side. On the other hand in the middle area almost isotropic feature appeared and edge side showed feature between them. Rather isotropic area in the centre area gradually reduced from the grip side to the tip side. The crystallite size was smaller near the edge and became larger towards the back side. The smaller crystallite size will be due to quenching around the edge and this trend disappeared in the grip (nakago) area. The larger crystallite size will be due to strong hammering. Coarse grains were also observed directly as transmission images with the use of a high spatial resolution detector. The spatial distribution of the grains was not uniform but the reason have not been understood. Furthermore, a white area around a tip area was proved to be a void by looking at the Brag edge transmission spectra. This void may be formed during forging process of two kinds of steel. It is suggested that consideration on differences in the texture and the crystallite size depending on position will give information to clarify the manufacturing process, and Bragg edge analysis will be a profitable tool for research of Japanese sword.

Resolution of a protein sequence ambiguity by X-ray crystallographic and mass spectrometric methods

International Nuclear Information System (INIS)

Keefe, L.J.; Lattman, E.E.; Wolkow, C.; Woods, A.; Chevrier, M.; Cotter, R.J.

1992-01-01

Ambiguities in amino acid sequences are a potential problem in X-ray crystallographic studies of proteins. Amino acid side chains often cannot be reliably identified from the electron density. Many protein crystal structures that are now being solved are simple variants of a known wild-type structure. Thus, cloning artifacts or other untoward events can readily lead to cases in which the proposed sequence is not correct. An example is presented showing that mass spectrometry provides an excellent tool for analyzing suspected errors. The X-ray crystal structure of an insertion mutant of Staphylococcal nuclease has been solved to 1.67 A resolution and refined to a crystallographic R value of 0.170. A single residue has been inserted in the C-terminal α helix. The inserted amino acid was believed to be an alanine residue, but the final electron density maps strongly indicated that a glycine had been inserted instead. To confirm the observations from the X-ray data, matrix-assisted laser desorption mass spectrometry was employed to verify the glycine insertion. This mass spectrometric technique has sufficient mass accuracy to detect the methyl group that distinguishes glycine from alanine and can be extended to the more common situation in which crystallographic measurements suggest a problem with the sequence, but cannot pinpoint its location or nature. (orig.)

Resolution of a protein sequence ambiguity by X-ray crystallographic and mass spectrometric methods

Energy Technology Data Exchange (ETDEWEB)

Keefe, L.J.; Lattman, E.E. (Dept. of Biophysics and Biophysical Chemistry, Johns Hopkins Univ. School of Medicine, Baltimore, MD (United States)); Wolkow, C.; Woods, A.; Chevrier, M.; Cotter, R.J. (Middle Atlantic Mass Spectrometry Lab., Johns Hopkins Univ. School of Medicine, Baltimore, MD (United States))

1992-04-01

Ambiguities in amino acid sequences are a potential problem in X-ray crystallographic studies of proteins. Amino acid side chains often cannot be reliably identified from the electron density. Many protein crystal structures that are now being solved are simple variants of a known wild-type structure. Thus, cloning artifacts or other untoward events can readily lead to cases in which the proposed sequence is not correct. An example is presented showing that mass spectrometry provides an excellent tool for analyzing suspected errors. The X-ray crystal structure of an insertion mutant of Staphylococcal nuclease has been solved to 1.67 A resolution and refined to a crystallographic R value of 0.170. A single residue has been inserted in the C-terminal {alpha} helix. The inserted amino acid was believed to be an alanine residue, but the final electron density maps strongly indicated that a glycine had been inserted instead. To confirm the observations from the X-ray data, matrix-assisted laser desorption mass spectrometry was employed to verify the glycine insertion. This mass spectrometric technique has sufficient mass accuracy to detect the methyl group that distinguishes glycine from alanine and can be extended to the more common situation in which crystallographic measurements suggest a problem with the sequence, but cannot pinpoint its location or nature. (orig.).

Electro-magnetostatic homogenization of bianisotropic metamaterials

OpenAIRE

Fietz, Chris

2012-01-01

We apply the method of asymptotic homogenization to metamaterials with microscopically bianisotropic inclusions to calculate a full set of constitutive parameters in the long wavelength limit. Two different implementations of electromagnetic asymptotic homogenization are presented. We test the homogenization procedure on two different metamaterial examples. Finally, the analytical solution for long wavelength homogenization of a one dimensional metamaterial with microscopically bi-isotropic i...

Analyses of large quasistatic deformations of inelastic bodies by a new hybrid-stress finite element algorithm

Science.gov (United States)

Reed, K. W.; Atluri, S. N.

1983-01-01

A new hybrid-stress finite element algorithm, suitable for analyses of large, quasistatic, inelastic deformations, is presented. The algorithm is base upon a generalization of de Veubeke's complementary energy principle. The principal variables in the formulation are the nominal stress rate and spin, and thg resulting finite element equations are discrete versions of the equations of compatibility and angular momentum balance. The algorithm produces true rates, time derivatives, as opposed to 'increments'. There results a complete separation of the boundary value problem (for stress rate and velocity) and the initial value problem (for total stress and deformation); hence, their numerical treatments are essentially independent. After a fairly comprehensive discussion of the numerical treatment of the boundary value problem, we launch into a detailed examination of the numerical treatment of the initial value problem, covering the topics of efficiency, stability and objectivity. The paper is closed with a set of examples, finite homogeneous deformation problems, which serve to bring out important aspects of the algorithm.

Finite difference time domain (FDTD) modeling of implanted deep brain stimulation electrodes and brain tissue.

Science.gov (United States)

Gabran, S R I; Saad, J H; Salama, M M A; Mansour, R R

2009-01-01

This paper demonstrates the electromagnetic modeling and simulation of an implanted Medtronic deep brain stimulation (DBS) electrode using finite difference time domain (FDTD). The model is developed using Empire XCcel and represents the electrode surrounded with brain tissue assuming homogenous and isotropic medium. The model is created to study the parameters influencing the electric field distribution within the tissue in order to provide reference and benchmarking data for DBS and intra-cortical electrode development.

Homogeneous modes of cosmological instantons

International Nuclear Information System (INIS)

Gratton, Steven; Turok, Neil

2001-01-01

We discuss the O(4) invariant perturbation modes of cosmological instantons. These modes are spatially homogeneous in Lorentzian spacetime and thus not relevant to density perturbations. But their properties are important in establishing the meaning of the Euclidean path integral. If negative modes are present, the Euclidean path integral is not well defined, but may nevertheless be useful in an approximate description of the decay of an unstable state. When gravitational dynamics is included, counting negative modes requires a careful treatment of the conformal factor problem. We demonstrate that for an appropriate choice of coordinate on phase space, the second order Euclidean action is bounded below for normalized perturbations and has a finite number of negative modes. We prove that there is a negative mode for many gravitational instantons of the Hawking-Moss or ColemanendashDe Luccia type, and discuss the associated spectral flow. We also investigate Hawking-Turok constrained instantons, which occur in a generic inflationary model. Implementing the regularization and constraint proposed by Kirklin, Turok and Wiseman, we find that those instantons leading to substantial inflation do not possess negative modes. Using an alternate regularization and constraint motivated by reduction from five dimensions, we find a negative mode is present. These investigations shed new light on the suitability of Euclidean quantum gravity as a potential description of our universe

Homogeneous modes of cosmological instantons

Energy Technology Data Exchange (ETDEWEB)

Gratton, Steven; Turok, Neil

2001-06-15

We discuss the O(4) invariant perturbation modes of cosmological instantons. These modes are spatially homogeneous in Lorentzian spacetime and thus not relevant to density perturbations. But their properties are important in establishing the meaning of the Euclidean path integral. If negative modes are present, the Euclidean path integral is not well defined, but may nevertheless be useful in an approximate description of the decay of an unstable state. When gravitational dynamics is included, counting negative modes requires a careful treatment of the conformal factor problem. We demonstrate that for an appropriate choice of coordinate on phase space, the second order Euclidean action is bounded below for normalized perturbations and has a finite number of negative modes. We prove that there is a negative mode for many gravitational instantons of the Hawking-Moss or Coleman{endash}De Luccia type, and discuss the associated spectral flow. We also investigate Hawking-Turok constrained instantons, which occur in a generic inflationary model. Implementing the regularization and constraint proposed by Kirklin, Turok and Wiseman, we find that those instantons leading to substantial inflation do not possess negative modes. Using an alternate regularization and constraint motivated by reduction from five dimensions, we find a negative mode is present. These investigations shed new light on the suitability of Euclidean quantum gravity as a potential description of our universe.

Estimating minimum polycrystalline aggregate size for macroscopic material homogeneity

International Nuclear Information System (INIS)

Kovac, M.; Simonovski, I.; Cizelj, L.

2002-01-01

During severe accidents the pressure boundary of reactor coolant system can be subjected to extreme loadings, which might cause failure. Reliable estimation of the extreme deformations can be crucial to determine the consequences of severe accidents. Important drawback of classical continuum mechanics is idealization of inhomogenous microstructure of materials. Classical continuum mechanics therefore cannot predict accurately the differences between measured responses of specimens, which are different in size but geometrical similar (size effect). A numerical approach, which models elastic-plastic behavior on mesoscopic level, is proposed to estimate minimum size of polycrystalline aggregate above which it can be considered macroscopically homogeneous. The main idea is to divide continuum into a set of sub-continua. Analysis of macroscopic element is divided into modeling the random grain structure (using Voronoi tessellation and random orientation of crystal lattice) and calculation of strain/stress field. Finite element method is used to obtain numerical solutions of strain and stress fields. The analysis is limited to 2D models.(author)

A non-conformal finite element/finite volume scheme for the non-structured grid-based approximation of low Mach number flows; Un schema elements finis non-conformes/volumes finis pour l'approximation en maillages non-structures des ecoulements a faible nombre de Mach

Energy Technology Data Exchange (ETDEWEB)

Ansanay-Alex, G.

2009-06-17

The development of simulation codes aimed at a precise simulation of fires requires a precise approach of flame front phenomena by using very fine grids. The need to take different spatial scale into consideration leads to a local grid refinement and to a discretization with homogeneous grid for computing time and memory purposes. The author reports the approximation of the non-linear convection term, the scalar advection-diffusion in finite volumes, numerical simulations of a flow in a bent tube, of a three-dimensional laminar flame and of a low Mach number an-isotherm flow. Non conformal finite elements are also presented (Rannacher-Turek and Crouzeix-Raviart elements)

A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family

Science.gov (United States)

Drozd, Marek; Daszkiewicz, Marek

2018-06-01

According to literature data the two crystals are known: guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate. Both compounds belong to noncetrosymmetric crystallographic systems are consider as second order generators in nonlinear optic (NLO). For each of these crystals the detailed crystallographic, theoretical calculations and vibrational studies were performed. It is interesting that nitrobenzoic acid create tree variety of compounds ((2) ortho-, (3) meta- and (4) para-) what any data for third member of guanidinium nitrobenzoate crystal were not known. The guanidinium o-nitrobenzoate hydrate crystal was synthesized first time. The performed X-ray crystallographic study shown that crystal belongs to space group without macroscopic symmetry center. Additionally, the vibrational spectra (intensities, frequencies and PED analysis) of investigated compound are presented. These results are compared with theoretical calculations for equilibrium geometry and vibrational properties. Furthermore, the results of the theoretical approach include HOMO and LUMO energies and first order hyperpolarizability were obtained, also. On the basis of these data the crystal was classified as second order generator. All obtained results are compared with previous literature data of guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate compounds. Surprisingly, each of examined crystal belongs to different crystallographic system and shows different vibrational properties.

A conservative numerical scheme for modeling nonlinear acoustic propagation in thermoviscous homogeneous media

Science.gov (United States)

Diaz, Manuel A.; Solovchuk, Maxim A.; Sheu, Tony W. H.

2018-06-01

A nonlinear system of partial differential equations capable of describing the nonlinear propagation and attenuation of finite amplitude perturbations in thermoviscous media is presented. This system constitutes a full nonlinear wave model that has been formulated in the conservation form. Initially, this model is investigated analytically in the inviscid limit where it has been found that the resulting flux function fulfills the Lax-Wendroff theorem, and the scheme can match the solutions of the Westervelt and Burgers equations numerically. Here, high-order numerical descriptions of strongly nonlinear wave propagations become of great interest. For that matter we consider finite difference formulations of the weighted essentially non-oscillatory (WENO) schemes associated with explicit strong stability preserving Runge-Kutta (SSP-RK) time integration methods. Although this strategy is known to be computationally demanding, it is found to be effective when implemented to be solved in graphical processing units (GPUs). As we consider wave propagations in unbounded domains, perfectly matching layers (PML) have been also considered in this work. The proposed system model is validated and illustrated by using one- and two-dimensional benchmark test cases proposed in the literature for nonlinear acoustic propagation in homogeneous thermoviscous media.

Application of viscoplastic constitutive equations in finite element programs

International Nuclear Information System (INIS)

Hornberger, K.; Stamm, H.

1987-04-01

The general mathematical formulation of frequently used viscoplastic constitutive equations is explained and Robinson's model is discussed in more detail. The implementation of viscoplastic constitutive equations into Finite Element programs (such as ABAQUS) is described using Robinson's model as an example. For the numerical integration both an explicit (explicit Euler) and an implicit (generalized midpoint rule) integration scheme is utilized in combination with a time step control strategy. In the implicit integration scheme, convergence in solving a system of nonlinear algebraic equation is improved introducing a projection method. The efficiency of the implemented procedures is demonstrated for different homogeneous load cases as well as for creep loading and strain controlled cyclic loading of a perforated plate. (orig./HP) [de

Investigating the spectral characteristics of backscattering from heterogeneous spheroidal nuclei using broadband finite-difference time-domain simulations

Science.gov (United States)

Chao, Guo-Shan; Sung, Kung-Bin

2010-02-01

Backscattered light spectra have been used to extract size distribution of cell nuclei in epithelial tissues for noninvasive detection of precancerous lesions. In existing experimental studies, size estimation is achieved by assuming nuclei as homogeneous spheres or spheroids and fitting the measured data with models based on Mie theory. However, the validity of simplifying nuclei as homogeneous spheres has not been thoroughly examined. In this study, we investigate the spectral characteristics of backscattering from models of spheroidal nuclei under plane wave illumination using three-dimensional finite-difference time-domain (FDTD) simulation. A modulated Gaussian pulse is used to obtain wavelength dependent scattering intensity with a single FDTD run. The simulated model of nuclei consists of a nucleolus and randomly distributed chromatin condensation in homogeneous cytoplasm and nucleoplasm. The results show that backscattering spectra from spheroidal nuclei have similar oscillating patterns to those from homogeneous spheres with the diameter equal to the projective length of the spheroidal nucleus along the propagation direction. The strength of backscattering is enhanced in heterogeneous spheroids as compared to homogeneous spheroids. The degree of which backscattering spectra of heterogeneous nuclei deviate from Mie theory is highly dependent on the distribution of chromatin/nucleolus but not sensitive to nucleolar size, refractive index fluctuation or chromatin density.

Homological functor of a torsion free crystallographic group of dimension five with a nonabelian point group

Science.gov (United States)

Ting, Tan Yee; Idrus, Nor'ashiqin Mohd.; Masri, Rohaidah; Sarmin, Nor Haniza; Hassim, Hazzirah Izzati Mat

2014-06-01

Torsion free crystallographic groups, called Bieberbach groups, appear as fundamental groups of compact, connected, flat Riemannian manifolds and have many interesting properties. New properties of the group can be obtained by, not limited to, exploring the groups and by computing their homological functors such as nonabelian tensor squares, the central subgroup of nonabelian tensor squares, the kernel of the mapping of nonabelian tensor squares of a group to the group and many more. In this paper, the homological functor, J(G) of a centerless torsion free crystallographic group of dimension five with a nonabelian point group which is a dihedral point group is computed using commutator calculus.

High resolution neutron diffraction crystallographic investigation of Oxide Dispersion Strengthened steels of interest for fusion technology

International Nuclear Information System (INIS)

Coppola, R.; Rodriguez-Carvajal, J.; Wang, M.; Zhang, G.; Zhou, Z.

2014-01-01

High resolution neutron diffraction measurements have been carried out to characterize the crystallographic phases present in different Oxide Dispersion Strengthened (ODS) steels of interest for fusion technology. The different lattice structures, Im3m for the ferritic ODS and Fm3m for the austenitic ODS, are resolved showing line anisotropy effects possibly correlated with differences in dislocation densities and texture. Many contributions from minority phases are detected well above the background noise; none of the expected crystallographic phases, such as M 23 C 6 and including Y 2 O 3 , fits them, but the TiN phase is identified in accordance with results of other microstructural techniques

Bilipschitz embedding of homogeneous fractals

OpenAIRE

Lü, Fan; Lou, Man-Li; Wen, Zhi-Ying; Xi, Li-Feng

2014-01-01

In this paper, we introduce a class of fractals named homogeneous sets based on some measure versions of homogeneity, uniform perfectness and doubling. This fractal class includes all Ahlfors-David regular sets, but most of them are irregular in the sense that they may have different Hausdorff dimensions and packing dimensions. Using Moran sets as main tool, we study the dimensions, bilipschitz embedding and quasi-Lipschitz equivalence of homogeneous fractals.

Homogeneous anisotropic solutions of topologically massive gravity with a cosmological constant and their homogeneous deformations

International Nuclear Information System (INIS)

Moutsopoulos, George

2013-01-01

We solve the equations of topologically massive gravity (TMG) with a potentially non-vanishing cosmological constant for homogeneous metrics without isotropy. We only reproduce known solutions. We also discuss their homogeneous deformations, possibly with isotropy. We show that de Sitter space and hyperbolic space cannot be infinitesimally homogeneously deformed in TMG. We clarify some of their Segre–Petrov types and discuss the warped de Sitter spacetime. (paper)

Homogeneous anisotropic solutions of topologically massive gravity with a cosmological constant and their homogeneous deformations

Science.gov (United States)

Moutsopoulos, George

2013-06-01

We solve the equations of topologically massive gravity (TMG) with a potentially non-vanishing cosmological constant for homogeneous metrics without isotropy. We only reproduce known solutions. We also discuss their homogeneous deformations, possibly with isotropy. We show that de Sitter space and hyperbolic space cannot be infinitesimally homogeneously deformed in TMG. We clarify some of their Segre-Petrov types and discuss the warped de Sitter spacetime.

Benchmarking homogenization algorithms for monthly data

Science.gov (United States)

Venema, V. K. C.; Mestre, O.; Aguilar, E.; Auer, I.; Guijarro, J. A.; Domonkos, P.; Vertacnik, G.; Szentimrey, T.; Stepanek, P.; Zahradnicek, P.; Viarre, J.; Müller-Westermeier, G.; Lakatos, M.; Williams, C. N.; Menne, M. J.; Lindau, R.; Rasol, D.; Rustemeier, E.; Kolokythas, K.; Marinova, T.; Andresen, L.; Acquaotta, F.; Fratiannil, S.; Cheval, S.; Klancar, M.; Brunetti, M.; Gruber, C.; Prohom Duran, M.; Likso, T.; Esteban, P.; Brandsma, T.; Willett, K.

2013-09-01

The COST (European Cooperation in Science and Technology) Action ES0601: Advances in homogenization methods of climate series: an integrated approach (HOME) has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies. The algorithms were validated against a realistic benchmark dataset. Participants provided 25 separate homogenized contributions as part of the blind study as well as 22 additional solutions submitted after the details of the imposed inhomogeneities were revealed. These homogenized datasets were assessed by a number of performance metrics including i) the centered root mean square error relative to the true homogeneous values at various averaging scales, ii) the error in linear trend estimates and iii) traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve precipitation data. Moreover, state-of-the-art relative homogenization algorithms developed to work with an inhomogeneous reference are shown to perform best. The study showed that currently automatic algorithms can perform as well as manual ones.

Application of the finite volume method in the simulation of saturated flows of binary mixtures

International Nuclear Information System (INIS)

Murad, M.A.; Gama, R.M.S. da; Sampaio, R.

1989-12-01

This work presents the simulation of saturated flows of an incompressible Newtonian fluid through a rigid, homogeneous and isotropic porous medium. The employed mathematical model is derived from the Continuum Theory of Mixtures and generalizes the classical one which is based on Darcy's Law form of the momentum equation. In this approach fluid and porous matrix are regarded as continuous constituents of a binary mixture. The finite volume method is employed in the simulation. (author) [pt

Determination of lower bound crystallographic yield loci of zircaloy-4 tubes

International Nuclear Information System (INIS)

Costa Viana, C.S. da

1980-01-01

The use of zircaloy-4 tubing in fuel elements of water cooled reactors is discussed with respect to its mechanisms of deformation and also its resulting anisotropic plastic behaviour. A method for obtaining lower bound crystallographic yield loci of α-Zr is presented and applied to individual crystal orientations and to a real texture described by the main components observed on a direct pole figure. (Author) [pt

Finite Element Analysis of Mechanical Characteristics of Dropped Eggs Based on Fluid-Solid Coupling Theory

Directory of Open Access Journals (Sweden)

Song Haiyan

2017-01-01

Full Text Available It is important to study the properties and mechanics of egg drop impacts in order to reduce egg loss during processing and logistics and to provide a basis for the protective packaging of egg products. In this paper, we present the results of our study of the effects of the structural parameters on the mechanical properties of an egg using a finite element model of the egg. Based on Fluid-Solid coupling theory, a finite element model of an egg was constructed using ADINA, a finite element calculation and analysis software package. To simplify the model, the internal fluid of the egg was considered to be a homogeneous substance. The egg drop impact was simulated by the coupling solution, and the feasibility of the model was verified by comparison with the experimental results of a drop test. In summary, the modeling scheme was shown to be feasible and the simulation results provide a theoretical basis for the optimum design of egg packaging and egg processing equipment.

On the preferential crystallographic orientation of Au nanoparticles: Effect of electrodeposition time

International Nuclear Information System (INIS)

El-Deab, Mohamed S.

2009-01-01

The crystallographic orientation of Au nanoparticles electrodeposited at glassy carbon (nano-Au/GC) electrodes (prepared by potential step electrolysis) is markedly influenced by the width of the potential step. The oxygen reduction reaction (ORR) and the reductive desorption of cysteine have been studied on nano-Au/GC electrodes. Furthermore, electron backscatter diffraction (EBSD) technique has been used to probe the crystallographic orientation of the electrodeposited Au nanoparticles. That is, Au nanoparticles prepared in short time (5-60 s) have been found rich in the Au(1 1 1) facet orientation and are characterized by a relatively small particle size (ca. 10-50 nm) as well as high particle density (number of particles per unit area) as revealed by SEM images. Whereas Au nanoparticles prepared by longer electrolysis time (>60 s) are found to be much enriched in the Au(1 0 0) and Au(1 1 0) facets and are characterized by a relatively large particle size (>100 nm). EBSD patterns provided definitive information about the crystal orientations mapping of Au nanoparticles prepared at various deposition times.

Expression, crystallization and preliminary crystallographic study of GluB from Corynebacterium glutamicum

International Nuclear Information System (INIS)

Liu, Qingbo; Li, Defeng; Hu, Yonglin; Wang, Da-Cheng

2013-01-01

GluB, a substrate-binding protein from C. glutamicum, was expressed, purified and crystallized, followed by X-ray diffraction data collection and preliminary crystallographic analysis. GluB is a substrate-binding protein (SBP) which participates in the uptake of glutamic acid in Corynebacterium glutamicum, a Gram-positive bacterium. It is part of an ATP-binding cassette (ABC) transporter system. Together with the transmembrane proteins GluC and GluD and the cytoplasmic protein GluA, which couples the hydrolysis of ATP to the translocation of glutamate, they form a highly active glutamate-uptake system. As part of efforts to study the amino-acid metabolism, especially the metabolism of glutamic acid by C. glutamicum, a bacterium that is widely used in the industrial production of glutamic acid, the GluB protein was expressed, purified and crystallized, an X-ray diffraction data set was collected to a resolution of 1.9 Å and preliminary crystallographic analysis was performed. The crystal belonged to space group P3 1 21 or P3 2 21, with unit-cell parameters a = b = 82.50, c = 72.69 Å

Automatic rebuilding and optimization of crystallographic structures in the Protein Data Bank.

Science.gov (United States)

Joosten, Robbie P; Joosten, Krista; Cohen, Serge X; Vriend, Gert; Perrakis, Anastassis

2011-12-15

Macromolecular crystal structures in the Protein Data Bank (PDB) are a key source of structural insight into biological processes. These structures, some >30 years old, were constructed with methods of their era. With PDB_REDO, we aim to automatically optimize these structures to better fit their corresponding experimental data, passing the benefits of new methods in crystallography on to a wide base of non-crystallographer structure users. We developed new algorithms to allow automatic rebuilding and remodeling of main chain peptide bonds and side chains in crystallographic electron density maps, and incorporated these and further enhancements in the PDB_REDO procedure. Applying the updated PDB_REDO to the oldest, but also to some of the newest models in the PDB, corrects existing modeling errors and brings these models to a higher quality, as judged by standard validation methods. The PDB_REDO database and links to all software are available at http://www.cmbi.ru.nl/pdb_redo. r.joosten@nki.nl; a.perrakis@nki.nl Supplementary data are available at Bioinformatics online.

Homogenization of resonant chiral metamaterials

OpenAIRE

Andryieuski, Andrei; Menzel, Christoph; Rockstuhl, Carsten; Malureanu, Radu; Lederer, Falk; Lavrinenko, Andrei

2010-01-01

Homogenization of metamaterials is a crucial issue as it allows to describe their optical response in terms of effective wave parameters as e.g. propagation constants. In this paper we consider the possible homogenization of chiral metamaterials. We show that for meta-atoms of a certain size a critical density exists above which increasing coupling between neighboring meta-atoms prevails a reasonable homogenization. On the contrary, a dilution in excess will induce features reminiscent to pho...

Non-homogeneous model for a side heated square cavity filled with a nanofluid

International Nuclear Information System (INIS)

Celli, Michele

2013-01-01

Highlights: • A side heated two dimensional square cavity filled with a nanofluid is studied. • A non-homogeneous model is taken into account. • The properties of the nanofluid are functions of the fraction of nanoparticles. • Low-Rayleigh numbers yield a non-homogeneous distribution of the nanoparticles. -- Abstract: A side heated two dimensional square cavity filled with a nanofluid is here studied. The side heating condition is obtained by imposing two different uniform temperatures at the vertical boundary walls. The horizontal walls are assumed to be adiabatic and all boundaries are assumed to be impermeable to the base fluid and to the nanoparticles. In order to study the behavior of the nanofluid, a non-homogeneous model is taken into account. The thermophysical properties of the nanofluid are assumed to be functions of the average volume fraction of nanoparticles dispersed inside the cavity. The definitions of the nondimensional governing parameters (Rayleigh number, Prandtl number and Lewis number) are exactly the same as for the clear fluids. The distribution of the nanoparticles shows a particular sensitivity to the low Rayleigh numbers. The average Nusselt number at the vertical walls is sensitive to the average volume fraction of the nanoparticles dispersed inside the cavity and it is also sensitive to the definition of the thermophysical properties of the nanofluid. Highly viscous base fluids lead to a critical behavior of the model when the simulation is performed in pure conduction regime. The solution of the problem is obtained numerically by means of a Galerkin finite element method

Losses Approximation for Soft Magnetic Composites Based on a Homogenized Equivalent Conductivity

Directory of Open Access Journals (Sweden)

X. Ren

2016-09-01

Full Text Available Soft magnetic composites (SMC are a promising alternative to laminated steel in many Electrical Engineering applications. This is largely owing to their low level of eddy current losses. The electromagnetic behavior of SMC in electromagnetic devices cannot be easily predicted using standard numerical techniques such as the finite element method, mostly due to the computational cost required to model the material microstructure. Another difficulty lies in the high property contrast between the matrix and the inclusions. In this paper we propose a homogenization strategy to define the equivalent electromagnetic properties of SMC. For components made of SMC, the equivalent conductivity and permeability can be determined. These equivalent properties can be used to calculate eddy current losses or introduced into structural analysis tools to design electromagnetic devices.

Homogenization of neutronic diffusion models

International Nuclear Information System (INIS)

Capdebosq, Y.

1999-09-01

In order to study and simulate nuclear reactor cores, one needs to access the neutron distribution in the core. In practice, the description of this density of neutrons is given by a system of diffusion equations, coupled by non differential exchange terms. The strong heterogeneity of the medium constitutes a major obstacle to the numerical computation of this models at reasonable cost. Homogenization appears as compulsory. Heuristic methods have been developed since the origin by nuclear physicists, under a periodicity assumption on the coefficients. They consist in doing a fine computation one a single periodicity cell, to solve the system on the whole domain with homogeneous coefficients, and to reconstruct the neutron density by multiplying the solutions of the two computations. The objectives of this work are to provide mathematically rigorous basis to this factorization method, to obtain the exact formulas of the homogenized coefficients, and to start on geometries where two periodical medium are placed side by side. The first result of this thesis concerns eigenvalue problem models which are used to characterize the state of criticality of the reactor, under a symmetry assumption on the coefficients. The convergence of the homogenization process is proved, and formulas of the homogenized coefficients are given. We then show that without symmetry assumptions, a drift phenomenon appears. It is characterized by the mean of a real Bloch wave method, which gives the homogenized limit in the general case. These results for the critical problem are then adapted to the evolution model. Finally, the homogenization of the critical problem in the case of two side by side periodic medium is studied on a one dimensional on equation model. (authors)

Deriving Quantitative Crystallographic Information from the Wavelength-Resolved Neutron Transmission Analysis Performed in Imaging Mode

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Hirotaka Sato

2017-12-01

Full Text Available Current status of Bragg-edge/dip neutron transmission analysis/imaging methods is presented. The method can visualize real-space distributions of bulk crystallographic information in a crystalline material over a large area (~10 cm with high spatial resolution (~100 μm. Furthermore, by using suitable spectrum analysis methods for wavelength-dependent neutron transmission data, quantitative visualization of the crystallographic information can be achieved. For example, crystallographic texture imaging, crystallite size imaging and crystalline phase imaging with texture/extinction corrections are carried out by the Rietveld-type (wide wavelength bandwidth profile fitting analysis code, RITS (Rietveld Imaging of Transmission Spectra. By using the single Bragg-edge analysis mode of RITS, evaluations of crystal lattice plane spacing (d-spacing relating to macro-strain and d-spacing distribution’s FWHM (full width at half maximum relating to micro-strain can be achieved. Macro-strain tomography is performed by a new conceptual CT (computed tomography image reconstruction algorithm, the tensor CT method. Crystalline grains and their orientations are visualized by a fast determination method of grain orientation for Bragg-dip neutron transmission spectrum. In this paper, these imaging examples with the spectrum analysis methods and the reliabilities evaluated by optical/electron microscope and X-ray/neutron diffraction, are presented. In addition, the status at compact accelerator driven pulsed neutron sources is also presented.

Tsallis thermostatistics for finite systems: a Hamiltonian approach

Science.gov (United States)

Adib, Artur B.; Moreira, Andrã© A.; Andrade, José S., Jr.; Almeida, Murilo P.

2003-05-01

The derivation of the Tsallis generalized canonical distribution from the traditional approach of the Gibbs microcanonical ensemble is revisited (Phys. Lett. A 193 (1994) 140). We show that finite systems whose Hamiltonians obey a generalized homogeneity relation rigorously follow the nonextensive thermostatistics of Tsallis. In the thermodynamical limit, however, our results indicate that the Boltzmann-Gibbs statistics is always recovered, regardless of the type of potential among interacting particles. This approach provides, moreover, a one-to-one correspondence between the generalized entropy and the Hamiltonian structure of a wide class of systems, revealing a possible origin for the intrinsic nonlinear features present in the Tsallis formalism that lead naturally to power-law behavior. Finally, we confirm these exact results through extensive numerical simulations of the Fermi-Pasta-Ulam chain of anharmonic oscillators.

Heat transfer monitoring in solids by means of finite element analysis software

International Nuclear Information System (INIS)

Hernandez W, J.; Suarez, V.; Guarachi, J.; Calderon, A.; Juarez, A. G.; Rojas T, J. B.; Marin, E.

2012-10-01

We study the radial heat transfer in a homogeneous and isotropic substance with a heat linear source in its axial axis. For this, we used hot wire photothermal technique in order to obtain the temperature distribution as a function of radial distance and time exposure. Also, the solution of the transient heat transport equation for this problem was obtained with appropriate boundary conditions, by means of finite element technique. The comparison of the experimental and simulated results shows a good agree, which demonstrate the utility of this methodology in the investigation of the thermal response of substances, in the radial configuration. (Author)

Orthogonality Measurement for Homogenous Projects-Bases

Science.gov (United States)

Ivan, Ion; Sandu, Andrei; Popa, Marius

2009-01-01

The homogenous projects-base concept is defined. Next, the necessary steps to create a homogenous projects-base are presented. A metric system is built, which then will be used for analyzing projects. The indicators which are meaningful for analyzing a homogenous projects-base are selected. The given hypothesis is experimentally verified. The…

Analytical solutions of time-fractional models for homogeneous Gardner equation and non-homogeneous differential equations

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Olaniyi Samuel Iyiola

2014-09-01

Full Text Available In this paper, we obtain analytical solutions of homogeneous time-fractional Gardner equation and non-homogeneous time-fractional models (including Buck-master equation using q-Homotopy Analysis Method (q-HAM. Our work displays the elegant nature of the application of q-HAM not only to solve homogeneous non-linear fractional differential equations but also to solve the non-homogeneous fractional differential equations. The presence of the auxiliary parameter h helps in an effective way to obtain better approximation comparable to exact solutions. The fraction-factor in this method gives it an edge over other existing analytical methods for non-linear differential equations. Comparisons are made upon the existence of exact solutions to these models. The analysis shows that our analytical solutions converge very rapidly to the exact solutions.

Error Estimates for a Semidiscrete Finite Element Method for Fractional Order Parabolic Equations

KAUST Repository

Jin, Bangti

2013-01-01

We consider the initial boundary value problem for a homogeneous time-fractional diffusion equation with an initial condition ν(x) and a homogeneous Dirichlet boundary condition in a bounded convex polygonal domain Ω. We study two semidiscrete approximation schemes, i.e., the Galerkin finite element method (FEM) and lumped mass Galerkin FEM, using piecewise linear functions. We establish almost optimal with respect to the data regularity error estimates, including the cases of smooth and nonsmooth initial data, i.e., ν ∈ H2(Ω) ∩ H0 1(Ω) and ν ∈ L2(Ω). For the lumped mass method, the optimal L2-norm error estimate is valid only under an additional assumption on the mesh, which in two dimensions is known to be satisfied for symmetric meshes. Finally, we present some numerical results that give insight into the reliability of the theoretical study. © 2013 Society for Industrial and Applied Mathematics.

Crystallographic Investigation of Ag (4 mol%) Doped ZnO (SZO) Thin Films by XRD

International Nuclear Information System (INIS)

Lwin Lwin Nwe; Sandar Dwe; Khant Khant Lin; Khin Thuzar; Than Than Win; Ko Ko Kyaw Soe

2008-03-01

Silver doped ZnO(SZO) thin films are prepared by sol-based method. The silver dopant concentration is 4 mol % in this case. XRD analysis carried out to determine, crystallographic properties such as lattice parameters and crystallite size of SZO thin films.

Finite element discretization of Darcy's equations with pressure dependent porosity

KAUST Repository

Girault, Vivette

2010-02-23

We consider the flow of a viscous incompressible fluid through a rigid homogeneous porous medium. The permeability of the medium depends on the pressure, so that the model is nonlinear. We propose a finite element discretization of this problem and, in the case where the dependence on the pressure is bounded from above and below, we prove its convergence to the solution and propose an algorithm to solve the discrete system. In the case where the dependence on the pressure is exponential, we propose a splitting scheme which involves solving two linear systems, but parts of the analysis of this method are still heuristic. Numerical tests are presented, which illustrate the introduced methods. © 2010 EDP Sciences, SMAI.

Comparison of the free volume sizes and shapes determined from crystallographic and PALS data

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Tydda Maciej

2015-12-01

Full Text Available Two different classes of molecular crystals were investigated. The first group was benzenediols, which are characterized by the same chemical composition but a different organization of their crystallographic structures; all of the compounds from this group have only one kind of free volumes. The second class was represented by olanzapine, which has more complex chemical composition and two kinds of free volumes in the structure. The o-Ps lifetime values determined from positron annihilation lifetime spectroscopy (PALS measurements agree quite well with those calculated for sizes found from crystallographic data for benzenediols (agreement within 10% of the lifetime values. For olanzapine, a good agreement is observed in the case of cuboidal free volumes, while for the other kind of void, the agreement is less satisfactory. Positronium diffusion coefficient determined from o-Ps redistribution in olanzapine agrees with these found for polymers.

Homogeneous Spaces and Equivariant Embeddings

CERN Document Server

Timashev, DA

2011-01-01

Homogeneous spaces of linear algebraic groups lie at the crossroads of algebraic geometry, theory of algebraic groups, classical projective and enumerative geometry, harmonic analysis, and representation theory. By standard reasons of algebraic geometry, in order to solve various problems on a homogeneous space it is natural and helpful to compactify it keeping track of the group action, i.e. to consider equivariant completions or, more generally, open embeddings of a given homogeneous space. Such equivariant embeddings are the subject of this book. We focus on classification of equivariant em

The forced sound transmission of finite single leaf walls using a variational technique.

Science.gov (United States)

Brunskog, Jonas

2012-09-01

The single wall is the simplest element of concern in building acoustics, but there still remain some open questions regarding the sound insulation of this simple case. The two main reasons for this are the effects on the excitation and sound radiation of the wall when it has a finite size, and the fact that the wave field in the wall is consisting of two types of waves, namely forced waves due to the exciting acoustic field, and free bending waves due to reflections in the boundary. The aim of the present paper is to derive simple analytical formulas for the forced part of the airborne sound insulation of a single homogeneous wall of finite size, using a variational technique based on the integral-differential equation of the fluid loaded wall. The so derived formulas are valid in the entire audible frequency range. The results are compared with full numerical calculations, measurements and alternative theory, with reasonable agreement.

The forced sound transmission of finite single leaf walls using a variational technique

DEFF Research Database (Denmark)

Brunskog, Jonas

2012-01-01

The single wall is the simplest element of concern in building acoustics, but there still remain some open questions regarding the sound insulation of this simple case. The two main reasons for this are the effects on the excitation and sound radiation of the wall when it has a finite size......, and the fact that the wave field in the wall is consisting of two types of waves, namely forced waves due to the exciting acoustic field, and free bending waves due to reflections in the boundary. The aim of the present paper is to derive simple analytical formulas for the forced part of the airborne sound...... insulation of a single homogeneous wall of finite size, using a variational technique based on the integral-differential equation of the fluid loaded wall. The so derived formulas are valid in the entire audible frequency range. The results are compared with full numerical calculations, measurements...

The homogeneous boundary value problem of the thick spherical shell

International Nuclear Information System (INIS)

Linder, F.

1975-01-01

With the aim to solve boundary value problems in the same manner as it is attained at thin shell theory (Superposition of Membrane solution to solution of boundary values), one has to search solutions of the equations of equilibrium of the three dimensional thick shell which produce tensions at the cut edge and are zero on the whole shell surface inside and outside. This problem was solved with the premissions of the linear theory of Elasticity. The gained solution is exact and contains the symmetric and non-symmetric behaviour and is described in relatively short analytical expressions for the deformations and tensions, after the problem of the coupled system had been solved. The static condition of the two surfaces (zero tension) leads to a homogeneous system of complex equations with the index of the Legendre spherical function as Eigenvalue. One symmetrical case is calculated numerically and is compared with the method of finite elements. This comparison results in good accordance. (Auth.)

Experimental studies on the crystallographic and plastic anisotropies of zircaloy-4 tubes

International Nuclear Information System (INIS)

Costa Viana, C.S. da

1982-01-01

The crystallographic and plastic anisotropies of a zircaloy-4 tubing using direct pole figures and experimental yield loci are analyzed. Tensile and plane-strain compression tests were used to assess the mecahnical behaviour. The results are discussed with respect to the dimensional stability and mechanical behaviour expected for the tube in its use in the core of pressurized water cooled reactors. (Author) [pt

Hydrophilic Pt nanoflowers: synthesis, crystallographic analysis and catalytic performance.

Science.gov (United States)

Mourdikoudis, Stefanos; Altantzis, Thomas; Liz-Marzán, Luis M; Bals, Sara; Pastoriza-Santos, Isabel; Pérez-Juste, Jorge

2016-05-21

Water-soluble Pt nanoflowers (NFs) were prepared by diethylene glycol-mediated reduction of Pt acetylacetonate (Pt(acac) 2 ) in the presence of polyethylenimine. Advanced electron microscopy analysis showed that the NFs consist of multiple branches with a truncated cubic morphology and different crystallographic orientations. We demonstrate that the nature of the solvent strongly influences the resulting morphology. The catalytic performance of the Pt NFs in 4-nitrophenol reduction was found to be superior to that of other nanoparticle-based catalysts. Additionally, the Pt NFs display good catalytic reusability with no loss of activity after five consecutive cycles.

Regionalization Study of Satellite based Hydrological Model (SHM) in Hydrologically Homogeneous River Basins of India

Science.gov (United States)

Kumari, Babita; Paul, Pranesh Kumar; Singh, Rajendra; Mishra, Ashok; Gupta, Praveen Kumar; Singh, Raghvendra P.

2017-04-01

A new semi-distributed conceptual hydrological model, namely Satellite based Hydrological Model (SHM), has been developed under 'PRACRITI-2' program of Space Application Centre (SAC), Ahmedabad for sustainable water resources management of India by using data from Indian Remote Sensing satellites. Entire India is divided into 5km x 5km grid cells and properties at the center of the cells are assumed to represent the property of the cells. SHM contains five modules namely surface water, forest, snow, groundwater and routing. Two empirical equations (SCS-CN and Hargreaves) and water balance method have been used in the surface water module; the forest module is based on the calculations of water balancing & dynamics of subsurface. 2-D Boussinesq equation is used for groundwater modelling which is solved using implicit finite-difference. The routing module follows a distributed routing approach which requires flow path and network with the key point of travel time estimation. The aim of this study is to evaluate the performance of SHM using regionalization technique which also checks the usefulness of a model in data scarce condition or for ungauged basins. However, homogeneity analysis is pre-requisite to regionalization. Similarity index (Φ) and hierarchical agglomerative cluster analysis are adopted to test the homogeneity in terms of physical attributes of three basins namely Brahmani (39,033 km km^2)), Baitarani (10,982 km km^2)) and Kangsabati (9,660 km km^2)) with respect to Subarnarekha (29,196 km km^2)) basin. The results of both homogeneity analysis show that Brahmani basin is the most homogeneous with respect to Subarnarekha river basin in terms of physical characteristics (land use land cover classes, soiltype and elevation). The calibration and validation of model parameters of Brahmani basin is in progress which are to be transferred into the SHM set up of Subarnarekha basin and results are to be compared with the results of calibrated and validated

Internal homogenization: effective permittivity of a coated sphere.

Science.gov (United States)

Chettiar, Uday K; Engheta, Nader

2012-10-08

The concept of internal homogenization is introduced as a complementary approach to the conventional homogenization schemes, which could be termed as external homogenization. The theory for the internal homogenization of the permittivity of subwavelength coated spheres is presented. The effective permittivity derived from the internal homogenization of coreshells is discussed for plasmonic and dielectric constituent materials. The effective model provided by the homogenization is a useful design tool in constructing coated particles with desired resonant properties.

Homogenization methods for heterogeneous assemblies

International Nuclear Information System (INIS)

Wagner, M.R.

1980-01-01

The third session of the IAEA Technical Committee Meeting is concerned with the problem of homogenization of heterogeneous assemblies. Six papers will be presented on the theory of homogenization and on practical procedures for deriving homogenized group cross sections and diffusion coefficients. That the problem of finding so-called ''equivalent'' diffusion theory parameters for the use in global reactor calculations is of great practical importance. In spite of this, it is fair to say that the present state of the theory of second homogenization is far from being satisfactory. In fact, there is not even a uniquely accepted approach to the problem of deriving equivalent group diffusion parameters. Common agreement exists only about the fact that the conventional flux-weighting technique provides only a first approximation, which might lead to acceptable results in certain cases, but certainly does not guarantee the basic requirement of conservation of reaction rates

Solution of the Lambda modes problem of a nuclear power reactor using an h–p finite element method

International Nuclear Information System (INIS)

Vidal-Ferrandiz, A.; Fayez, R.; Ginestar, D.; Verdú, G.

2014-01-01

Highlights: • An hp finite element method is proposed for the Lambda modes problem of a nuclear reactor. • Different strategies can be implemented for increasing the accuracy of the solutions. • 2D and 3D benchmarks have been studied obtaining accurate results. - Abstract: Lambda modes of a nuclear power reactor have interest in reactor physics since they have been used to develop modal methods and to study BWR reactor instabilities. An h–p-Adaptation finite element method has been implemented to compute the dominant modes the fundamental mode and the next subcritical modes of a nuclear reactor. The performance of this method has been studied in three benchmark problems, a homogeneous 2D reactor, the 2D BIBLIS reactor and the 3D IAEA reactor

The crystallographic information file (CIF): A new standard archive file for crystallography

International Nuclear Information System (INIS)

Hall, S.R.; Allen, F.H.; Brown, I.D.

1991-01-01

The specification of a new standard Crystallographic Information File (CIF) is described. Its development is based on the Self-Defining Text Archieve and Retrieval (STAR) procedure. The CIF is a general, flexible and easily extensible free-format archive file; it is human and machine readable and can be edited by a simple editor. The CIF is designed for the electronic transmission of crystallographic data between individual laboratories, journals and databases: It has been adopted by the International Union of Crystallography as the recommended medium for this purpose. The file consists of data names and data items, together with a loop facility for repeated items. The data names, constructed hierarchically so as to form data categories, are self-descriptive within a 32-character limit. The sorted list of data names, together with their precise definitions, constitutes the CIF dictionary (core version 1991). The CIF core dictionary is presented in full and covers the fundamental and most commonly used data items relevant to crystal structure analysis. The dictionary is also available as an electronic file suitable for CIF computer applications. Future extensions to the dictionary will include data items used in more specialized areas of crystallography. (orig.)

Homogeneous versus heterogeneous zeolite nucleation

NARCIS (Netherlands)

Dokter, W.H.; Garderen, van H.F.; Beelen, T.P.M.; Santen, van R.A.; Bras, W.

1995-01-01

Aggregates of fractal dimension were found in the intermediate gel phases that organize prior to nucleation and crystallization (shown right) of silicalite from a homogeneous reaction mixture. Small- and wide-angle X-ray scattering studies prove that for zeolites nucleation may be homogeneous or

Information Geometry Formalism for the Spatially Homogeneous Boltzmann Equation

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Bertrand Lods

2015-06-01

Full Text Available Information Geometry generalizes to infinite dimension by modeling the tangent space of the relevant manifold of probability densities with exponential Orlicz spaces. We review here several properties of the exponential manifold on a suitable set Ɛ of mutually absolutely continuous densities. We study in particular the fine properties of the Kullback-Liebler divergence in this context. We also show that this setting is well-suited for the study of the spatially homogeneous Boltzmann equation if Ɛ is a set of positive densities with finite relative entropy with respect to the Maxwell density. More precisely, we analyze the Boltzmann operator in the geometric setting from the point of its Maxwell’s weak form as a composition of elementary operations in the exponential manifold, namely tensor product, conditioning, marginalization and we prove in a geometric way the basic facts, i.e., the H-theorem. We also illustrate the robustness of our method by discussing, besides the Kullback-Leibler divergence, also the property of Hyvärinen divergence. This requires us to generalize our approach to Orlicz–Sobolev spaces to include derivatives.

HRTEM study of α-AlMnSi crystals including non-crystallographic projection axes

International Nuclear Information System (INIS)

Song, G.L.; Bursill, L.A.

1997-01-01

The structure of α-AlMnSi is examined by atomic resolution high-resolution transmission electron microscopy (HRTEM) and computer-based image matching techniques. Six distinct zone axes are examined; including both normal crystallographic and non-crystallographic zones axes of the structural motifs, which have m3-bar 5 icosahedral symmetry. The results provide a sound basis for understanding HRTEM images of the quasicrystalline alloy i-AlMnSi; thus it was examined to what extent the requirements for obtaining so-called structure images of complex alloy structures may be met experimentally and define when the images may be reliably interpreted on the basis of computer simulation and image-matching at about 0.17nm resolution. Most difficulty was experienced in obtaining the experimental images, especially for the non-crystallographic zones, which are very sensitive to slight changes in orientation off the desired zone axis or projection, the rate at which the crystal thickness is increasing (wedge-angle) and the orientation of the surfaces of the specimen. Surface amorphous layers due to oxidation and/or electron-induced irradiation damage also limit the efficiency of the HRTEM analysis. For the thin specimens used for HRTEM, both the electron diffraction patterns and the HRTEM images are characteristic of Im3-bar space group symmetry. It is suggested that this Im3-bar symmetry may be an example of a statistical symmetry, where the local symmetry is close to Pm3-bar but the average symmetry is Im3-bar. The transition from Pm3-bar to Im3-bar may be understood in terms of an analysis of small changes in the outer shells of the large icosahedral structural elements which are located at the corners and body-centers of the cubic unit cell. 21 refs., 3 tabs., 10 figs

HRTEM study of {alpha}-AlMnSi crystals including non-crystallographic projection axes

Energy Technology Data Exchange (ETDEWEB)

Song, G.L.; Bursill, L.A.

1997-06-01

The structure of {alpha}-AlMnSi is examined by atomic resolution high-resolution transmission electron microscopy (HRTEM) and computer-based image matching techniques. Six distinct zone axes are examined; including both normal crystallographic and non-crystallographic zones axes of the structural motifs, which have m3-bar 5 icosahedral symmetry. The results provide a sound basis for understanding HRTEM images of the quasicrystalline alloy i-AlMnSi; thus it was examined to what extent the requirements for obtaining so-called structure images of complex alloy structures may be met experimentally and define when the images may be reliably interpreted on the basis of computer simulation and image-matching at about 0.17nm resolution. Most difficulty was experienced in obtaining the experimental images, especially for the non-crystallographic zones, which are very sensitive to slight changes in orientation off the desired zone axis or projection, the rate at which the crystal thickness is increasing (wedge-angle) and the orientation of the surfaces of the specimen. Surface amorphous layers due to oxidation and/or electron-induced irradiation damage also limit the efficiency of the HRTEM analysis. For the thin specimens used for HRTEM, both the electron diffraction patterns and the HRTEM images are characteristic of Im3-bar space group symmetry. It is suggested that this Im3-bar symmetry may be an example of a statistical symmetry, where the local symmetry is close to Pm3-bar but the average symmetry is Im3-bar. The transition from Pm3-bar to Im3-bar may be understood in terms of an analysis of small changes in the outer shells of the large icosahedral structural elements which are located at the corners and body-centers of the cubic unit cell. 21 refs., 3 tabs., 10 figs.

Benchmarking homogenization algorithms for monthly data

Directory of Open Access Journals (Sweden)

V. K. C. Venema

2012-01-01

Full Text Available The COST (European Cooperation in Science and Technology Action ES0601: advances in homogenization methods of climate series: an integrated approach (HOME has executed a blind intercomparison and validation study for monthly homogenization algorithms. Time series of monthly temperature and precipitation were evaluated because of their importance for climate studies and because they represent two important types of statistics (additive and multiplicative. The algorithms were validated against a realistic benchmark dataset. The benchmark contains real inhomogeneous data as well as simulated data with inserted inhomogeneities. Random independent break-type inhomogeneities with normally distributed breakpoint sizes were added to the simulated datasets. To approximate real world conditions, breaks were introduced that occur simultaneously in multiple station series within a simulated network of station data. The simulated time series also contained outliers, missing data periods and local station trends. Further, a stochastic nonlinear global (network-wide trend was added.

Participants provided 25 separate homogenized contributions as part of the blind study. After the deadline at which details of the imposed inhomogeneities were revealed, 22 additional solutions were submitted. These homogenized datasets were assessed by a number of performance metrics including (i the centered root mean square error relative to the true homogeneous value at various averaging scales, (ii the error in linear trend estimates and (iii traditional contingency skill scores. The metrics were computed both using the individual station series as well as the network average regional series. The performance of the contributions depends significantly on the error metric considered. Contingency scores by themselves are not very informative. Although relative homogenization algorithms typically improve the homogeneity of temperature data, only the best ones improve

Crystallization and preliminary X-ray crystallographic studies of DnaJ from Streptococcus pneumoniae

International Nuclear Information System (INIS)

Zhao, Shasha; Jin, Li; Niu, Siqiang; Yang, Wei; Zhang, Shaocheng; Guo, Zhen; Zhang, Hongpeng; Huang, Ailong; Yin, Yibing; Wang, Deqiang

2013-01-01

DnaJ from Streptococcus pneumoniae (SpDnaJ) is involved in the infectious disease process and is being developed as a potential vaccine to prevent bacterial infection. Here the expression, purification, crystallization and preliminary crystallographic analysis of SpDnaJ are reported. DnaJ, cooperating with DnaK and GrpE, promotes the folding of unfolded hydrophobic polypeptides, dissociates protein complexes and translocates protein across membranes. Additionally, DnaJ from Streptococcus pneumoniae (SpDnaJ) is involved in the infectious disease process and is being developed as a potential vaccine to prevent bacterial infection. Here the expression, purification, crystallization and preliminary crystallographic analysis of SpDnaJ are reported. The crystals belong to space groups I222 or I2 1 2 1 2 1 and the diffraction resolution is 3.0 Å with unit-cell parameters a = 47.68, b = 104.45, c = 234.57 Å. The crystal most likely contains one molecule in the asymmetric unit, with a V M value of 3.24 Å 3 Da −1 and a solvent content of 62.1%

Elastic frequency-domain finite-difference contrast source inversion method

International Nuclear Information System (INIS)

He, Qinglong; Chen, Yong; Han, Bo; Li, Yang

2016-01-01

In this work, we extend the finite-difference contrast source inversion (FD-CSI) method to the frequency-domain elastic wave equations, where the parameters describing the subsurface structure are simultaneously reconstructed. The FD-CSI method is an iterative nonlinear inversion method, which exhibits several strengths. First, the finite-difference operator only relies on the background media and the given angular frequency, both of which are unchanged during inversion. Therefore, the matrix decomposition is performed only once at the beginning of the iteration if a direct solver is employed. This makes the inversion process relatively efficient in terms of the computational cost. In addition, the FD-CSI method automatically normalizes different parameters, which could avoid the numerical problems arising from the difference of the parameter magnitude. We exploit a parallel implementation of the FD-CSI method based on the domain decomposition method, ensuring a satisfactory scalability for large-scale problems. A simple numerical example with a homogeneous background medium is used to investigate the convergence of the elastic FD-CSI method. Moreover, the Marmousi II model proposed as a benchmark for testing seismic imaging methods is presented to demonstrate the performance of the elastic FD-CSI method in an inhomogeneous background medium. (paper)

The distribution of intervariant crystallographic planes in a lath martensite using five macroscopic parameters

International Nuclear Information System (INIS)

Beladi, Hossein; Rohrer, Gregory S.; Rollett, Anthony D.; Tari, Vahid; Hodgson, Peter D.

2014-01-01

Electron backscatter diffraction analysis was employed to compute the closest orientation relationship and the distribution of intervariant boundary character in a lath martensitic microstructure. The misorientations were close to the Kurdjumov–Sachs orientation relationship. The intervariant crystallographic plane distribution exhibited a relatively high anisotropy with a tendency for the lath interfaces to terminate on (1 1 0) planes. This results from the crystallographic constraints associated with the shear transformation rather than a low energy interface configuration. The lath martensite habit plane was determined to be mostly (1 1 0) or near (1 1 0). The relative populations of boundaries with [1 1 1] and [1 1 0] misorientations were greater than other high index misorientations, mostly characterized as (1 1 0) symmetric tilt and (1 1 0) twist boundary types, respectively. Analysis with homology metrics of the connectivity in the lath martensitic microstructure revealed the connectivity dominated by population of misorientation angle and boundary plane type

A second stage homogenization method

International Nuclear Information System (INIS)

Makai, M.

1981-01-01

A second homogenization is needed before the diffusion calculation of the core of large reactors. Such a second stage homogenization is outlined here. Our starting point is the Floquet theorem for it states that the diffusion equation for a periodic core always has a particular solution of the form esup(j)sup(B)sup(x) u (x). It is pointed out that the perturbation series expansion of function u can be derived by solving eigenvalue problems and the eigenvalues serve to define homogenized cross sections. With the help of these eigenvalues a homogenized diffusion equation can be derived the solution of which is cos Bx, the macroflux. It is shown that the flux can be expressed as a series of buckling. The leading term in this series is the well known Wigner-Seitz formula. Finally three examples are given: periodic absorption, a cell with an absorber pin in the cell centre, and a cell of three regions. (orig.)

Sewage sludge solubilization by high-pressure homogenization.

Science.gov (United States)

Zhang, Yuxuan; Zhang, Panyue; Guo, Jianbin; Ma, Weifang; Fang, Wei; Ma, Boqiang; Xu, Xiangzhe

2013-01-01

The behavior of sludge solubilization using high-pressure homogenization (HPH) treatment was examined by investigating the sludge solid reduction and organics solubilization. The sludge volatile suspended solids (VSS) decreased from 10.58 to 6.67 g/L for the sludge sample with a total solids content (TS) of 1.49% after HPH treatment at a homogenization pressure of 80 MPa with four homogenization cycles; total suspended solids (TSS) correspondingly decreased from 14.26 to 9.91 g/L. About 86.15% of the TSS reduction was attributed to the VSS reduction. The increase of homogenization pressure from 20 to 80 MPa or homogenization cycle number from 1 to 4 was favorable to the sludge organics solubilization, and the protein and polysaccharide solubilization linearly increased with the soluble chemical oxygen demand (SCOD) solubilization. More proteins were solubilized than polysaccharides. The linear relationship between SCOD solubilization and VSS reduction had no significant change under different homogenization pressures, homogenization cycles and sludge solid contents. The SCOD of 1.65 g/L was solubilized for the VSS reduction of 1.00 g/L for the three experimental sludge samples with a TS of 1.00, 1.49 and 2.48% under all HPH operating conditions. The energy efficiency results showed that the HPH treatment at a homogenization pressure of 30 MPa with a single homogenization cycle for the sludge sample with a TS of 2.48% was the most energy efficient.

XTAL system of crystallographic programs: programmer's manual

International Nuclear Information System (INIS)

Hall, S.R.; Stewart, J.M.; Norden, A.P.; Munn, R.J.; Freer, S.T.

1980-02-01

This document establishes the basis for collaborative writing of transportable computer programs for x-ray crystallography. The concepts and general-purpose utility subroutines described here can be readily adapted to other scientific calculations. The complete system of crystallographic programs and subroutines is called XTAL and replaces the XRAY (6,7,8) system of programs. The coding language for the XTAL system is RATMAC (5). The XTAL system of programs contains routines for controlling execution of application programs. In this sense it forms a suboperating system that presents the same computational environment to the user and programmer irrespective of the operating system in use at a particular installation. These control routines replace all FORTRAN I/O code, supply character reading and writing, supply binary file reading and writing, serve as a support library for applications programs, and provide for interprogram communication

Negative-energy waves in a magnetized, homogeneous plasma

International Nuclear Information System (INIS)

Correa-Restrepo, D.; Pfirsch, D.

1991-09-01

The general expression for the second wave energy of a Vlasov-Maxwell system derived by Morrison and Pfirsch is evaluated here for the case of a magnetized, homogeneous plasma. It is again shown that negative-energy waves (which could become nonlinearly unstable and cause anomalous transport) exist for any deviation from monotonicity and/or any (however small) anisotropy in the equilibrium distribution function of any of the particle species. The partly unexpected and particularly interesting feature of the results is that, contrary to the proof of Morrison and Pfirsch, no restricting condition has to be imposed on the perpendicular wave number k perpendicular to of the perturbation (i.e. large k perpendicular to is not required). Finite-gyroradius effects are therefore not expected to improve the situation. Anisotropy alone would, however, impose a restriction on k z , the parallel wave number, relating it to the gyroradius. As far as distribution functions with v z δf v (0) /δv z > 0 in some region of v-space are concerned, however, this result agrees with a result found by Pfirsch and Morrison within the framework of drift-kinetic theory. (orig.)

Performance of Halbach magnet arrays with finite coercivity

DEFF Research Database (Denmark)

Insinga, Andrea Roberto; Bahl, C.R.H.; Bjørk, Rasmus

2016-01-01

of the magnetic material and the fact that the coercivity is not infinite will limit the attainable field. The presented method is able to predict when and where demagnetization will occur, and these predictions are compared with the analytical solution for the case of infinite coercivity. However, the approach...... presented here also allows quantification of the decrease in flux density and homogeneity for a partially demagnetized magnet. Moreover, the problem of how to realize a Halbach cylinder geometry using a mix of materials with different coercivities without altering the overall performance is addressed. Being......A numerical method to study the effect of finite coercivity on the Halbach cylinder geometry is presented. Despite the fact that the analytical solution available for this geometry does not set any limit to the maximum air gap flux density achievable, in real life the non-linear response...

Influences of crystallographic orientations on deformation mechanism and grain refinement of Al single crystals subjected to one-pass equal-channel angular pressing

International Nuclear Information System (INIS)

Han, W.Z.; Zhang, Z.F.; Wu, S.D.; Li, S.X.

2007-01-01

The influences of crystallographic orientations on the evolution of dislocation structures and the refinement process of sub-grains in Al single crystals processed by one-pass equal-channel angular pressing (ECAP) were systematically investigated by means of scanning electron microscopy, electron backscatter diffraction and transmission electron microscopy. Three single crystals with different orientations, denoted as crystal I, crystal II and crystal III, were specially designed according to the shape of the ECAP die. For crystal I, its insert direction is parallel to [1 1 0] and its extrusion direction is parallel to [1-bar11]. For crystal II, the (1-bar11) plane is located parallel to the intersection plane of the ECAP die, and the [1 1 0] direction is along the general shear direction on the intersection plane. For crystal III, the (1-bar11) plane is laid on the plane perpendicular to the intersection of the ECAP die, and the [1 1 0] direction is vertical to the general shear direction. For crystal I, abundant cell block structures with multi-slip characters were formed, and they should be induced by four symmetric slip systems, while for crystal II, there are two sets of sub-grain structures with higher misorientation, making an angle of ∼70 deg., which can be attributed to the interactions of the two asymmetric primary slip planes, whereas for crystal III, only one set of ribbon structures was parallel to the traces of (1-bar11) with the lowest misorientation angle among the three single crystals, which should result from the homogeneous slip on the primary slip plane. The different microstructural features of the three single crystals provide clear experimental evidence that the microstructures and misorientation evolution are strongly affected by the crystallographic orientation or by the interaction between shear deformation imposed by the ECAP die and the intrinsic slip deformation of the single crystals. Based on the experimental results and the

Mechanical Performance of Natural / Natural Fiber Reinforced Hybrid Composite Materials Using Finite Element Method Based Micromechanics and Experiments

OpenAIRE

Rahman, Muhammad Ziaur

2017-01-01

A micromechanical analysis of the representative volume element (RVE) of a unidirectional flax/jute fiber reinforced epoxy composite is performed using finite element analysis (FEA). To do so, first effective mechanical properties of flax fiber and jute fiber are evaluated numerically and then used in evaluating the effective properties of ax/jute/epoxy hybrid composite. Mechanics of Structure Genome (MSG), a new homogenization tool developed in Purdue University, is used to calculate the hom...

Finite element and finite difference methods in electromagnetic scattering

CERN Document Server

Morgan, MA

2013-01-01

This second volume in the Progress in Electromagnetic Research series examines recent advances in computational electromagnetics, with emphasis on scattering, as brought about by new formulations and algorithms which use finite element or finite difference techniques. Containing contributions by some of the world's leading experts, the papers thoroughly review and analyze this rapidly evolving area of computational electromagnetics. Covering topics ranging from the new finite-element based formulation for representing time-harmonic vector fields in 3-D inhomogeneous media using two coupled sca

Calculation of gravity and magnetic anomalies of finite-length right polygonal prisms.

Science.gov (United States)

Cady, J.W.

1980-01-01

An equation is derived for the vertical gravity field due to a homogeneous body with polygonal cross‐section and finite strike‐length. The equation can be separated into the two‐dimensional (2-D) terms of Talwani et al. (1959) and exact terms for the contributions of the ends of the prism. Equations for the magnetic field due to a similar body were derived by Shuey and Pasquale (1973), who coined the term “two‐and‐a‐half dimensional” (2 1/2-D) to describe the geometry. Magnetic intensities are expressed as a vector sum, from which the common dot product formulation can be obtained by binomial expansion.

A literature review on biotic homogenization

OpenAIRE

Guangmei Wang; Jingcheng Yang; Chuangdao Jiang; Hongtao Zhao; Zhidong Zhang

2009-01-01

Biotic homogenization is the process whereby the genetic, taxonomic and functional similarity of two or more biotas increases over time. As a new research agenda for conservation biogeography, biotic homogenization has become a rapidly emerging topic of interest in ecology and evolution over the past decade. However, research on this topic is rare in China. Herein, we introduce the development of the concept of biotic homogenization, and then discuss methods to quantify its three components (...

First Passage Moments of Finite-State Semi-Markov Processes

Energy Technology Data Exchange (ETDEWEB)

Warr, Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Cordeiro, James [Air Force Research Lab. (AFRL), Wright-Patterson AFB, OH (United States)

2014-03-31

In this paper, we discuss the computation of first-passage moments of a regular time-homogeneous semi-Markov process (SMP) with a finite state space to certain of its states that possess the property of universal accessibility (UA). A UA state is one which is accessible from any other state of the SMP, but which may or may not connect back to one or more other states. An important characteristic of UA is that it is the state-level version of the oft-invoked process-level property of irreducibility. We adapt existing results for irreducible SMPs to the derivation of an analytical matrix expression for the first passage moments to a single UA state of the SMP. In addition, consistent point estimators for these first passage moments, together with relevant R code, are provided.

Modeling the effects of ion dose and crystallographic symmetry on the morphological evolution of embedded precipitates under thermal annealing

International Nuclear Information System (INIS)

Li, Kun-Dar

2014-01-01

Highlights: •We model the faceted precipitates formation by post-implantation annealing. •The anisotropic interfacial energy and diffusion kinetics play crucial roles. •The evolutions of faceted precipitates, including Ostwald ripening, are revealed. •The mechanism of the nucleation and growth is based on the atomic diffusion. •The effects of ion dose and crystallographic symmetry are also investigated. -- Abstract: Thermal annealing is one of the most common techniques to synthesize embedded precipitates by ion implantation process. In this study, an anisotropic phase field model is presented to investigate the effects of ion dose and crystallographic symmetry on the morphological formation and evolution of embedded precipitates during post-implantation thermal annealing process. This theoretical model provides an efficient numerical approach to understand the phenomenon of faceted precipitates formation by ion implantation. As a theoretical analysis, the interfacial energy and diffusion kinetics play prominent roles in the mechanism of atomic diffusion for the precipitates formation. With a low ion dose, faceted precipitates are developed by virtue of the anisotropic interfacial energy. As an increase of ion dose, connected precipitates with crystallographic characters on the edge are appeared. For a high ion dose, labyrinth-like nanostructures of precipitates are produced and the characteristic morphology of crystallographic symmetry becomes faint. These simulation results for the morphological evolutions of embedded precipitates by ion implantation are corresponded with many experimental observations in the literatures. The quantitative analyses of the simulations are also well described the consequence of precipitates formation under different conditions

Coarse mesh finite element method for boiling water reactor physics analysis

International Nuclear Information System (INIS)

Ellison, P.G.

1983-01-01

A coarse mesh method is formulated for the solution of Boiling Water Reactor physics problems using two group diffusion theory. No fuel assembly cross-section homogenization is required; water gaps, control blades and fuel pins of varying enrichments are treated explicitly. The method combines constrained finite element discretization with infinite lattice super cell trial functions to obtain coarse mesh solutions for which the only approximations are along the boundaries between fuel assemblies. The method is applied to bench mark Boiling Water Reactor problems to obtain both the eigenvalue and detailed flux distributions. The solutions to these problems indicate the method is useful in predicting detailed power distributions and eigenvalues for Boiling Water Reactor physics problems

CRYSNET manual. Informal report. [Hardware and software of crystallographic computing network

Energy Technology Data Exchange (ETDEWEB)

None,

1976-07-01

This manual describes the hardware and software which together make up the crystallographic computing network (CRYSNET). The manual is intended as a users' guide and also provides general information for persons without any experience with the system. CRYSNET is a network of intelligent remote graphics terminals that are used to communicate with the CDC Cyber 70/76 computing system at the Brookhaven National Laboratory (BNL) Central Scientific Computing Facility. Terminals are in active use by four research groups in the field of crystallography. A protein data bank has been established at BNL to store in machine-readable form atomic coordinates and other crystallographic data for macromolecules. The bank currently includes data for more than 20 proteins. This structural information can be accessed at BNL directly by the CRYSNET graphics terminals. More than two years of experience has been accumulated with CRYSNET. During this period, it has been demonstrated that the terminals, which provide access to a large, fast third-generation computer, plus stand-alone interactive graphics capability, are useful for computations in crystallography, and in a variety of other applications as well. The terminal hardware, the actual operations of the terminals, and the operations of the BNL Central Facility are described in some detail, and documentation of the terminal and central-site software is given. (RWR)

Assembly homogenization techniques for light water reactor analysis

International Nuclear Information System (INIS)

Smith, K.S.

1986-01-01

Recent progress in development and application of advanced assembly homogenization methods for light water reactor analysis is reviewed. Practical difficulties arising from conventional flux-weighting approximations are discussed and numerical examples given. The mathematical foundations for homogenization methods are outlined. Two methods, Equivalence Theory and Generalized Equivalence Theory which are theoretically capable of eliminating homogenization error are reviewed. Practical means of obtaining approximate homogenized parameters are presented and numerical examples are used to contrast the two methods. Applications of these techniques to PWR baffle/reflector homogenization and BWR bundle homogenization are discussed. Nodal solutions to realistic reactor problems are compared to fine-mesh PDQ calculations, and the accuracy of the advanced homogenization methods is established. Remaining problem areas are investigated, and directions for future research are suggested. (author)

Improving homogeneity by dynamic speed limit systems.

NARCIS (Netherlands)

Nes, N. van Brandenberg, S. & Twisk, D.A.M.

2010-01-01

Homogeneity of driving speeds is an important variable in determining road safety; more homogeneous driving speeds increase road safety. This study investigates the effect of introducing dynamic speed limit systems on homogeneity of driving speeds. A total of 46 subjects twice drove a route along 12

Mechanized syringe homogenization of human and animal tissues.

Science.gov (United States)

Kurien, Biji T; Porter, Andrew C; Patel, Nisha C; Kurono, Sadamu; Matsumoto, Hiroyuki; Scofield, R Hal

2004-06-01

Tissue homogenization is a prerequisite to any fractionation schedule. A plethora of hands-on methods are available to homogenize tissues. Here we report a mechanized method for homogenizing animal and human tissues rapidly and easily. The Bio-Mixer 1200 (manufactured by Innovative Products, Inc., Oklahoma City, OK) utilizes the back-and-forth movement of two motor-driven disposable syringes, connected to each other through a three-way stopcock, to homogenize animal or human tissue. Using this method, we were able to homogenize human or mouse tissues (brain, liver, heart, and salivary glands) in 5 min. From sodium dodecyl sulfate-polyacrylamide gel electrophoresis analysis and a matrix-assisted laser desorption/ionization time-of-flight mass spectrometric enzyme assay for prolidase, we have found that the homogenates obtained were as good or even better than that obtained used a manual glass-on-Teflon (DuPont, Wilmington, DE) homogenization protocol (all-glass tube and Teflon pestle). Use of the Bio-Mixer 1200 to homogenize animal or human tissue precludes the need to stay in the cold room as is the case with the other hands-on homogenization methods available, in addition to freeing up time for other experiments.

Homogeneity and thermodynamic identities in geometrothermodynamics

Energy Technology Data Exchange (ETDEWEB)

Quevedo, Hernando [Universidad Nacional Autonoma de Mexico, Instituto de Ciencias Nucleares (Mexico); Universita di Roma ' ' La Sapienza' ' , Dipartimento di Fisica, Rome (Italy); ICRANet, Rome (Italy); Quevedo, Maria N. [Universidad Militar Nueva Granada, Departamento de Matematicas, Facultad de Ciencias Basicas, Bogota (Colombia); Sanchez, Alberto [CIIDET, Departamento de Posgrado, Queretaro (Mexico)

2017-03-15

We propose a classification of thermodynamic systems in terms of the homogeneity properties of their fundamental equations. Ordinary systems correspond to homogeneous functions and non-ordinary systems are given by generalized homogeneous functions. This affects the explicit form of the Gibbs-Duhem relation and Euler's identity. We show that these generalized relations can be implemented in the formalism of black hole geometrothermodynamics in order to completely fix the arbitrariness present in Legendre invariant metrics. (orig.)

Homogeneity of Prototypical Attributes in Soccer Teams

Directory of Open Access Journals (Sweden)

Christian Zepp

2015-09-01

Full Text Available Research indicates that the homogeneous perception of prototypical attributes influences several intragroup processes. The aim of the present study was to describe the homogeneous perception of the prototype and to identify specific prototypical subcategories, which are perceived as homogeneous within sport teams. The sample consists of N = 20 soccer teams with a total of N = 278 athletes (age M = 23.5 years, SD = 5.0 years. The results reveal that subcategories describing the cohesiveness of the team and motivational attributes are mentioned homogeneously within sport teams. In addition, gender, identification, team size, and the championship ranking significantly correlate with the homogeneous perception of prototypical attributes. The results are discussed on the basis of theoretical and practical implications.

Cluster Analysis of Time-Dependent Crystallographic Data: Direct Identification of Time-Independent Structural Intermediates

Science.gov (United States)

Kostov, Konstantin S.; Moffat, Keith

2011-01-01

The initial output of a time-resolved macromolecular crystallography experiment is a time-dependent series of difference electron density maps that displays the time-dependent changes in underlying structure as a reaction progresses. The goal is to interpret such data in terms of a small number of crystallographically refinable, time-independent structures, each associated with a reaction intermediate; to establish the pathways and rate coefficients by which these intermediates interconvert; and thereby to elucidate a chemical kinetic mechanism. One strategy toward achieving this goal is to use cluster analysis, a statistical method that groups objects based on their similarity. If the difference electron density at a particular voxel in the time-dependent difference electron density (TDED) maps is sensitive to the presence of one and only one intermediate, then its temporal evolution will exactly parallel the concentration profile of that intermediate with time. The rationale is therefore to cluster voxels with respect to the shapes of their TDEDs, so that each group or cluster of voxels corresponds to one structural intermediate. Clusters of voxels whose TDEDs reflect the presence of two or more specific intermediates can also be identified. From such groupings one can then infer the number of intermediates, obtain their time-independent difference density characteristics, and refine the structure of each intermediate. We review the principles of cluster analysis and clustering algorithms in a crystallographic context, and describe the application of the method to simulated and experimental time-resolved crystallographic data for the photocycle of photoactive yellow protein. PMID:21244840

Composite Finite Sums

KAUST Repository

Alabdulmohsin, Ibrahim M.

2018-03-07

In this chapter, we extend the previous results of Chap. 2 to the more general case of composite finite sums. We describe what composite finite sums are and how their analysis can be reduced to the analysis of simple finite sums using the chain rule. We apply these techniques, next, on numerical integration and on some identities of Ramanujan.

Composite Finite Sums

KAUST Repository

Alabdulmohsin, Ibrahim M.

2018-01-01

In this chapter, we extend the previous results of Chap. 2 to the more general case of composite finite sums. We describe what composite finite sums are and how their analysis can be reduced to the analysis of simple finite sums using the chain rule. We apply these techniques, next, on numerical integration and on some identities of Ramanujan.

Homogenization theory in reactor lattices

International Nuclear Information System (INIS)

Benoist, P.

1986-02-01

The purpose of the theory of homogenization of reactor lattices is to determine, by the mean of transport theory, the constants of a homogeneous medium equivalent to a given lattice, which allows to treat the reactor as a whole by diffusion theory. In this note, the problem is presented by laying emphasis on simplicity, as far as possible [fr

Axial anomaly at finite temperature and finite density

International Nuclear Information System (INIS)

Qian Zhixin; Su Rukeng; Yu, P.K.N.

1994-01-01

The U(1) axial anomaly in a hot fermion medium is investigated by using the real time Green's function method. After calculating the lowest order triangle diagrams, we find that finite temperature as well as finite fermion density does not affect the axial anomaly. The higher order corrections for the axial anomaly are discussed. (orig.)

Enhancement of anaerobic sludge digestion by high-pressure homogenization.

Science.gov (United States)

Zhang, Sheng; Zhang, Panyue; Zhang, Guangming; Fan, Jie; Zhang, Yuxuan

2012-08-01

To improve anaerobic sludge digestion efficiency, the effects of high-pressure homogenization (HPH) conditions on the anaerobic sludge digestion were investigated. The VS and TCOD were significantly removed with the anaerobic digestion, and the VS removal and TCOD removal increased with increasing the homogenization pressure and homogenization cycle number; correspondingly, the accumulative biogas production also increased with increasing the homogenization pressure and homogenization cycle number. The optimal homogenization pressure was 50 MPa for one homogenization cycle and 40 MPa for two homogenization cycles. The SCOD of the sludge supernatant significantly increased with increasing the homogenization pressure and homogenization cycle number due to the sludge disintegration. The relationship between the biogas production and the sludge disintegration showed that the accumulative biogas and methane production were mainly enhanced by the sludge disintegration, which accelerated the anaerobic digestion process and improved the methane content in the biogas. Copyright © 2012 Elsevier Ltd. All rights reserved.

Finite difference numerical method for the superlattice Boltzmann transport equation and case comparison of CPU(C) and GPU(CUDA) implementations

Energy Technology Data Exchange (ETDEWEB)

Priimak, Dmitri

2014-12-01

We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optimisation techniques.

Finite difference numerical method for the superlattice Boltzmann transport equation and case comparison of CPU(C) and GPU(CUDA) implementations

International Nuclear Information System (INIS)

Priimak, Dmitri

2014-01-01

We present a finite difference numerical algorithm for solving two dimensional spatially homogeneous Boltzmann transport equation which describes electron transport in a semiconductor superlattice subject to crossed time dependent electric and constant magnetic fields. The algorithm is implemented both in C language targeted to CPU and in CUDA C language targeted to commodity NVidia GPU. We compare performances and merits of one implementation versus another and discuss various software optimisation techniques

Layered Fiberconcrete with Non-Homogeneous Fibers Distribution

OpenAIRE

Lūsis, V; Krasņikovs, A

2013-01-01

The aim of present research is to create fiberconcrete construction with non-homogeneous fibers distribution in it. Traditionally fibers are homogeneously dispersed in a concrete. At the same time in many situations fiberconcretes with homogeneously dispersed fibers are not optimal (majority of added fibers are not participating in a loads bearing process).

Radiotracer investigation of cement raw meal homogenizers. Pt. 2

International Nuclear Information System (INIS)

Baranyai, L.

1983-01-01

Based on radioisotopic tracer technique a method has been worked out to study the homogenization and segregation processes of cement-industrial raw meal homogenizers. On-site measurements were carried out by this method in some Hungarian cement works to determine the optimal homogenization parameters of operating homogenizers. The motion and distribution of different raw meal fractions traced with 198 Au radioisotope was studied in homogenization processes proceeding with different parameters. In the first part of the publication the change of charge homogenity in time was discussed which had been measured as the resultant of mixing and separating processes. In the second part the parameters and types of homogenizers influencing the efficiency of homogenization have been detailed. (orig.) [de

Radiotracer investigation of cement raw meal homogenizers. Pt. 2

Energy Technology Data Exchange (ETDEWEB)

Baranyai, L

1983-12-01

Based on radioisotopic tracer technique a method has been worked out to study the homogenization and segregation processes of cement-industrial raw meal homogenizers. On-site measurements were carried out by this method in some Hungarian cement works to determine the optimal homogenization parameters of operating homogenizers. The motion and distribution of different raw meal fractions traced with /sup 198/Au radioisotope was studied in homogenization processes proceeding with different parameters. In the first part of the publication the change of charge homogenity in time was discussed which had been measured as the resultant of mixing and separating processes. In the second part the parameters and types of homogenizers influencing the efficiency of homogenization have been detailed.

Influence of crystallographic orientation on the fracture toughness of strongly textured Ti--6Al--4V

International Nuclear Information System (INIS)

Bowen, A.W.

1978-01-01

Fracture toughness values for six test piece orientations in a strongly textured 57-mm thick rolled and annealed Ti--6Al--4V bar have been related to their crystallographic orientations. The K/sub Ic/ values, ranging from 46.3 to 93.3 MPa/m, could be divided into two groups. High values (74.7 to 93.3 MPa/m) were obtained when a crystallographic deformation mode ([1010] or [1122] slip) was parallel to the planes of maximum shear stress for plane strain conditions, and the significant fractographic feature for this group was a clearly defined stretch zone. In the second group, where crystallographic deformation modes were not aligned with the planes of maximum shear stress, much lower K/sub Ic/ values were recorded (46.3 to 50.7 MPa/m). In this case there was no stretch zone and, in addition, some test pieces appeared, in effect, to have delaminated in the immediate vicinity of the crack tip. Similar trends were also indicated by the results of Charpy impact tests. The influence of in-plane elastic anisotropy on fracture toughness is discussed, and the importance of test piece geometry highlighted. From the results it could be inferred that high toughness in anisotropic materials is possible only in certain orientations; stretch zone formation and fatigue striation formation are by the same mechanical process; and there will be significantly different critical crack sizes in textured titanium alloy components

Locally Finite Root Supersystems

OpenAIRE

Yousofzadeh, Malihe

2013-01-01

We introduce the notion of locally finite root supersystems as a generalization of both locally finite root systems and generalized root systems. We classify irreducible locally finite root supersystems.

Methodology for Thermal Behaviour Assessment of Homogeneous Façades in Heritage Buildings

Directory of Open Access Journals (Sweden)

Enrique Gil

2017-01-01

Full Text Available It is fundamental to study the thermal behaviour in all architectural constructions throughout their useful life, in order to detect early deterioration ensuring durability, in addition to achieving and maintaining the interior comfort with the minimum energy consumption possible. This research has developed a methodology to assess the thermal behaviour of façades in heritage buildings. This paper presents methodology validation and verification (V & V through a laboratory experiment. Guidelines and conclusions are extracted with the employment of three techniques in this experiment (thermal sensors, thermal imaging camera, and 3D thermal simulation in finite element software. A small portion of a homogeneous façade has been reproduced with indoor and outdoor thermal conditions. A closed chamber was constructed with wood panels and thermal insulation, leaving only one face exposed to the outside conditions, with a heat source inside the chamber that induces a temperature gradient in the wall. With this methodology, it is possible to better understand the thermal behaviour of the façade and to detect possible damage with the calibration and comparison of the results obtained by the experimental and theoretical techniques. This methodology can be extrapolated to the analysis of the thermal behaviour of façades in heritage buildings, usually made up of homogeneous material.

Homogenization approach in engineering

International Nuclear Information System (INIS)

Babuska, I.

1975-10-01

Homogenization is an approach which studies the macrobehavior of a medium by its microproperties. Problems with a microstructure play an essential role in such fields as mechanics, chemistry, physics, and reactor engineering. Attention is concentrated on a simple specific model problem to illustrate results and problems typical of the homogenization approach. Only the diffusion problem is treated here, but some statements are made about the elasticity of composite materials. The differential equation is solved for linear cases with and without boundaries and for the nonlinear case. 3 figures, 1 table

Influence of different kinds of rolling on the crystallographic texture and magnetic induction of a NOG 3 wt% Si steel

Energy Technology Data Exchange (ETDEWEB)

Silva, J.M.; Baêta Júnior, E.S.; Moraes, N.R.D.C.; Botelho, R.A. [Department of Mechanical and Materials Engineering, Military Institute of Engineering (IME), Praça General Tibúrcio, 80,Urca, Rio de Janeiro/RJ (Brazil); Felix, R.A.C. [Scientific Instrumentation and Mechanical Technology Laboratory, Brazilian Center for Physics Research (CBPF), Rua Dr. Xavier Sigaud, 150-Urca, Rio de Janeiro-RJ (Brazil); Brandao, L., E-mail: brandao@ime.eb.br [Department of Mechanical and Materials Engineering, Military Institute of Engineering (IME), Praça General Tibúrcio, 80,Urca, Rio de Janeiro/RJ (Brazil)

2017-01-01

The purpose of this work was to study the influence of different kinds of rolling on the magnetic properties of NOG steel, an electric steel widely used in electrical motors. These properties are highly correlated with the crystallographic texture of the material, which can be changed by rolling. Three kinds of rolling were examined: conventional rolling, cross-rolling and asymmetrical rolling. The crystallographic texture was determined by X-ray diffraction and the magnetic properties were calculated from a theoretical model that related the magnetic induction to crystallographic texture through the anisotropy energy. The results show that cross-rolling yields higher values of magnetic induction than the other processes. - Highlights: • The B{sub 50} of NOG steels was evaluated via texture for different rolling processes. • On comparison to all processes used, the cross-rolling led to highest average B{sub 50}. • Cross-rolling enhances Goss and γ-fiber after annealing. • The better B{sub 50} values were obtained for symmetrical and cross-rolling processes. • For asymmetric rolling process, cylinder diameter ratio changed slightly the texture.

Genetic Homogenization of Composite Materials

Directory of Open Access Journals (Sweden)

P. Tobola

2009-04-01

Full Text Available The paper is focused on numerical studies of electromagnetic properties of composite materials used for the construction of small airplanes. Discussions concentrate on the genetic homogenization of composite layers and composite layers with a slot. The homogenization is aimed to reduce CPU-time demands of EMC computational models of electrically large airplanes. First, a methodology of creating a 3-dimensional numerical model of a composite material in CST Microwave Studio is proposed focusing on a sufficient accuracy of the model. Second, a proper implementation of a genetic optimization in Matlab is discussed. Third, an association of the optimization script and a simplified 2-dimensional model of the homogeneous equivalent model in Comsol Multiphysics is proposed considering EMC issues. Results of computations are experimentally verified.

Modeling the characteristic etch morphologies along specific crystallographic orientations by anisotropic chemical etching

Directory of Open Access Journals (Sweden)

Kun-Dar Li

2018-02-01

Full Text Available To improve the advanced manufacturing technology for functional materials, a sophisticated control of chemical etching process is highly demanded, especially in the fields of environment and energy related applications. In this study, a phase-field-based model is utilized to investigate the etch morphologies influenced by the crystallographic characters during anisotropic chemical etching. Three types of etching modes are inspected theoretically, including the isotropic, and preferred oriented etchings. Owing to the specific etching behavior along the crystallographic directions, different characteristic surface structures are presented in the simulations, such as the pimple-like, pyramidal hillock and ridge-like morphologies. In addition, the processing parameters affecting the surface morphological formation and evolution are also examined systematically. According to the numerical results, the growth mechanism of surface morphology in a chemical etching is revealed distinctly. While the etching dynamics plays a dominant role on the surface formation, the characteristic surface morphologies corresponding to the preferred etching direction become more apparent. As the atomic diffusion turned into a determinative factor, a smoothened surface would appear, even under the anisotropic etching conditions. These simulation results provide fundamental information to enhance the development and application of anisotropic chemical etching techniques.

Modeling the characteristic etch morphologies along specific crystallographic orientations by anisotropic chemical etching

Science.gov (United States)

Li, Kun-Dar; Miao, Jin-Ru

2018-02-01

To improve the advanced manufacturing technology for functional materials, a sophisticated control of chemical etching process is highly demanded, especially in the fields of environment and energy related applications. In this study, a phase-field-based model is utilized to investigate the etch morphologies influenced by the crystallographic characters during anisotropic chemical etching. Three types of etching modes are inspected theoretically, including the isotropic, and preferred oriented etchings. Owing to the specific etching behavior along the crystallographic directions, different characteristic surface structures are presented in the simulations, such as the pimple-like, pyramidal hillock and ridge-like morphologies. In addition, the processing parameters affecting the surface morphological formation and evolution are also examined systematically. According to the numerical results, the growth mechanism of surface morphology in a chemical etching is revealed distinctly. While the etching dynamics plays a dominant role on the surface formation, the characteristic surface morphologies corresponding to the preferred etching direction become more apparent. As the atomic diffusion turned into a determinative factor, a smoothened surface would appear, even under the anisotropic etching conditions. These simulation results provide fundamental information to enhance the development and application of anisotropic chemical etching techniques.

Simple Finite Sums

KAUST Repository

Alabdulmohsin, Ibrahim M.

2018-01-01

We will begin our treatment of summability calculus by analyzing what will be referred to, throughout this book, as simple finite sums. Even though the results of this chapter are particular cases of the more general results presented in later chapters, they are important to start with for a few reasons. First, this chapter serves as an excellent introduction to what summability calculus can markedly accomplish. Second, simple finite sums are encountered more often and, hence, they deserve special treatment. Third, the results presented in this chapter for simple finite sums will, themselves, be used as building blocks for deriving the most general results in subsequent chapters. Among others, we establish that fractional finite sums are well-defined mathematical objects and show how various identities related to the Euler constant as well as the Riemann zeta function can actually be derived in an elementary manner using fractional finite sums.

Simple Finite Sums

KAUST Repository

Alabdulmohsin, Ibrahim M.

2018-03-07

We will begin our treatment of summability calculus by analyzing what will be referred to, throughout this book, as simple finite sums. Even though the results of this chapter are particular cases of the more general results presented in later chapters, they are important to start with for a few reasons. First, this chapter serves as an excellent introduction to what summability calculus can markedly accomplish. Second, simple finite sums are encountered more often and, hence, they deserve special treatment. Third, the results presented in this chapter for simple finite sums will, themselves, be used as building blocks for deriving the most general results in subsequent chapters. Among others, we establish that fractional finite sums are well-defined mathematical objects and show how various identities related to the Euler constant as well as the Riemann zeta function can actually be derived in an elementary manner using fractional finite sums.

Stimulus homogeneity enhances implicit learning: evidence from contextual cueing.

Science.gov (United States)

Feldmann-Wüstefeld, Tobias; Schubö, Anna

2014-04-01

Visual search for a target object is faster if the target is embedded in a repeatedly presented invariant configuration of distractors ('contextual cueing'). It has also been shown that the homogeneity of a context affects the efficiency of visual search: targets receive prioritized processing when presented in a homogeneous context compared to a heterogeneous context, presumably due to grouping processes at early stages of visual processing. The present study investigated in three Experiments whether context homogeneity also affects contextual cueing. In Experiment 1, context homogeneity varied on three levels of the task-relevant dimension (orientation) and contextual cueing was most pronounced for context configurations with high orientation homogeneity. When context homogeneity varied on three levels of the task-irrelevant dimension (color) and orientation homogeneity was fixed, no modulation of contextual cueing was observed: high orientation homogeneity led to large contextual cueing effects (Experiment 2) and low orientation homogeneity led to low contextual cueing effects (Experiment 3), irrespective of color homogeneity. Enhanced contextual cueing for homogeneous context configurations suggest that grouping processes do not only affect visual search but also implicit learning. We conclude that memory representation of context configurations are more easily acquired when context configurations can be processed as larger, grouped perceptual units. However, this form of implicit perceptual learning is only improved by stimulus homogeneity when stimulus homogeneity facilitates grouping processes on a dimension that is currently relevant in the task. Copyright © 2014 Elsevier B.V. All rights reserved.

On the homogenization of the acoustic wave propagation in perforated ducts of finite length for an inviscid and a viscous model.

Science.gov (United States)

Semin, Adrien; Schmidt, Kersten

2018-02-01

The direct numerical simulation of the acoustic wave propagation in multiperforated absorbers with hundreds or thousands of tiny openings would result in a huge number of basis functions to resolve the microstructure. One is, however, primarily interested in effective and so homogenized transmission and absorption properties and how they are influenced by microstructure and its endpoints. For this, we introduce the surface homogenization that asymptotically decomposes the solution in a macroscopic part, a boundary layer corrector close to the interface and a near-field part close to its ends. The effective transmission and absorption properties are expressed by transmission conditions for the macroscopic solution on an infinitely thin interface and corner conditions at its endpoints to ensure the correct singular behaviour, which are intrinsic to the microstructure. We study and give details on the computation of the effective parameters for an inviscid and a viscous model and show their dependence on geometrical properties of the microstructure for the example of Helmholtz equation. Numerical experiments indicate that with the obtained macroscopic solution representation one can achieve an high accuracy for low and high porosities as well as for viscous boundary conditions while using only a small number of basis functions.

Multilevel Monte Carlo Approaches for Numerical Homogenization

KAUST Repository

Efendiev, Yalchin R.

2015-10-01

In this article, we study the application of multilevel Monte Carlo (MLMC) approaches to numerical random homogenization. Our objective is to compute the expectation of some functionals of the homogenized coefficients, or of the homogenized solutions. This is accomplished within MLMC by considering different sizes of representative volumes (RVEs). Many inexpensive computations with the smallest RVE size are combined with fewer expensive computations performed on larger RVEs. Likewise, when it comes to homogenized solutions, different levels of coarse-grid meshes are used to solve the homogenized equation. We show that, by carefully selecting the number of realizations at each level, we can achieve a speed-up in the computations in comparison to a standard Monte Carlo method. Numerical results are presented for both one-dimensional and two-dimensional test-cases that illustrate the efficiency of the approach.

String pair production in non homogeneous backgrounds

Energy Technology Data Exchange (ETDEWEB)

Bolognesi, S. [Department of Physics “E. Fermi” University of Pisa, and INFN - Sezione di Pisa,Largo Pontecorvo, 3, Ed. C, 56127 Pisa (Italy); Rabinovici, E. [Racah Institute of Physics, The Hebrew University of Jerusalem,91904 Jerusalem (Israel); Tallarita, G. [Departamento de Ciencias, Facultad de Artes Liberales,Universidad Adolfo Ibáñez, Santiago 7941169 (Chile)

2016-04-28

We consider string pair production in non homogeneous electric backgrounds. We study several particular configurations which can be addressed with the Euclidean world-sheet instanton technique, the analogue of the world-line instanton for particles. In the first case the string is suspended between two D-branes in flat space-time, in the second case the string lives in AdS and terminates on one D-brane (this realizes the holographic Schwinger effect). In some regions of parameter space the result is well approximated by the known analytical formulas, either the particle pair production in non-homogeneous background or the string pair production in homogeneous background. In other cases we see effects which are intrinsically stringy and related to the non-homogeneity of the background. The pair production is enhanced already for particles in time dependent electric field backgrounds. The string nature enhances this even further. For spacial varying electrical background fields the string pair production is less suppressed than the rate of particle pair production. We discuss in some detail how the critical field is affected by the non-homogeneity, for both time and space dependent electric field backgrouds. We also comment on what could be an interesting new prediction for the small field limit. The third case we consider is pair production in holographic confining backgrounds with homogeneous and non-homogeneous fields.

String pair production in non homogeneous backgrounds

International Nuclear Information System (INIS)

Bolognesi, S.; Rabinovici, E.; Tallarita, G.

2016-01-01

We consider string pair production in non homogeneous electric backgrounds. We study several particular configurations which can be addressed with the Euclidean world-sheet instanton technique, the analogue of the world-line instanton for particles. In the first case the string is suspended between two D-branes in flat space-time, in the second case the string lives in AdS and terminates on one D-brane (this realizes the holographic Schwinger effect). In some regions of parameter space the result is well approximated by the known analytical formulas, either the particle pair production in non-homogeneous background or the string pair production in homogeneous background. In other cases we see effects which are intrinsically stringy and related to the non-homogeneity of the background. The pair production is enhanced already for particles in time dependent electric field backgrounds. The string nature enhances this even further. For spacial varying electrical background fields the string pair production is less suppressed than the rate of particle pair production. We discuss in some detail how the critical field is affected by the non-homogeneity, for both time and space dependent electric field backgrouds. We also comment on what could be an interesting new prediction for the small field limit. The third case we consider is pair production in holographic confining backgrounds with homogeneous and non-homogeneous fields.

Homogeneous M2 duals

International Nuclear Information System (INIS)

Figueroa-O’Farrill, José; Ungureanu, Mara

2016-01-01

Motivated by the search for new gravity duals to M2 branes with N>4 supersymmetry — equivalently, M-theory backgrounds with Killing superalgebra osp(N|4) for N>4 — we classify (except for a small gap) homogeneous M-theory backgrounds with symmetry Lie algebra so(n)⊕so(3,2) for n=5,6,7. We find that there are no new backgrounds with n=6,7 but we do find a number of new (to us) backgrounds with n=5. All backgrounds are metrically products of the form AdS 4 ×P 7 , with P riemannian and homogeneous under the action of SO(5), or S 4 ×Q 7 with Q lorentzian and homogeneous under the action of SO(3,2). At least one of the new backgrounds is supersymmetric (albeit with only N=2) and we show that it can be constructed from a supersymmetric Freund-Rubin background via a Wick rotation. Two of the new backgrounds have only been approximated numerically.

Homogeneous M2 duals

Energy Technology Data Exchange (ETDEWEB)

Figueroa-O’Farrill, José [School of Mathematics and Maxwell Institute for Mathematical Sciences,The University of Edinburgh,James Clerk Maxwell Building, The King’s Buildings, Peter Guthrie Tait Road,Edinburgh EH9 3FD, Scotland (United Kingdom); Ungureanu, Mara [Humboldt-Universität zu Berlin, Institut für Mathematik,Unter den Linden 6, 10099 Berlin (Germany)

2016-01-25

Motivated by the search for new gravity duals to M2 branes with N>4 supersymmetry — equivalently, M-theory backgrounds with Killing superalgebra osp(N|4) for N>4 — we classify (except for a small gap) homogeneous M-theory backgrounds with symmetry Lie algebra so(n)⊕so(3,2) for n=5,6,7. We find that there are no new backgrounds with n=6,7 but we do find a number of new (to us) backgrounds with n=5. All backgrounds are metrically products of the form AdS{sub 4}×P{sup 7}, with P riemannian and homogeneous under the action of SO(5), or S{sup 4}×Q{sup 7} with Q lorentzian and homogeneous under the action of SO(3,2). At least one of the new backgrounds is supersymmetric (albeit with only N=2) and we show that it can be constructed from a supersymmetric Freund-Rubin background via a Wick rotation. Two of the new backgrounds have only been approximated numerically.

Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures

Energy Technology Data Exchange (ETDEWEB)

McLean, Larry R.; Zhang, Ying; Degnen, William; Peppard, Jane; Cabel, Dasha; Zou, Chao; Tsay, Joseph T.; Subramaniam, Arun; Vaz, Roy J.; Li, Yi (Sanofi)

2010-10-28

Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening.

Crystallization and preliminary crystallographic analysis of l-asparaginase from Erwinia carotovora

International Nuclear Information System (INIS)

Wikman, Linnea E. K.; Krasotkina, Julya; Kuchumova, Anastasia; Sokolov, Nikolay N.; Papageorgiou, Anastassios C.

2005-01-01

Er. carotovoral-asparaginase, a potential antileukaemic agent, has been crystallized. Crystals diffract to 2.6 Å using a rotating-anode source and belong to space group P2 1 , with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. Bacterial l-asparaginases have been used as therapeutic agents in the treatment of acute childhood lymphoblastic leukaemia for over 30 y. However, their use is limited owing to the glutaminase activity of the administered enzymes, which results in serious side effects. In contrast, l-asparaginase from Erwinia carotovora exhibits low glutaminase activity at physiological concentrations of l-asparagine and l-glutamine in the blood. Recombinant Er. carotovoral-asparaginase was crystallized in the presence of l-glutamate by the hanging-drop vapour-diffusion method using 10 mg ml −1 purified enzyme, 16–18%(w/v) PEG 3350 and 0.2 M NaF. X-ray diffraction data were collected to 2.6 Å at 293 K using an in-house rotating-anode generator. The crystals belong to the monoclinic P2 1 space group, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. A molecular-replacement solution has been found and refinement is currently in progress. The crystal structure may provide leads towards protein-engineering efforts aimed at safer asparaginase administration in leukaemia treatment

Two-Dimensional Homogeneous Fermi Gases

Science.gov (United States)

Hueck, Klaus; Luick, Niclas; Sobirey, Lennart; Siegl, Jonas; Lompe, Thomas; Moritz, Henning

2018-02-01

We report on the experimental realization of homogeneous two-dimensional (2D) Fermi gases trapped in a box potential. In contrast to harmonically trapped gases, these homogeneous 2D systems are ideally suited to probe local as well as nonlocal properties of strongly interacting many-body systems. As a first benchmark experiment, we use a local probe to measure the density of a noninteracting 2D Fermi gas as a function of the chemical potential and find excellent agreement with the corresponding equation of state. We then perform matter wave focusing to extract the momentum distribution of the system and directly observe Pauli blocking in a near unity occupation of momentum states. Finally, we measure the momentum distribution of an interacting homogeneous 2D gas in the crossover between attractively interacting fermions and bosonic dimers.

Homogeneous deuterium exchange using rhenium and platinum chloride catalysts

International Nuclear Information System (INIS)

Fawdry, R.M.

1979-01-01

Previous studies of homogeneous hydrogen isotope exchange are mostly confined to one catalyst, the tetrachloroplatinite salt. Recent reports have indicated that chloride salts of iridium and rhodium may also be homogeneous exchange catalysts similar to the tetrachloroplatinite, but with much lower activities. Exchange by these homogeneous catalysts is frequently accompanied by metal precipitation with the termination of homogeneous exchange, particularly in the case of alkane exchange. The studies presented in this thesis describe two different approaches to overcome this limitation of homogeneous hydrogen isotope exchange catalysts. The first approach was to improve the stability of an existing homogeneous catalyst and the second was to develop a new homogeneous exchange catalyst which is free of the instability limitation

Competing Contact Processes on Homogeneous Networks with Tunable Clusterization

Science.gov (United States)

Rybak, Marcin; Kułakowski, Krzysztof

2013-03-01

We investigate two homogeneous networks: the Watts-Strogatz network with mean degree ⟨k⟩ = 4 and the Erdös-Rényi network with ⟨k⟩ = 10. In both kinds of networks, the clustering coefficient C is a tunable control parameter. The network is an area of two competing contact processes, where nodes can be in two states, S or D. A node S becomes D with probability 1 if at least two its mutually linked neighbors are D. A node D becomes S with a given probability p if at least one of its neighbors is S. The competition between the processes is described by a phase diagram, where the critical probability pc depends on the clustering coefficient C. For p > pc the rate of state S increases in time, seemingly to dominate in the whole system. Below pc, the majority of nodes is in the D-state. The numerical results indicate that for the Watts-Strogatz network the D-process is activated at the finite value of the clustering coefficient C, close to 0.3. On the contrary, for the Erdös-Rényi network the transition is observed at the whole investigated range of C.

FINITE VOLUME METHOD FOR SOLVING THREE-DIMENSIONAL ELECTRIC FIELD DISTRIBUTION

Directory of Open Access Journals (Sweden)

Paţiuc V.I.

2011-04-01

Full Text Available The paper examines a new approach to finite volume method which is used to calculate the electric field spatially homogeneous three-dimensional environment. It is formulated the problem Dirihle with building of the computational grid on base of space partition, which is known as Delone triangulation with the use of Voronoi cells. It is proposed numerical algorithm for calculating the potential and electric field strength in the space formed by a cylinder placed in the air. It is developed algorithm and software which were for the case, when the potential on the inner surface of the cylinder has been assigned and on the outer surface and the bottom of cylinder it was assigned zero potential. There are presented results of calculations of distribution in the potential space and electric field strength.

Shape effect related to crystallographic orientation of deformation behavior in copper crystals

International Nuclear Information System (INIS)

Kim, K.H.; Chang, C.H.; Koo, Y.M.; MacDowell, A.A.

1999-01-01

The deformation behavior of pure copper single crystals has been investigated by scanning electron microscopy and synchrotron radiation using the in situ reflection Laue method. Two types of samples with the same orientation of tensile axes, but with different crystallographic orientations in the directions of the width and thickness of the samples, have been studied. They showed different characteristics of deformation behavior, such as the activated slip systems, the movement of the tensile axis, and the mode of fracture

Groebner Finite Path Algebras

OpenAIRE

Leamer, Micah J.

2004-01-01

Let K be a field and Q a finite directed multi-graph. In this paper I classify all path algebras KQ and admissible orders with the property that all of their finitely generated ideals have finite Groebner bases. MS

The homogeneous geometries of real hyperbolic space

DEFF Research Database (Denmark)

Castrillón López, Marco; Gadea, Pedro Martínez; Swann, Andrew Francis

We describe the holonomy algebras of all canonical connections of homogeneous structures on real hyperbolic spaces in all dimensions. The structural results obtained then lead to a determination of the types, in the sense of Tricerri and Vanhecke, of the corresponding homogeneous tensors. We use...... our analysis to show that the moduli space of homogeneous structures on real hyperbolic space has two connected components....

Spinor structures on homogeneous spaces

International Nuclear Information System (INIS)

Lyakhovskii, V.D.; Mudrov, A.I.

1993-01-01

For multidimensional models of the interaction of elementary particles, the problem of constructing and classifying spinor fields on homogeneous spaces is exceptionally important. An algebraic criterion for the existence of spinor structures on homogeneous spaces used in multidimensional models is developed. A method of explicit construction of spinor structures is proposed, and its effectiveness is demonstrated in examples. The results are of particular importance for harmonic decomposition of spinor fields

Busting out of crystallography's Sisyphean prison: from pencil and paper to structure solving at the press of a button: past, present and future of crystallographic software development, maintenance and distribution.

Science.gov (United States)

Cranswick, Lachlan Michael David

2008-01-01

The history of crystallographic computing and use of crystallographic software is one which traces the escape from the drudgery of manual human calculations to a world where the user delegates most of the travail to electronic computers. In practice, this involves practising crystallographers communicating their thoughts to the crystallographic program authors, in the hope that new procedures will be implemented within their software. Against this background, the development of small-molecule single-crystal and powder diffraction software is traced. Starting with the analogue machines and the use of Hollerith tabulators of the late 1930's, it is shown that computing developments have been science led, with new technologies being harnessed to solve pressing crystallographic problems. The development of software is also traced, with a final caution that few of the computations now performed daily are really understood by the program users. Unless a sufficient body of people continues to dismantle and re-build programs, the knowledge encoded in the old programs will become as inaccessible as the knowledge of how to build the Great Pyramid at Giza.

Investigations into homogenization of electromagnetic metamaterials

DEFF Research Database (Denmark)

Clausen, Niels Christian Jerichau

This dissertation encompasses homogenization methods, with a special interest into their applications to metamaterial homogenization. The first method studied is the Floquet-Bloch method, that is based on the assumption of a material being infinite periodic. Its field can then be expanded in term...

Calculation of strained BaTiO3 with different exchange correlation functionals examined with criterion by Ginzburg-Landau theory, uncovering expressions by crystallographic parameters

Science.gov (United States)

Watanabe, Yukio

2018-05-01

In the calculations of tetragonal BaTiO3, some exchange-correlation (XC) energy functionals such as local density approximation (LDA) have shown good agreement with experiments at room temperature (RT), e.g., spontaneous polarization (PS), and superiority compared with other XC functionals. This is due to the error compensation of the RT effect and, hence, will be ineffective in the heavily strained case such as domain boundaries. Here, ferroelectrics under large strain at RT are approximated as those at 0 K because the strain effect surpasses the RT effects. To find effective XC energy functionals for strained BaTiO3, we propose a new comparison, i.e., a criterion. This criterion is the properties at 0 K given by the Ginzburg-Landau (GL) theory because GL theory is a thermodynamic description of experiments working under the same symmetry-constraints as ab initio calculations. With this criterion, we examine LDA, generalized gradient approximations (GGA), meta-GGA, meta-GGA + local correlation potential (U), and hybrid functionals, which reveals the high accuracy of some XC functionals superior to XC functionals that have been regarded as accurate. This result is examined directly by the calculations of homogenously strained tetragonal BaTiO3, confirming the validity of the new criterion. In addition, the data points of theoretical PS vs. certain crystallographic parameters calculated with different XC functionals are found to lie on a single curve, despite their wide variations. Regarding these theoretical data points as corresponding to the experimental results, analytical expressions of the local PS using crystallographic parameters are uncovered. These expressions show the primary origin of BaTiO3 ferroelectricity as oxygen displacements. Elastic compliance and electrostrictive coefficients are estimated. For the comparison of strained results, we show that the effective critical temperature TC under strain 1000 K from an approximate method combining ab initio

Cyclic behavior of 316L steel predicted by means of finite element computations

International Nuclear Information System (INIS)

Liu, J.; Sauzay, M.; Robertson, C.; Liu, J.

2011-01-01

The cyclic behavior of 316L steels is predicted based on crystalline elastoplastic constitutive laws. Calculations are performed with the finite element software CAST3M, using a polycrystalline mesh where the individual grains are modeled as cubes, having random crystallographic orientations. At the grain scale, the constitutive law parameters are adjusted using single crystal cyclic stress strain curves (CSSCs) from literature. Calculations are performed for different loading conditions (uniaxial tension-compression, biaxial tension-compression and alternated torsion) and a large range of three remote plastic strain amplitudes. We obtained 3 close macroscopic CSSCs. Somewhat lower stresses are obtained in torsion, particularly at high plastic strain amplitude. Our results are in agreement with all the published experimental data. The mean plastic strain is computed in each grain, yielding a particular polycrystalline mean grain plastic strain distribution for each loading condition and remote plastic strain. The plastic strain scatter increases for decreasing macroscopic strains. The number of cycles to the first micro-crack initiation corresponding to the aforesaid plastic strain distributions is then calculated using a surface roughness based initiation criterion. The effect of the different loading conditions is finally discussed. (authors)

Parallel computing for homogeneous diffusion and transport equations in neutronics; Calcul parallele pour les equations de diffusion et de transport homogenes en neutronique

Energy Technology Data Exchange (ETDEWEB)

Pinchedez, K

1999-06-01

Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)

Integral transform method for solving neutron transport problems with general anisotropic scattering in a cylinder of finite height

International Nuclear Information System (INIS)

Kumar, V.; Sahni, D.C.

1983-01-01

In this paper, the authors present the mathematical techniques that were developed for solving the integral transport equation for the criticality of a homogeneous cylinder of finite height with general anisotropic scattering. They present the integral transport equations for the Fourier transformed spherical harmonic moments of the angular flux. These moments are also represented by a series of products of spherical Bessel functions. The criticality problem is, then, posed by the matrix eigenvalue problem whose eigenvector is composed of the expansion coefficients mentioned above. An methodology of calculating the general matrix element is discussed by using the recursion relations derived in this paper. Finally, for the one-group criticality of finite cylinders, the benchmark results are generated when scattering is linearly anisotropic. Also, these benchmarks are solved and compared with the S/sub N/ method of TWOTRAN

Ocean acidification reduces the crystallographic control in juvenile mussel shells.

Science.gov (United States)

Fitzer, Susan C; Cusack, Maggie; Phoenix, Vernon R; Kamenos, Nicholas A

2014-10-01

Global climate change threatens the oceans as anthropogenic carbon dioxide causes ocean acidification and reduced carbonate saturation. Future projections indicate under saturation of aragonite, and potentially calcite, in the oceans by 2100. Calcifying organisms are those most at risk from such ocean acidification, as carbonate is vital in the biomineralisation of their calcium carbonate protective shells. This study highlights the importance of multi-generational studies to investigate how marine organisms can potentially adapt to future projected global climate change. Mytilus edulis is an economically important marine calcifier vulnerable to decreasing carbonate saturation as their shells comprise two calcium carbonate polymorphs: aragonite and calcite. M. edulis specimens were cultured under current and projected pCO2 (380, 550, 750 and 1000μatm), following 6months of experimental culture, adults produced second generation juvenile mussels. Juvenile mussel shells were examined for structural and crystallographic orientation of aragonite and calcite. At 1000μatm pCO2, juvenile mussels spawned and grown under this high pCO2 do not produce aragonite which is more vulnerable to carbonate under-saturation than calcite. Calcite and aragonite were produced at 380, 550 and 750μatm pCO2. Electron back scatter diffraction analyses reveal less constraint in crystallographic orientation with increased pCO2. Shell formation is maintained, although the nacre crystals appear corroded and crystals are not so closely layered together. The differences in ultrastructure and crystallography in shells formed by juveniles spawned from adults in high pCO2 conditions may prove instrumental in their ability to survive ocean acidification. Copyright © 2014 Elsevier Inc. All rights reserved.

Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly

Energy Technology Data Exchange (ETDEWEB)

Surbella, Robert G. [Department; Ducati, Lucas C. [Department; Pellegrini, Kristi L. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; McNamara, Bruce K. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; Autschbach, Jochen [Department; Schwantes, Jon M. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99354, United States; Cahill, Christopher L. [Department

2017-07-26

A family of twelve supramolecular [AnO2Cl4]2- (An = U, Np, Pu) containing compounds assembled via hydrogen and halogen bonds donated by substituted 4-X-pyridinium cations (X = H, Cl, Br, I) is reported. These materials were prepared from a room-temperature synthesis wherein crystallization of unhydrolyzed and valence pure [An(VI)O2Cl4]2- (An = U, Np, Pu) tectons are the norm. We present a hierarchy of assembly criteria based on crystallographic observations, and subsequently quantify the strengths of the non-covalent interactions using Kohn-Sham density functional calculations. We provide, for the first time, a detailed description of the electrostatic potentials (ESPs) of the actinyl tetrahalide dianions and reconcile crystallographically observed structural motifs and non-covalent interaction (NCI) acceptor-donor pairings. Our findings indicate that the average electrostatic potential across the halogen ligands (the acceptors) changes by only ~2 kJ mol-1 across the AnO22+ series, indicating the magnitude of the potential is independent of the metal center. The role of the cation is therefore critical in directing structural motifs and dictating the resulting hydrogen and halogen bond strengths, the former being stronger due to the positive charge centralized on the pyridyl nitrogen N-H+. Subsequent analyses using the Quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) approaches support this conclusion and highlight the structure directing role of the cations. Whereas one can infer that the 2 Columbic attraction is the driver for assembly, the contribution of the non-covalent interaction is to direct the molecular-level arrangement (or disposition) of the tectons.

Regular growth of systems of functions and systems of non-homogeneous convolution equations in convex domains of the complex plane

International Nuclear Information System (INIS)

Krivosheev, A S

2000-01-01

In this paper we introduce the notion of regular growth for a system of entire functions of finite order and type. This is a direct and natural generalization of the classical completely regular growth of an entire function. We obtain sufficient and necessary conditions for the solubility of a system of non-homogeneous convolution equations in convex domains of the complex plane. These conditions depend on whether the system of Laplace transforms of the analytic functionals that generate the convolution equations has regular growth. In the case of smooth convex domains, these solubility conditions form a criterion

Poisson-Jacobi reduction of homogeneous tensors

International Nuclear Information System (INIS)

Grabowski, J; Iglesias, D; Marrero, J C; Padron, E; Urbanski, P

2004-01-01

The notion of homogeneous tensors is discussed. We show that there is a one-to-one correspondence between multivector fields on a manifold M, homogeneous with respect to a vector field Δ on M, and first-order polydifferential operators on a closed submanifold N of codimension 1 such that Δ is transversal to N. This correspondence relates the Schouten-Nijenhuis bracket of multivector fields on M to the Schouten-Jacobi bracket of first-order polydifferential operators on N and generalizes the Poissonization of Jacobi manifolds. Actually, it can be viewed as a super-Poissonization. This procedure of passing from a homogeneous multivector field to a first-order polydifferential operator can also be understood as a sort of reduction; in the standard case-a half of a Poisson reduction. A dual version of the above correspondence yields in particular the correspondence between Δ-homogeneous symplectic structures on M and contact structures on N

Non-homogeneous dynamic Bayesian networks for continuous data

NARCIS (Netherlands)

Grzegorczyk, Marco; Husmeier, Dirk

Classical dynamic Bayesian networks (DBNs) are based on the homogeneous Markov assumption and cannot deal with non-homogeneous temporal processes. Various approaches to relax the homogeneity assumption have recently been proposed. The present paper presents a combination of a Bayesian network with

The Determining Finite Automata Process

Directory of Open Access Journals (Sweden)

M. S. Vinogradova

2017-01-01

Full Text Available The theory of formal languages widely uses finite state automata both in implementation of automata-based approach to programming, and in synthesis of logical control algorithms.To ensure unambiguous operation of the algorithms, the synthesized finite state automata must be deterministic. Within the approach to the synthesis of the mobile robot controls, for example, based on the theory of formal languages, there are problems concerning the construction of various finite automata, but such finite automata, as a rule, will not be deterministic. The algorithm of determinization can be applied to the finite automata, as specified, in various ways. The basic ideas of the algorithm of determinization can be most simply explained using the representations of a finite automaton in the form of a weighted directed graph.The paper deals with finite automata represented as weighted directed graphs, and discusses in detail the procedure for determining the finite automata represented in this way. Gives a detailed description of the algorithm for determining finite automata. A large number of examples illustrate a capability of the determinization algorithm.

Basic Finite Element Method

International Nuclear Information System (INIS)

Lee, Byeong Hae

1992-02-01

This book gives descriptions of basic finite element method, which includes basic finite element method and data, black box, writing of data, definition of VECTOR, definition of matrix, matrix and multiplication of matrix, addition of matrix, and unit matrix, conception of hardness matrix like spring power and displacement, governed equation of an elastic body, finite element method, Fortran method and programming such as composition of computer, order of programming and data card and Fortran card, finite element program and application of nonelastic problem.

Al-doped ZnO seed layer-dependent crystallographic control of ZnO nanorods by using electrochemical deposition

Energy Technology Data Exchange (ETDEWEB)

Son, Hyo-Soo; Choi, Nak-Jung [Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung 429-793 (Korea, Republic of); Kim, Kyoung-Bo [Department of Metallurgical and Materials Engineering, Inha Technical College, Incheon 402-752 (Korea, Republic of); Kim, Moojin [Department of Renewable Energy, Jungwon University, Goesan-gun, Chungbuk 367-805 (Korea, Republic of); Lee, Sung-Nam, E-mail: snlee@kpu.ac.kr [Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung 429-793 (Korea, Republic of)

2016-10-15

Highlights: • Polar and semipolar ZnO NRs were successfully achieved by hydrothermal synthesis. • Semipolar and polar ZnO NRs were grown on ZnO and AZO/m-sapphire, respectively. • Al % of AZO/m-sapphire enhanced the lateral growth rate of polar ZnO NRs. - Abstract: We investigated the effect of an Al-doped ZnO film on the crystallographic direction of ZnO nanorods (NRs) using electrochemical deposition. From high-solution X-ray diffraction measurements, the crystallographic plane of ZnO NRs grown on (1 0 0) ZnO/m-plane sapphire was (1 0 1). The surface grain size of the (100) Al-doped ZnO (AZO) film decreased with increasing Al content in the ZnO seed layer, implying that the Al dopant accelerated the three-dimensional (3D) growth of the AZO film. In addition, it was found that with increasing Al doping concentration of the AZO seed layer, the crystal orientation of the ZnO NRs grown on the AZO seed layer changed from [1 0 1] to [0 0 1]. With increasing Al content of the nonpolar (1 0 0) AZO seed layer, the small surface grains with a few crystallographic planes of the AZO film changed from semipolar (1 0 1) ZnO NRs to polar (0 0 1) ZnO NRs due to the increase of the vertical [0 0 1] growth rate of the ZnO NRs owing to excellent electrical properties.

Crystallographic disorder and magnetism in UPd2-xSn

International Nuclear Information System (INIS)

Suellow, S.; Mattheus, C.C.; Becker, B.; Snel, C.E.; Nieuwenhuys, G.J.; Mydosh, J.A.; Schenck, A.

1997-01-01

The intermetallic compound UPd 2 Sn has been shown in previous investigations to crystallize in an orthorhombic structure (space group Pnma). No indications for magnetic or superconducting transitions were found. However, if the Pd content is reduced, then, similar to UNi 2 Sn, a structural transition occurs. We prepared UPd 1.85 Sn and found it to crystallize as a Heusler compound in the MnCu 2 Al-structure (space group Fm anti 3m). Now the system undergoes a transition into a disordered magnetic state at T mag ≅ 28 K. Here, we present our measurements of the specific heat, susceptibility and muon relaxation of UPd 1.85 Sn, and discuss the nature of the magnetic state in relation to the crystallographic structure. (orig.)

Homogeneous Poisson structures

International Nuclear Information System (INIS)

Shafei Deh Abad, A.; Malek, F.

1993-09-01

We provide an algebraic definition for Schouten product and give a decomposition for any homogenenous Poisson structure in any n-dimensional vector space. A large class of n-homogeneous Poisson structures in R k is also characterized. (author). 4 refs

Five-parameter crystallographic characteristics of the interfaces formed during ferrite to austenite transformation in a duplex stainless steel

Science.gov (United States)

Haghdadi, N.; Cizek, P.; Hodgson, P. D.; Tari, V.; Rohrer, G. S.; Beladi, H.

2018-05-01

The crystallography of interfaces in a duplex stainless steel having an equiaxed microstructure produced through the ferrite to austenite diffusive phase transformation has been studied. The five-parameter interface character distribution revealed a high anisotropy in habit planes for the austenite-ferrite and austenite-austenite interfaces for different lattice misorientations. The austenite and ferrite habit planes largely terminated on (1 1 1) and (1 1 0) planes, respectively, for the austenite-ferrite interfaces associated with Kurdjumov-Sachs (K-S) and Nishiyama-Wasserman (N-W) orientation relationships. This was mostly attributed to the crystallographic preference associated with the phase transformation. For the austenite-ferrite interfaces with orientation relationships which are neither K-S nor N-W, both austenite and ferrite habit planes had (1 1 1) orientations. Σ3 twin boundaries comprised the majority of austenite-austenite interfaces, mostly showing a pure twist character and terminating on (1 1 1) planes due to the minimum energy configuration. The second highest populated austenite-austenite boundary was Σ9, which tended to have grain boundary planes in the tilt zone due to the geometrical constraints. Furthermore, the intervariant crystallographic plane distribution associated with the K-S orientation relationship displayed a general tendency for the austenite habit planes to terminate with the (1 1 1) orientation, mainly due to the crystallographic preference associated with the phase transformation.

Guided waves dispersion equations for orthotropic multilayered pipes solved using standard finite elements code.

Science.gov (United States)

Predoi, Mihai Valentin

2014-09-01

The dispersion curves for hollow multilayered cylinders are prerequisites in any practical guided waves application on such structures. The equations for homogeneous isotropic materials have been established more than 120 years ago. The difficulties in finding numerical solutions to analytic expressions remain considerable, especially if the materials are orthotropic visco-elastic as in the composites used for pipes in the last decades. Among other numerical techniques, the semi-analytical finite elements method has proven its capability of solving this problem. Two possibilities exist to model a finite elements eigenvalue problem: a two-dimensional cross-section model of the pipe or a radial segment model, intersecting the layers between the inner and the outer radius of the pipe. The last possibility is here adopted and distinct differential problems are deduced for longitudinal L(0,n), torsional T(0,n) and flexural F(m,n) modes. Eigenvalue problems are deduced for the three modes classes, offering explicit forms of each coefficient for the matrices used in an available general purpose finite elements code. Comparisons with existing solutions for pipes filled with non-linear viscoelastic fluid or visco-elastic coatings as well as for a fully orthotropic hollow cylinder are all proving the reliability and ease of use of this method. Copyright © 2014 Elsevier B.V. All rights reserved.

Homogenization of High-Contrast Brinkman Flows

KAUST Repository

Brown, Donald L.

2015-04-16

Modeling porous flow in complex media is a challenging problem. Not only is the problem inherently multiscale but, due to high contrast in permeability values, flow velocities may differ greatly throughout the medium. To avoid complicated interface conditions, the Brinkman model is often used for such flows [O. Iliev, R. Lazarov, and J. Willems, Multiscale Model. Simul., 9 (2011), pp. 1350--1372]. Instead of permeability variations and contrast being contained in the geometric media structure, this information is contained in a highly varying and high-contrast coefficient. In this work, we present two main contributions. First, we develop a novel homogenization procedure for the high-contrast Brinkman equations by constructing correctors and carefully estimating the residuals. Understanding the relationship between scales and contrast values is critical to obtaining useful estimates. Therefore, standard convergence-based homogenization techniques [G. A. Chechkin, A. L. Piatniski, and A. S. Shamev, Homogenization: Methods and Applications, Transl. Math. Monogr. 234, American Mathematical Society, Providence, RI, 2007, G. Allaire, SIAM J. Math. Anal., 23 (1992), pp. 1482--1518], although a powerful tool, are not applicable here. Our second point is that the Brinkman equations, in certain scaling regimes, are invariant under homogenization. Unlike in the case of Stokes-to-Darcy homogenization [D. Brown, P. Popov, and Y. Efendiev, GEM Int. J. Geomath., 2 (2011), pp. 281--305, E. Marusic-Paloka and A. Mikelic, Boll. Un. Mat. Ital. A (7), 10 (1996), pp. 661--671], the results presented here under certain velocity regimes yield a Brinkman-to-Brinkman upscaling that allows using a single software platform to compute on both microscales and macroscales. In this paper, we discuss the homogenized Brinkman equations. We derive auxiliary cell problems to build correctors and calculate effective coefficients for certain velocity regimes. Due to the boundary effects, we construct

Mean anisotropy of homogeneous Gaussian random fields and anisotropic norms of linear translation-invariant operators on multidimensional integer lattices

Directory of Open Access Journals (Sweden)

Phil Diamond

2003-01-01

Full Text Available Sensitivity of output of a linear operator to its input can be quantified in various ways. In Control Theory, the input is usually interpreted as disturbance and the output is to be minimized in some sense. In stochastic worst-case design settings, the disturbance is considered random with imprecisely known probability distribution. The prior set of probability measures can be chosen so as to quantify how far the disturbance deviates from the white-noise hypothesis of Linear Quadratic Gaussian control. Such deviation can be measured by the minimal Kullback-Leibler informational divergence from the Gaussian distributions with zero mean and scalar covariance matrices. The resulting anisotropy functional is defined for finite power random vectors. Originally, anisotropy was introduced for directionally generic random vectors as the relative entropy of the normalized vector with respect to the uniform distribution on the unit sphere. The associated a-anisotropic norm of a matrix is then its maximum root mean square or average energy gain with respect to finite power or directionally generic inputs whose anisotropy is bounded above by a≥0. We give a systematic comparison of the anisotropy functionals and the associated norms. These are considered for unboundedly growing fragments of homogeneous Gaussian random fields on multidimensional integer lattice to yield mean anisotropy. Correspondingly, the anisotropic norms of finite matrices are extended to bounded linear translation invariant operators over such fields.

Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.

Science.gov (United States)

Huschmann, Franziska U; Linnik, Janina; Sparta, Karine; Ühlein, Monika; Wang, Xiaojie; Metz, Alexander; Schiebel, Johannes; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S; Mueller, Uwe

2016-05-01

Crystallographic screening of the binding of small organic compounds (termed fragments) to proteins is increasingly important for medicinal chemistry-oriented drug discovery. To enable such experiments in a widespread manner, an affordable 96-compound library has been assembled for fragment screening in both academia and industry. The library is selected from already existing protein-ligand structures and is characterized by a broad ligand diversity, including buffer ingredients, carbohydrates, nucleotides, amino acids, peptide-like fragments and various drug-like organic compounds. When applied to the model protease endothiapepsin in a crystallographic screening experiment, a hit rate of nearly 10% was obtained. In comparison to other fragment libraries and considering that no pre-screening was performed, this hit rate is remarkably high. This demonstrates the general suitability of the selected compounds for an initial fragment-screening campaign. The library composition, experimental considerations and time requirements for a complete crystallographic fragment-screening campaign are discussed as well as the nine fully refined obtained endothiapepsin-fragment structures. While most of the fragments bind close to the catalytic centre of endothiapepsin in poses that have been observed previously, two fragments address new sites on the protein surface. ITC measurements show that the fragments bind to endothiapepsin with millimolar affinity.

Structures of endothiapepsin–fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library

Science.gov (United States)

Huschmann, Franziska U.; Linnik, Janina; Sparta, Karine; Ühlein, Monika; Wang, Xiaojie; Metz, Alexander; Schiebel, Johannes; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S.; Mueller, Uwe

2016-01-01

Crystallographic screening of the binding of small organic compounds (termed fragments) to proteins is increasingly important for medicinal chemistry-oriented drug discovery. To enable such experiments in a widespread manner, an affordable 96-compound library has been assembled for fragment screening in both academia and industry. The library is selected from already existing protein–ligand structures and is characterized by a broad ligand diversity, including buffer ingredients, carbohydrates, nucleotides, amino acids, peptide-like fragments and various drug-like organic compounds. When applied to the model protease endothiapepsin in a crystallographic screening experiment, a hit rate of nearly 10% was obtained. In comparison to other fragment libraries and considering that no pre-screening was performed, this hit rate is remarkably high. This demonstrates the general suitability of the selected compounds for an initial fragment-screening campaign. The library composition, experimental considerations and time requirements for a complete crystallographic fragment-screening campaign are discussed as well as the nine fully refined obtained endothiapepsin–fragment structures. While most of the fragments bind close to the catalytic centre of endothiapepsin in poses that have been observed previously, two fragments address new sites on the protein surface. ITC measurements show that the fragments bind to endothiapepsin with millimolar affinity. PMID:27139825

Fast Transient And Spatially Non-Homogenous Accident Analysis Of Two-Dimensional Cylindrical Nuclear Reactor

International Nuclear Information System (INIS)

Yulianti, Yanti; Su'ud, Zaki; Waris, Abdul; Khotimah, S. N.; Shafii, M. Ali

2010-01-01

The research about fast transient and spatially non-homogenous nuclear reactor accident analysis of two-dimensional nuclear reactor has been done. This research is about prediction of reactor behavior is during accident. In the present study, space-time diffusion equation is solved by using direct methods which consider spatial factor in detail during nuclear reactor accident simulation. Set of equations that obtained from full implicit finite-difference discretization method is solved by using iterative methods ADI (Alternating Direct Implicit). The indication of accident is decreasing macroscopic absorption cross-section that results large external reactivity. The power reactor has a peak value before reactor has new balance condition. Changing of temperature reactor produce a negative Doppler feedback reactivity. The reactivity will reduce excess positive reactivity. Temperature reactor during accident is still in below fuel melting point which is in secure condition.

A personal view on homogenization

International Nuclear Information System (INIS)

Tartar, L.

1987-02-01

The evolution of some ideas is first described. Under the name homogenization are collected all the mathematical results who help understanding the relations between the microstructure of a material and its macroscopic properties. Homogenization results are given through a critically detailed bibliography. The mathematical models given are systems of partial differential equations, supposed to describe some properties at a scale ε and we want to understand what will happen to the solutions if ε tends to 0

A finite landscape?

International Nuclear Information System (INIS)

Acharya, B.S.; Douglas, M.R.

2006-06-01

We present evidence that the number of string/M theory vacua consistent with experiments is finite. We do this both by explicit analysis of infinite sequences of vacua and by applying various mathematical finiteness theorems. (author)

Fractional finite Fourier transform.

Science.gov (United States)

Khare, Kedar; George, Nicholas

2004-07-01

We show that a fractional version of the finite Fourier transform may be defined by using prolate spheroidal wave functions of order zero. The transform is linear and additive in its index and asymptotically goes over to Namias's definition of the fractional Fourier transform. As a special case of this definition, it is shown that the finite Fourier transform may be inverted by using information over a finite range of frequencies in Fourier space, the inversion being sensitive to noise. Numerical illustrations for both forward (fractional) and inverse finite transforms are provided.

Characterization of Crystallographic Structures Using Bragg-Edge Neutron Imaging at the Spallation Neutron Source

Directory of Open Access Journals (Sweden)

Gian Song

2017-12-01

Full Text Available Over the past decade, wavelength-dependent neutron radiography, also known as Bragg-edge imaging, has been employed as a non-destructive bulk characterization method due to its sensitivity to coherent elastic neutron scattering that is associated with crystalline structures. Several analysis approaches have been developed to quantitatively determine crystalline orientation, lattice strain, and phase distribution. In this study, we report a systematic investigation of the crystal structures of metallic materials (such as selected textureless powder samples and additively manufactured (AM Inconel 718 samples, using Bragg-edge imaging at the Oak Ridge National Laboratory (ORNL Spallation Neutron Source (SNS. Firstly, we have implemented a phenomenological Gaussian-based fitting in a Python-based computer called iBeatles. Secondly, we have developed a model-based approach to analyze Bragg-edge transmission spectra, which allows quantitative determination of the crystallographic attributes. Moreover, neutron diffraction measurements were carried out to validate the Bragg-edge analytical methods. These results demonstrate that the microstructural complexity (in this case, texture plays a key role in determining the crystallographic parameters (lattice constant or interplanar spacing, which implies that the Bragg-edge image analysis methods must be carefully selected based on the material structures.

Homogeneous turbulence dynamics

CERN Document Server

Sagaut, Pierre

2018-01-01

This book provides state-of-the-art results and theories in homogeneous turbulence, including anisotropy and compressibility effects with extension to quantum turbulence, magneto-hydodynamic turbulence  and turbulence in non-newtonian fluids. Each chapter is devoted to a given type of interaction (strain, rotation, shear, etc.), and presents and compares experimental data, numerical results, analysis of the Reynolds stress budget equations and advanced multipoint spectral theories. The role of both linear and non-linear mechanisms is emphasized. The link between the statistical properties and the dynamics of coherent structures is also addressed. Despite its restriction to homogeneous turbulence, the book is of interest to all people working in turbulence, since the basic physical mechanisms which are present in all turbulent flows are explained. The reader will find a unified presentation of the results and a clear presentation of existing controversies. Special attention is given to bridge the results obta...

Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations

International Nuclear Information System (INIS)

Bennett, Joseph W.; Rabe, Karin M.

2012-01-01

In this concept paper, the development of strategies for the integration of first-principles methods with crystallographic database mining for the discovery and design of novel ferroelectric materials is discussed, drawing on the results and experience derived from exploratory investigations on three different systems: (1) the double perovskite Sr(Sb 1/2 Mn 1/2 )O 3 as a candidate semiconducting ferroelectric; (2) polar derivatives of schafarzikite MSb 2 O 4 ; and (3) ferroelectric semiconductors with formula M 2 P 2 (S,Se) 6 . A variety of avenues for further research and investigation are suggested, including automated structure type classification, low-symmetry improper ferroelectrics, and high-throughput first-principles searches for additional representatives of structural families with desirable functional properties. - Graphical abstract: Integration of first-principles methods with crystallographic database mining, for the discovery and design of novel ferroelectric materials, could potentially lead to new classes of multifunctional materials. Highlights: ► Integration of first-principles methods and database mining. ► Minor structural families with desirable functional properties. ► Survey of polar entries in the Inorganic Crystal Structural Database.

Preliminary X-ray crystallographic analysis of the d-xylulose 5-phosphate phosphoketolase from Lactococcus lactis

International Nuclear Information System (INIS)

Petrareanu, Georgiana; Balasu, Mihaela C.; Zander, Ulrich; Scheidig, Axel J.; Szedlacsek, Stefan E.

2010-01-01

The expression, purification, preliminary crystallization and crystallographic analysis of phosphoketolase from L. lactis ssp. lactis (strain IL 1403) are reported. Phosphoketolases are thiamine diphosphate-dependent enzymes which play a central role in the pentose-phosphate pathway of heterofermentative lactic acid bacteria. They belong to the family of aldehyde-lyases and in the presence of phosphate ion cleave the carbon–carbon bond of the specific substrate d-xylulose 5-phosphate (or d-fructose 6-phosphate) to give acetyl phosphate and d-glyceraldehyde 3-phosphate (or d-erythrose 4-phosphate). Structural information about phosphoketolases is particularly important in order to fully understand their mechanism as well as the steric course of phosphoketolase-catalyzed reactions. Here, the purification, preliminary crystallization and crystallographic characterization of d-xylulose 5-phosphate phosphoketolase from Lactococcus lactis are reported. The presence of thiamine diphosphate during purification was essential for the enzymatic activity of the purified protein. The crystals belonged to the monoclinic space group P2 1 . Diffraction data were obtained to a resolution of 2.2 Å

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

OpenAIRE

Fenn, Timothy D.; Schnieders, Michael J.; Mustyakimov, Marat; Wu, Chuanjie; Langan, Paul; Pande, Vijay S.; Brunger, Axel T.

2011-01-01

Most current crystallographic structure refinements augment the diffraction data with a priori information consisting of bond, angle, dihedral, planarity restraints and atomic repulsion based on the Pauli exclusion principle. Yet, electrostatics and van der Waals attraction are physical forces that provide additional a priori information. Here we assess the inclusion of electrostatics for the force field used for all-atom (including hydrogen) joint neutron/X-ray refinement. Two DNA and a prot...

Purification, crystallization and preliminary crystallographic analysis of human cystathionine β-synthase

International Nuclear Information System (INIS)

Oyenarte, Iker; Majtan, Tomas; Ereño, June; Corral-Rodríguez, María Angeles; Kraus, Jan P.; Martínez-Cruz, Luis Alfonso

2012-01-01

This article describes the crystallization and preliminary crystallographic analysis of a protein construct (hCBS 516–525 ) that contains the full-length cystathionine β-synthase from Homo sapiens (hCBS) and just lacks amino-acid residues 516–525. Human cystathionine β-synthase (CBS) is a pyridoxal-5′-phosphate-dependent hemeprotein, whose catalytic activity is regulated by S-adenosylmethionine. CBS catalyzes the β-replacement reaction of homocysteine (Hcy) with serine to yield cystathionine. CBS is a key regulator of plasma levels of the thrombogenic Hcy and deficiency in CBS is the single most common cause of homocystinuria, an inherited metabolic disorder of sulfur amino acids. The properties of CBS enzymes, such as domain organization, oligomerization degree or regulatory mechanisms, are not conserved across the eukaryotes. The current body of knowledge is insufficient to understand these differences and their impact on CBS function and physiology. To overcome this deficiency, we have addressed the crystallization and preliminary crystallographic analysis of a protein construct (hCBS 516–525 ) that contains the full-length CBS from Homo sapiens (hCBS) and just lacks amino-acid residues 516–525, which are located in a disordered loop. The human enzyme yielded crystals belonging to space group I222, with unit-cell parameters a = 124.98, b = 136.33, c = 169.83 Å and diffracting X-rays to a resolution of 3.0 Å. The crystal structure appears to contain two molecules in the asymmetric unit which presumably correspond to a dimeric form of the enzyme

Crystallization and preliminary crystallographic analysis of l-asparaginase from Erwinia carotovora

Energy Technology Data Exchange (ETDEWEB)

Wikman, Linnea E. K. [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland); Krasotkina, Julya; Kuchumova, Anastasia; Sokolov, Nikolay N. [Institute for Biomedical Chemistry, Russian Academy of Medical Sciences, 559-B, 10 Pogodinskay St, Moscow 119121 (Russian Federation); Papageorgiou, Anastassios C., E-mail: tassos.papageorgiou@btk.fi [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland)

2005-04-01

Er. carotovoral-asparaginase, a potential antileukaemic agent, has been crystallized. Crystals diffract to 2.6 Å using a rotating-anode source and belong to space group P2{sub 1}, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. Bacterial l-asparaginases have been used as therapeutic agents in the treatment of acute childhood lymphoblastic leukaemia for over 30 y. However, their use is limited owing to the glutaminase activity of the administered enzymes, which results in serious side effects. In contrast, l-asparaginase from Erwinia carotovora exhibits low glutaminase activity at physiological concentrations of l-asparagine and l-glutamine in the blood. Recombinant Er. carotovoral-asparaginase was crystallized in the presence of l-glutamate by the hanging-drop vapour-diffusion method using 10 mg ml{sup −1} purified enzyme, 16–18%(w/v) PEG 3350 and 0.2 M NaF. X-ray diffraction data were collected to 2.6 Å at 293 K using an in-house rotating-anode generator. The crystals belong to the monoclinic P2{sub 1} space group, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. A molecular-replacement solution has been found and refinement is currently in progress. The crystal structure may provide leads towards protein-engineering efforts aimed at safer asparaginase administration in leukaemia treatment.

The finite-difference and finite-element modeling of seismic wave propagation and earthquake motion

International Nuclear Information System (INIS)

Moszo, P.; Kristek, J.; Galis, M.; Pazak, P.; Balazovijech, M.

2006-01-01

Numerical modeling of seismic wave propagation and earthquake motion is an irreplaceable tool in investigation of the Earth's structure, processes in the Earth, and particularly earthquake phenomena. Among various numerical methods, the finite-difference method is the dominant method in the modeling of earthquake motion. Moreover, it is becoming more important in the seismic exploration and structural modeling. At the same time we are convinced that the best time of the finite-difference method in seismology is in the future. This monograph provides tutorial and detailed introduction to the application of the finite-difference, finite-element, and hybrid finite-difference-finite-element methods to the modeling of seismic wave propagation and earthquake motion. The text does not cover all topics and aspects of the methods. We focus on those to which we have contributed. (Author)

Magnon localization and Bloch oscillations in finite Heisenberg spin chains in an inhomogeneous magnetic field.

Science.gov (United States)

Kosevich, Yuriy A; Gann, Vladimir V

2013-06-19

We study the localization of magnon states in finite defect-free Heisenberg spin-1/2 ferromagnetic chains placed in an inhomogeneous magnetic field with a constant spatial gradient. Continuous transformation from the extended magnon states to the localized Wannier-Zeeman states in a finite spin chain placed in an inhomogeneous field is described both analytically and numerically. We describe for the first time the non-monotonic dependence of the energy levels of magnons, both long and short wavelength, on the magnetic field gradient, which is a consequence of magnon localization in a finite spin chain. We show that, in contrast to the destruction of the magnon band and the establishment of the Wannier-Stark ladder in a vanishingly small field gradient in an infinite chain, the localization of magnon states at the chain ends preserves the memory of the magnon band. Essentially, the localization at the lower- or higher-field chain end resembles the localization of the positive- or negative-effective-mass band quasiparticles. We also show how the beat dynamics of coherent superposition of extended spin waves in a finite chain in a homogeneous or weakly inhomogeneous field transforms into magnon Bloch oscillations of the superposition of localized Wannier-Zeeman states in a strongly inhomogeneous field. We provide a semiclassical description of the magnon Bloch oscillations and show that the correspondence between the quantum and semiclassical descriptions is most accurate for Bloch oscillations of the magnon coherent states, which are built from a coherent superposition of a large number of the nearest-neighbour Wannier-Zeeman states.

Magnon localization and Bloch oscillations in finite Heisenberg spin chains in an inhomogeneous magnetic field

International Nuclear Information System (INIS)

Kosevich, Yuriy A; Gann, Vladimir V

2013-01-01

We study the localization of magnon states in finite defect-free Heisenberg spin-1/2 ferromagnetic chains placed in an inhomogeneous magnetic field with a constant spatial gradient. Continuous transformation from the extended magnon states to the localized Wannier–Zeeman states in a finite spin chain placed in an inhomogeneous field is described both analytically and numerically. We describe for the first time the non-monotonic dependence of the energy levels of magnons, both long and short wavelength, on the magnetic field gradient, which is a consequence of magnon localization in a finite spin chain. We show that, in contrast to the destruction of the magnon band and the establishment of the Wannier–Stark ladder in a vanishingly small field gradient in an infinite chain, the localization of magnon states at the chain ends preserves the memory of the magnon band. Essentially, the localization at the lower- or higher-field chain end resembles the localization of the positive- or negative-effective-mass band quasiparticles. We also show how the beat dynamics of coherent superposition of extended spin waves in a finite chain in a homogeneous or weakly inhomogeneous field transforms into magnon Bloch oscillations of the superposition of localized Wannier–Zeeman states in a strongly inhomogeneous field. We provide a semiclassical description of the magnon Bloch oscillations and show that the correspondence between the quantum and semiclassical descriptions is most accurate for Bloch oscillations of the magnon coherent states, which are built from a coherent superposition of a large number of the nearest-neighbour Wannier–Zeeman states. (paper)

Dissolution test for homogeneity of mixed oxide fuel pellets

International Nuclear Information System (INIS)

Lerch, R.E.

1979-08-01

Experiments were performed to determine the relationship between fuel pellet homogeneity and pellet dissolubility. Although, in general, the amount of pellet residue decreased with increased homogeneity, as measured by the pellet figure of merit, the relationship was not absolute. Thus, all pellets with high figure of merit (excellent homogeneity) do not necessarily dissolve completely and all samples that dissolve completely do not necessarily have excellent homogeneity. It was therefore concluded that pellet dissolubility measurements could not be substituted for figure of merit determinations as a measurement of pellet homogeneity. 8 figures, 3 tables

Nonlinear saturation of stimulated Raman scattering in a collisional homogeneous plasma

International Nuclear Information System (INIS)

McKinstrie, C.J.

1985-11-01

Using multiple scale analysis, the nonlinear saturation of the stimulated Raman scattering instability is examined in a collisional homogeneous plasma. The first problem considered is the temporal problem in an infinite plasma, with a ubiquitous driver and arbitrary damping for each wave. The second problem considered is the absolute Raman instability in a finite plasma. The incident wave amplitude exceeds the absolute instability threshold by the fractional amount Δ. In the marginally unstable regime, the complete time dependence and spatial variation of each wave amplitude is obtained. An expression for the reflected light intensity is determined analytically, and is proportional to Δ. The conditions under which the steady-state results can be extended to the moderately unstable regime are discussed. The reflected light intensity is compared to values predicted for the convective instability, for the same incident intensity. In ''short'' plasmas, i.e., ones which extend over only a few linear convective gain lengths, the reflected intensity is found to be much higher when the absolute instability is excited

A Finite-Volume approach for compressible single- and two-phase flows in flexible pipelines with fluid-structure interaction

Science.gov (United States)

Daude, F.; Galon, P.

2018-06-01

A Finite-Volume scheme for the numerical computations of compressible single- and two-phase flows in flexible pipelines is proposed based on an approximate Godunov-type approach. The spatial discretization is here obtained using the HLLC scheme. In addition, the numerical treatment of abrupt changes in area and network including several pipelines connected at junctions is also considered. The proposed approach is based on the integral form of the governing equations making it possible to tackle general equations of state. A coupled approach for the resolution of fluid-structure interaction of compressible fluid flowing in flexible pipes is considered. The structural problem is solved using Euler-Bernoulli beam finite elements. The present Finite-Volume method is applied to ideal gas and two-phase steam-water based on the Homogeneous Equilibrium Model (HEM) in conjunction with a tabulated equation of state in order to demonstrate its ability to tackle general equations of state. The extensive application of the scheme for both shock tube and other transient flow problems demonstrates its capability to resolve such problems accurately and robustly. Finally, the proposed 1-D fluid-structure interaction model appears to be computationally efficient.

High-Order Entropy Stable Finite Difference Schemes for Nonlinear Conservation Laws: Finite Domains

Science.gov (United States)

Fisher, Travis C.; Carpenter, Mark H.

2013-01-01

Developing stable and robust high-order finite difference schemes requires mathematical formalism and appropriate methods of analysis. In this work, nonlinear entropy stability is used to derive provably stable high-order finite difference methods with formal boundary closures for conservation laws. Particular emphasis is placed on the entropy stability of the compressible Navier-Stokes equations. A newly derived entropy stable weighted essentially non-oscillatory finite difference method is used to simulate problems with shocks and a conservative, entropy stable, narrow-stencil finite difference approach is used to approximate viscous terms.

Homogenization patterns of the world's freshwater fish faunas.

Science.gov (United States)

Villéger, Sébastien; Blanchet, Simon; Beauchard, Olivier; Oberdorff, Thierry; Brosse, Sébastien

2011-11-01

The world is currently undergoing an unprecedented decline in biodiversity, which is mainly attributable to human activities. For instance, nonnative species introduction, combined with the extirpation of native species, affects biodiversity patterns, notably by increasing the similarity among species assemblages. This biodiversity change, called taxonomic homogenization, has rarely been assessed at the world scale. Here, we fill this gap by assessing the current homogenization status of one of the most diverse vertebrate groups (i.e., freshwater fishes) at global and regional scales. We demonstrate that current homogenization of the freshwater fish faunas is still low at the world scale (0.5%) but reaches substantial levels (up to 10%) in some highly invaded river basins from the Nearctic and Palearctic realms. In these realms experiencing high changes, nonnative species introductions rather than native species extirpations drive taxonomic homogenization. Our results suggest that the "Homogocene era" is not yet the case for freshwater fish fauna at the worldwide scale. However, the distressingly high level of homogenization noted for some biogeographical realms stresses the need for further understanding of the ecological consequences of homogenization processes.

Finite rotation shells basic equations and finite elements for Reissner kinematics

CERN Document Server

Wisniewski, K

2010-01-01

This book covers theoretical and computational aspects of non-linear shells. Several advanced topics of shell equations and finite elements - not included in standard textbooks on finite elements - are addressed, and the book includes an extensive bibliography.

Homogen Mur - et udviklingsprojekt

DEFF Research Database (Denmark)

Dahl, Torben; Beim, Anne; Sørensen, Peter

1997-01-01

Mølletorvet i Slagelse er det første byggeri i Danmark, hvor ydervæggen er udført af homogene bærende og isolerende teglblokke. Byggeriet viser en række af de muligheder, der både med hensyn til konstruktioner, energiforhold og arkitektur ligger i anvendelsen af homogent blokmurværk.......Mølletorvet i Slagelse er det første byggeri i Danmark, hvor ydervæggen er udført af homogene bærende og isolerende teglblokke. Byggeriet viser en række af de muligheder, der både med hensyn til konstruktioner, energiforhold og arkitektur ligger i anvendelsen af homogent blokmurværk....

Oxide nanoparticles in an Al-alloyed oxide dispersion strengthened steel: crystallographic structure and interface with ferrite matrix

DEFF Research Database (Denmark)

Zhang, Zhenbo; Pantleon, Wolfgang

2017-01-01

Oxide nanoparticles are quintessential for ensuring the extraordinary properties of oxide dispersion strengthened (ODS) steels. In this study, the crystallographic structure of oxide nanoparticles, and their interface with the ferritic steel matrix in an Al-alloyed ODS steel, i.e. PM2000, were...

Error analysis of semidiscrete finite element methods for inhomogeneous time-fractional diffusion

KAUST Repository

Jin, B.; Lazarov, R.; Pasciak, J.; Zhou, Z.

2014-01-01

© 2014 Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved. We consider the initial-boundary value problem for an inhomogeneous time-fractional diffusion equation with a homogeneous Dirichlet boundary condition, a vanishing initial data and a nonsmooth right-hand side in a bounded convex polyhedral domain. We analyse two semidiscrete schemes based on the standard Galerkin and lumped mass finite element methods. Almost optimal error estimates are obtained for right-hand side data f (x, t) ε L∞ (0, T; Hq(ω)), ≤1≥ 1, for both semidiscrete schemes. For the lumped mass method, the optimal L2(ω)-norm error estimate requires symmetric meshes. Finally, twodimensional numerical experiments are presented to verify our theoretical results.

Error analysis of semidiscrete finite element methods for inhomogeneous time-fractional diffusion

KAUST Repository

Jin, B.

2014-05-30

© 2014 Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved. We consider the initial-boundary value problem for an inhomogeneous time-fractional diffusion equation with a homogeneous Dirichlet boundary condition, a vanishing initial data and a nonsmooth right-hand side in a bounded convex polyhedral domain. We analyse two semidiscrete schemes based on the standard Galerkin and lumped mass finite element methods. Almost optimal error estimates are obtained for right-hand side data f (x, t) ε L∞ (0, T; Hq(ω)), ≤1≥ 1, for both semidiscrete schemes. For the lumped mass method, the optimal L2(ω)-norm error estimate requires symmetric meshes. Finally, twodimensional numerical experiments are presented to verify our theoretical results.

Crystallographic and infrared spectroscopic study of bond distances in Ln[Fe(CN)6].4H2O (Ln=lanthanide)

International Nuclear Information System (INIS)

Zhou Xianju; Wong, W.-T.; Faucher, Michele D.; Tanner, Peter A.

2008-01-01

Along with crystallographic data of Ln[Fe(CN) 6 ].4H 2 O (Ln=lanthanide), the infrared spectra are reassigned to examine bond length trends across the series of Ln. The changes in mean Ln-O, Ln-N, C≡N and Fe-C distances are discussed and the bond natures of Ln-N and Ln-O are studied by bond length linear or quadratic fitting and comparisons with relevant ionic radii. The two different C≡N bond distances have been simulated by the covalo-electrostatic model. - Graphical abstract: Crystallographic and FTIR data for Ln[Fe(CN) 6 ].4H 2 O enable the changes in Ln-O, Ln-N, C≡N and Fe-C distances to be determined and modeled across the lanthanide series

Finite element analysis of functionally graded bone plate at femur bone fracture site

Science.gov (United States)

Satapathy, Pravat Kumar; Sahoo, Bamadev; Panda, L. N.; Das, S.

2018-03-01

This paper focuses on the analysis of fractured Femur bone with functionally graded bone plate. The Femur bone is modeled by using the data from the CT (Computerized Tomography) scan and the material properties are assigned using Mimics software. The fracture fixation plate used here is composed of Functionally Graded Material (FGM). The functionally graded bone plate is considered to be composed of different layers of homogeneous materials. Finite element method approach is adopted for analysis. The volume fraction of the material is calculated by considering its variation along the thickness direction (z) according to a power law and the effective properties of the homogeneous layers are estimated. The model developed is validated by comparing numerical results available in the literature. Static analysis has been performed for the bone plate system by considering both axial compressive load and torsional load. The investigation shows that by introducing FG bone plate instead of titanium, the stress at the fracture site increases by 63 percentage and the deformation decreases by 15 percentage, especially when torsional load is taken into consideration. The present model yields better results in comparison with the commercially available bone plates.

The analysis of crystallographic symmetry types in finite groups

Science.gov (United States)

Sani, Atikah Mohd; Sarmin, Nor Haniza; Adam, Nooraishikin; Zamri, Siti Norziahidayu Amzee

2014-06-01

Undeniably, it is human nature to prefer objects which are considered beautiful. Most consider beautiful as perfection, hence they try to create objects which are perfectly balance in shape and patterns. This creates a whole different kind of art, the kind that requires an object to be symmetrical. This leads to the study of symmetrical objects and pattern. Even mathematicians and ethnomathematicians are very interested with the essence of symmetry. One of these studies were conducted on the Malay traditional triaxial weaving culture. The patterns derived from this technique are symmetrical and this allows for further research. In this paper, the 17 symmetry types in a plane, known as the wallpaper groups, are studied and discussed. The wallpaper groups will then be applied to the triaxial patterns of food cover in Malaysia.

Performance of Halbach magnet arrays with finite coercivity

International Nuclear Information System (INIS)

Insinga, A.R.; Bahl, C.R.H.; Bjørk, R.; Smith, A.

2016-01-01

A numerical method to study the effect of finite coercivity on the Halbach cylinder geometry is presented. Despite the fact that the analytical solution available for this geometry does not set any limit to the maximum air gap flux density achievable, in real life the non-linear response of the magnetic material and the fact that the coercivity is not infinite will limit the attainable field. The presented method is able to predict when and where demagnetization will occur, and these predictions are compared with the analytical solution for the case of infinite coercivity. However, the approach presented here also allows quantification of the decrease in flux density and homogeneity for a partially demagnetized magnet. Moreover, the problem of how to realize a Halbach cylinder geometry using a mix of materials with different coercivities without altering the overall performance is addressed. Being based on a numerical approach, the presented method can be employed to analyze the demagnetization effects due to coercivity for any geometry, even when the analytical solution is not available. - Highlights: • The effect of the finite coercivity on the performance of the Halbach cylinder geometry is analyzed • FEM predictions of demagnetization are in agreement with the analytical calculations. • Performance in the non-linear regime is quantified by the average and uniformity of the field • We show which regions in the geometry are more likely to experience non-linear behavior. • We provide a recipe for the fabrication of a multi-material Halbach cylinder

The Use of Sparse Direct Solver in Vector Finite Element Modeling for Calculating Two Dimensional (2-D) Magnetotelluric Responses in Transverse Electric (TE) Mode

Science.gov (United States)

Yihaa Roodhiyah, Lisa’; Tjong, Tiffany; Nurhasan; Sutarno, D.

2018-04-01

The late research, linear matrices of vector finite element in two dimensional(2-D) magnetotelluric (MT) responses modeling was solved by non-sparse direct solver in TE mode. Nevertheless, there is some weakness which have to be improved especially accuracy in the low frequency (10-3 Hz-10-5 Hz) which is not achieved yet and high cost computation in dense mesh. In this work, the solver which is used is sparse direct solver instead of non-sparse direct solverto overcome the weaknesses of solving linear matrices of vector finite element metod using non-sparse direct solver. Sparse direct solver will be advantageous in solving linear matrices of vector finite element method because of the matrix properties which is symmetrical and sparse. The validation of sparse direct solver in solving linear matrices of vector finite element has been done for a homogen half-space model and vertical contact model by analytical solution. Thevalidation result of sparse direct solver in solving linear matrices of vector finite element shows that sparse direct solver is more stable than non-sparse direct solver in computing linear problem of vector finite element method especially in low frequency. In the end, the accuracy of 2D MT responses modelling in low frequency (10-3 Hz-10-5 Hz) has been reached out under the efficient allocation memory of array and less computational time consuming.

At-tank Low-Activity Feed Homogeneity Analysis Verification

International Nuclear Information System (INIS)

DOUGLAS, J.G.

2000-01-01

This report evaluates the merit of selecting sodium, aluminum, and cesium-137 as analytes to indicate homogeneity of soluble species in low-activity waste (LAW) feed and recommends possible analytes and physical properties that could serve as rapid screening indicators for LAW feed homogeneity. The three analytes are adequate as screening indicators of soluble species homogeneity for tank waste when a mixing pump is used to thoroughly mix the waste in the waste feed staging tank and when all dissolved species are present at concentrations well below their solubility limits. If either of these conditions is violated, then the three indicators may not be sufficiently chemically representative of other waste constituents to reliably indicate homogeneity in the feed supernatant. Additional homogeneity indicators that should be considered are anions such as fluoride, sulfate, and phosphate, total organic carbon/total inorganic carbon, and total alpha to estimate the transuranic species. Physical property measurements such as gamma profiling, conductivity, specific gravity, and total suspended solids are recommended as possible at-tank methods for indicating homogeneity. Indicators of LAW feed homogeneity are needed to reduce the U.S. Department of Energy, Office of River Protection (ORP) Program's contractual risk by assuring that the waste feed is within the contractual composition and can be supplied to the waste treatment plant within the schedule requirements

Finite Boltzmann schemes

NARCIS (Netherlands)

Sman, van der R.G.M.

2006-01-01

In the special case of relaxation parameter = 1 lattice Boltzmann schemes for (convection) diffusion and fluid flow are equivalent to finite difference/volume (FD) schemes, and are thus coined finite Boltzmann (FB) schemes. We show that the equivalence is inherent to the homology of the

Development of a partitioned finite volume-finite element fluid-structure interaction scheme for strongly-coupled problems

CSIR Research Space (South Africa)

Suliman, Ridhwaan

2012-07-01

Full Text Available -linear deformations are accounted for. As will be demonstrated, the finite volume approach exhibits similar disad- vantages to the linear Q4 finite element formulation when undergoing bending. An enhanced finite volume approach is discussed and compared with finite...

Dipolar local field in homogeneously magnetized quasi-two-dimensional crystals

International Nuclear Information System (INIS)

Leon, H; Estevez-Rams, E

2009-01-01

A formalism to calculate the dipolar local field in homogeneously magnetized quasi-two-dimensional (Q2D) crystals is comprehensively presented. Two fundamental tests for this formalism are accomplished: the transition from the Q2D quantities to the corresponding 3D ones; and the recovering of the macroscopic quantities of the 3D continuum theory. The additive separation between lattice and shape contributions to the local field allows an unambiguous interpretation of the respective effects. Calculated demagnetization tensors for square and circular lateral geometries of dipole layers show that for a single crystal layer an extremely thin film, but still with a finite thickness, is a better physical representation than a strictly 2D plane. Distinct close-packed structures are simulated and calculations of the local field at the nodes of the stacked 2D lattices allow one to establish the number of significantly coupled dipole layers, depending on the ratio between the interlayer distance and the 2D lattice constant. The conclusions drawn are of interest for the study of the dipolar interaction in magnetic ultrathin films and other nanostructured materials, where magnetic nanoparticles are embedded in non-magnetic matrices.

Parallel computing for homogeneous diffusion and transport equations in neutronics

International Nuclear Information System (INIS)

Pinchedez, K.

1999-06-01

Parallel computing meets the ever-increasing requirements for neutronic computer code speed and accuracy. In this work, two different approaches have been considered. We first parallelized the sequential algorithm used by the neutronics code CRONOS developed at the French Atomic Energy Commission. The algorithm computes the dominant eigenvalue associated with PN simplified transport equations by a mixed finite element method. Several parallel algorithms have been developed on distributed memory machines. The performances of the parallel algorithms have been studied experimentally by implementation on a T3D Cray and theoretically by complexity models. A comparison of various parallel algorithms has confirmed the chosen implementations. We next applied a domain sub-division technique to the two-group diffusion Eigen problem. In the modal synthesis-based method, the global spectrum is determined from the partial spectra associated with sub-domains. Then the Eigen problem is expanded on a family composed, on the one hand, from eigenfunctions associated with the sub-domains and, on the other hand, from functions corresponding to the contribution from the interface between the sub-domains. For a 2-D homogeneous core, this modal method has been validated and its accuracy has been measured. (author)

Rearrangement of crystallographic domains driven by magnetic field in ferromagnetic Ni2MnGa and antiferromagnetic CoO

International Nuclear Information System (INIS)

Terai, Tomoyuki; Yasui, Motoyoshi; Yamamoto, Masataka; Kakeshita, Tomoyuki

2009-01-01

We have investigated the rearrangement of crystallographic domains (martensite variants) in Ni 2 MnGa ferromagnetic shape memory alloy and CoO antiferromagnetic oxide by applying magnetic field up to 8.0 MA/m. From the result of optical microscope observation of Ni 2 MnGa single crystal, when a magnetic field is applied along [001] p (p represents a parent phase), the rearrangement of crystallographic domains occurs and the single domain state is obtained below T Ms = 202 K. The same rearrangement occurs but partially when a magnetic field is applied along [110] p . On the other hand, when a magnetic field is applied along [111] p , the rearrangement does not occur. In case of the CoO single crystal, when a magnetic field is applied along [001] p below T Ms = 293 K, the rearrangement occurs at 170 K ≤ T ≤ 293 K, but does not occur at T p and [111] p , the rearrangement does not occur below T Ms . In order to explain the rearrangement in the alloy and the oxide, we have evaluated the magnetic shear stress, τ mag , which is derived from the difference in magnetic energy among crystallographic domains and have compared it with the shear stress required for the twinning plane movement, τ req . As a result, we have found that the rearrangement occurs when the value of τ mag is larger than or equal to the value of τ req for the present alloy and oxide.

Study on the crystallographic orientation relationship and formation mechanism of reversed austenite in economical Cr12 super martensitic stainless steel

International Nuclear Information System (INIS)

Ye, Dong; Li, Shaohong; Li, Jun; Jiang, Wen; Su, Jie; Zhao, Kunyu

2015-01-01

Effect of carbides and crystallographic orientation relationship on the formation mechanism of reversed austenite of economical Cr12 super martensitic stainless steel (SMSS) has been investigated mainly by transmission electron microscopy (TEM) and electron backscatter diffraction (EBSD). The results indicate that the M_2_3C_6 precipitation and the formation of the reversed austenite have the interaction effect during tempering process in SMSS. The reversed austenite forms intensively at the sub-block boundary and the lath boundary within a misorientation range of 0–60°. M_2_3C_6 has the same crystallographic orientation relationship with reversed austenite. There are two different kinds of formation modes for reversed austenite. One is a nondiffusional shear reversion; the other is a diffusion transformation. Both are strictly limited by crystallographic orientation relationship. The austenite variants are limited to two kinds within one packet and five kinds within one prior austenite grain. - Highlights: • Reversed austenite forms at martensite boundaries with misorientation of 0–60° • M_2_3C_6 precipitation and reversed austenite formation have the interaction effect. • Two austenite variants with different orientations can be formed inside a packet. • Two reversed austenite formation modes: shear reversion; diffusion transformation

Study on the crystallographic orientation relationship and formation mechanism of reversed austenite in economical Cr12 super martensitic stainless steel

Energy Technology Data Exchange (ETDEWEB)

Ye, Dong; Li, Shaohong; Li, Jun; Jiang, Wen [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China); Su, Jie [Institute for Structural Materials, Central Iron and Steel Research Institute, Beijing 100081 (China); Zhao, Kunyu, E-mail: kyzhaoy@sina.com [Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China)

2015-11-15

Effect of carbides and crystallographic orientation relationship on the formation mechanism of reversed austenite of economical Cr12 super martensitic stainless steel (SMSS) has been investigated mainly by transmission electron microscopy (TEM) and electron backscatter diffraction (EBSD). The results indicate that the M{sub 23}C{sub 6} precipitation and the formation of the reversed austenite have the interaction effect during tempering process in SMSS. The reversed austenite forms intensively at the sub-block boundary and the lath boundary within a misorientation range of 0–60°. M{sub 23}C{sub 6} has the same crystallographic orientation relationship with reversed austenite. There are two different kinds of formation modes for reversed austenite. One is a nondiffusional shear reversion; the other is a diffusion transformation. Both are strictly limited by crystallographic orientation relationship. The austenite variants are limited to two kinds within one packet and five kinds within one prior austenite grain. - Highlights: • Reversed austenite forms at martensite boundaries with misorientation of 0–60° • M{sub 23}C{sub 6} precipitation and reversed austenite formation have the interaction effect. • Two austenite variants with different orientations can be formed inside a packet. • Two reversed austenite formation modes: shear reversion; diffusion transformation.

Finite quantum field theories

International Nuclear Information System (INIS)

Lucha, W.; Neufeld, H.

1986-01-01

We investigate the relation between finiteness of a four-dimensional quantum field theory and global supersymmetry. To this end we consider the most general quantum field theory and analyse the finiteness conditions resulting from the requirement of the absence of divergent contributions to the renormalizations of the parameters of the theory. In addition to the gauge bosons, both fermions and scalar bosons turn out to be a necessary ingredient in a non-trivial finite gauge theory. In all cases discussed, the supersymmetric theory restricted by two well-known constraints on the dimensionless couplings proves to be the unique solution of the finiteness conditions. (Author)

Tungsten heavy metal alloys relations between the crystallographic texture and the internal stress distribution

International Nuclear Information System (INIS)

Nicolas, G.; Voltz, M.

2001-01-01

Quite often the W-Ni-Fe-Co heavy alloys are subjected to a thermomechanical processing of swaging and aging in order to obtain the highest possible level of resistance. Within the framework of this plastic deformation on cylindrical parts, the swaging leads to the distribution of morphological and crystallographic texture as well as specific internal stresses. The resulting mechanical characteristics are correlated to structural and sub-structural variations. (author)

Verification of homogenization in fast critical assembly analyses

International Nuclear Information System (INIS)

Chiba, Go

2006-01-01

In the present paper, homogenization procedures for fast critical assembly analyses are investigated. Errors caused by homogenizations are evaluated by the exact perturbation theory. In order to obtain reference solutions, three-dimensional plate-wise transport calculations are performed. It is found that the angular neutron flux along plate boundaries has a significant peak in the fission source energy range. To treat this angular dependence accurately, the double-Gaussian Chebyshev angular quadrature set with S 24 is applied. It is shown that the difference between the heterogeneous leakage theory and the homogeneous theory is negligible, and that transport cross sections homogenized with neutron flux significantly underestimate neutron leakage. The error in criticality caused by a homogenization is estimated at about 0.1%Δk/kk' in a small fast critical assembly. In addition, the neutron leakage is overestimated by both leakage theories when sodium plates in fuel lattices are voided. (author)

Cosmic homogeneity: a spectroscopic and model-independent measurement

Science.gov (United States)

Gonçalves, R. S.; Carvalho, G. C.; Bengaly, C. A. P., Jr.; Carvalho, J. C.; Bernui, A.; Alcaniz, J. S.; Maartens, R.

2018-03-01

Cosmology relies on the Cosmological Principle, i.e. the hypothesis that the Universe is homogeneous and isotropic on large scales. This implies in particular that the counts of galaxies should approach a homogeneous scaling with volume at sufficiently large scales. Testing homogeneity is crucial to obtain a correct interpretation of the physical assumptions underlying the current cosmic acceleration and structure formation of the Universe. In this letter, we use the Baryon Oscillation Spectroscopic Survey to make the first spectroscopic and model-independent measurements of the angular homogeneity scale θh. Applying four statistical estimators, we show that the angular distribution of galaxies in the range 0.46 < z < 0.62 is consistent with homogeneity at large scales, and that θh varies with redshift, indicating a smoother Universe in the past. These results are in agreement with the foundations of the standard cosmological paradigm.

A Modified Homogeneous Balance Method and Its Applications

International Nuclear Information System (INIS)

Liu Chunping

2011-01-01

A modified homogeneous balance method is proposed by improving some key steps in the homogeneous balance method. Bilinear equations of some nonlinear evolution equations are derived by using the modified homogeneous balance method. Generalized Boussinesq equation, KP equation, and mKdV equation are chosen as examples to illustrate our method. This approach is also applicable to a large variety of nonlinear evolution equations. (general)

Multilevel Monte Carlo Approaches for Numerical Homogenization

KAUST Repository

Efendiev, Yalchin R.; Kronsbein, Cornelia; Legoll, Fré dé ric

2015-01-01

it comes to homogenized solutions, different levels of coarse-grid meshes are used to solve the homogenized equation. We show that, by carefully selecting the number of realizations at each level, we can achieve a speed-up in the computations in comparison

40-Godišnjica institucije Cambridge Crystallographic Data Centre posvećene pohranjivanju podataka o molekularnim i kristalnim strukturama -

Directory of Open Access Journals (Sweden)

Molčanov, K.

2006-06-01

Full Text Available The article is dedicated to 40th anniversary of The Cambridge Crystallographic Data Centre (CCDC, the world-known centre (http://www.ccdc.cam.ac.uk responsible for deposition and control of crystallographic data, including atomic coordinates that define the three-dimensional structures of organic molecules and metal complexes containing organic ligands. Cambride Structural Database (CSD, one among the first established electronic databases, nowadays is the most significant crystallographic database in the world. CSD has about 400,000 deposited structures. The use of the extensive database, which is growing rapidly, needs support of efficient and sophisticated software for searching, analysing and visualising structural data. The seminal role of CSD in the research related to crystallography, chemistry, material sciences, solid state physics and chemistry, life sciences, pharmacology, and in particular in drug design, has been documented in more than 1300 scientific papers. The important issues of CCDC are the accuracy of deposited data and development of software that enables a wide variety of applications. Such demanding project requires higly competent team of experts; thus the article brings into focus the scientific approach of the team based on the long tradition in crystallography, modelling and informatics. The article is not dedicated to 40th anniversary of the centre only, but it also reveals how Cambridge Structural Database can be used in the research and teaching. The use of electronic media and computer graphics makes “data mining" very efficient and useful but also esthetically appealing due to the molecular architecture. At the Rudjer Bošković Institute, Zagreb, Croatia there is The National Affiliated Centre of Cambridge Crystallographic Data Centre responsible for communication and dissemination of CSD in Croatia, Slovenia and Macedonia. The use of CSD is illustrated by two examples performed and published by the presenting

Output Feedback Finite-Time Stabilization of Systems Subject to Hölder Disturbances via Continuous Fractional Sliding Modes

Directory of Open Access Journals (Sweden)

Aldo-Jonathan Muñoz-Vázquez

2017-01-01

Full Text Available The problem of designing a continuous control to guarantee finite-time tracking based on output feedback for a system subject to a Hölder disturbance has remained elusive. The main difficulty stems from the fact that such disturbance stands for a function that is continuous but not necessarily differentiable in any integer-order sense, yet it is fractional-order differentiable. This problem imposes a formidable challenge of practical interest in engineering because (i it is common that only partial access to the state is available and, then, output feedback is needed; (ii such disturbances are present in more realistic applications, suggesting a fractional-order controller; and (iii continuous robust control is a must in several control applications. Consequently, these stringent requirements demand a sound mathematical framework for designing a solution to this control problem. To estimate the full state in finite-time, a high-order sliding mode-based differentiator is considered. Then, a continuous fractional differintegral sliding mode is proposed to reject Hölder disturbances, as well as for uncertainties and unmodeled dynamics. Finally, a homogeneous closed-loop system is enforced by means of a continuous nominal control, assuring finite-time convergence. Numerical simulations are presented to show the reliability of the proposed method.

Finite fields and applications

CERN Document Server

Mullen, Gary L

2007-01-01

This book provides a brief and accessible introduction to the theory of finite fields and to some of their many fascinating and practical applications. The first chapter is devoted to the theory of finite fields. After covering their construction and elementary properties, the authors discuss the trace and norm functions, bases for finite fields, and properties of polynomials over finite fields. Each of the remaining chapters details applications. Chapter 2 deals with combinatorial topics such as the construction of sets of orthogonal latin squares, affine and projective planes, block designs, and Hadamard matrices. Chapters 3 and 4 provide a number of constructions and basic properties of error-correcting codes and cryptographic systems using finite fields. Each chapter includes a set of exercises of varying levels of difficulty which help to further explain and motivate the material. Appendix A provides a brief review of the basic number theory and abstract algebra used in the text, as well as exercises rel...

Brillouin-zone database on the Bilbao Crystallographic Server.

Science.gov (United States)

Aroyo, Mois I; Orobengoa, Danel; de la Flor, Gemma; Tasci, Emre S; Perez-Mato, J Manuel; Wondratschek, Hans

2014-03-01

The Brillouin-zone database of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) offers k-vector tables and figures which form the background of a classification of the irreducible representations of all 230 space groups. The symmetry properties of the wavevectors are described by the so-called reciprocal-space groups and this classification scheme is compared with the classification of Cracknell et al. [Kronecker Product Tables, Vol. 1, General Introduction and Tables of Irreducible Representations of Space Groups (1979). New York: IFI/Plenum]. The compilation provides a solution to the problems of uniqueness and completeness of space-group representations by specifying the independent parameter ranges of general and special k vectors. Guides to the k-vector tables and figures explain the content and arrangement of the data. Recent improvements and modifications of the Brillouin-zone database, including new tables and figures for the trigonal, hexagonal and monoclinic space groups, are discussed in detail and illustrated by several examples.

On finite quantum field theories

International Nuclear Information System (INIS)

Rajpoot, S.; Taylor, J.G.

1984-01-01

The properties that make massless versions of N = 4 super Yang-Mills theory and a class of N = 2 supersymmetric theories finite are: (I) a universal coupling for the gauge and matter interactions, (II) anomaly-free representations to which the bosonic and fermionic matter belong, and (III) no charge renormalisation, i.e. β(g) = 0. It was conjectured that field theories constructed out of N = 1 matter multiplets are also finite if they too share the above properties. Explicit calculations have verified these theories to be finite up to two loops. The implications of the finiteness conditions for N = 1 finite field theories with SU(M) gauge symmetry are discussed. (orig.)

Modeling fragmentation with new high order finite element technology and node splitting

Directory of Open Access Journals (Sweden)

Olovsson Lars

2015-01-01

Full Text Available The modeling of fragmentation has historically been linked to the weapons industry where the main goal is to optimize a bomb or to design effective blast shields. Numerical modeling of fragmentation from dynamic loading has traditionally been modeled by legacy finite element solvers that rely on element erosion to model material failure. However this method results in the removal of too much material. This is not realistic as retaining the mass of the structure is critical to modeling the event correctly. We propose a new approach implemented in the IMPETUS AFEA SOLVER® based on the following: New High Order Finite Elements that can easily deal with very large deformations; Stochastic distribution of initial damage that allows for a non homogeneous distribution of fragments; and a Node Splitting Algorithm that allows for material fracture without element erosion that is mesh independent. The approach is evaluated for various materials and scenarios: -Titanium ring electromagnetic compression; Hard steel Taylor bar impact, Fused silica Taylor bar impact, Steel cylinder explosion, The results obtained from the simulations are representative of the failure mechanisms observed experimentally. The main benefit of this approach is good energy conservation (no loss of mass and numerical robustness even in complex situations.

Finite size scaling theory

International Nuclear Information System (INIS)

Rittenberg, V.

1983-01-01

Fischer's finite-size scaling describes the cross over from the singular behaviour of thermodynamic quantities at the critical point to the analytic behaviour of the finite system. Recent extensions of the method--transfer matrix technique, and the Hamiltonian formalism--are discussed in this paper. The method is presented, with equations deriving scaling function, critical temperature, and exponent v. As an application of the method, a 3-states Hamiltonian with Z 3 global symmetry is studied. Diagonalization of the Hamiltonian for finite chains allows one to estimate the critical exponents, and also to discover new phase transitions at lower temperatures. The critical points lambda, and indices v estimated for finite-scaling are given

Enhancing nanoscale SEM image segmentation and reconstruction with crystallographic orientation data and machine learning

International Nuclear Information System (INIS)

Converse, Matthew I.; Fullwood, David T.

2013-01-01

Current methods of image segmentation and reconstructions from scanning electron micrographs can be inadequate for resolving nanoscale gaps in composite materials (1–20 nm). Such information is critical to both accurate material characterizations and models of piezoresistive response. The current work proposes the use of crystallographic orientation data and machine learning for enhancing this process. It is first shown how a machine learning algorithm can be used to predict the connectivity of nanoscale grains in a Nickel nanostrand/epoxy composite. This results in 71.9% accuracy for a 2D algorithm and 62.4% accuracy in 3D. Finally, it is demonstrated how these algorithms can be used to predict the location of gaps between distinct nanostrands — gaps which would otherwise not be detected with the sole use of a scanning electron microscope. - Highlights: • A method is proposed for enhancing the segmentation/reconstruction of SEM images. • 3D crystallographic orientation data from a nickel nanocomposite is collected. • A machine learning algorithm is used to detect trends in adjacent grains. • This algorithm is then applied to predict likely regions of nanoscale gaps. • These gaps would otherwise be unresolved with the sole use of an SEM

Homogenization in powder compacts of UO2-PuO2

International Nuclear Information System (INIS)

Verma, R.

1979-01-01

The homogenization kinetics in mixed UO 2 -PuO 2 compacts have been studied by adopting a concentric core-shell model of diffusion. An equation relating the extent of homogenization expressed in terms of the fraction of UO 2 remaining undissolved and the time of annealing has been derived. From the equation, the periods required at different annealing temperatures to attain a specified level of homogenization have been calculated. These calculated homogenization times have been found to be in fair agreement with the experimentally observed homogenization times. The derived relationship has also been shown to satisfactorily predict homogenization in Cu-Ni powder compacts. (Auth.)

Monte-Carlo simulation of crystallographical pore growth in III-V-semiconductors

International Nuclear Information System (INIS)

Leisner, Malte; Carstensen, Juergen; Foell, Helmut

2011-01-01

The growth of crystallographical pores in III-V-semiconductors can be understood in the framework of a simple model, which is based on the assumption that the branching of pores is proportional to the current density at the pore tips. The stochastic nature of this model allows its implementation into a three-dimensional Monte-Carlo-simulation of pore growth. The simulation is able to reproduce the experimentally observed crysto pore structures in III-V-semiconductors in full quantitative detail. The different branching probabilities for different semiconductors, as well as doping levels, can be deduced from the specific passivation behavior of the semiconductor-electrolyte-interface at the pore tips.

$\\delta$-Expansion at Finite Temperature

OpenAIRE

Ramos, Rudnei O.

1996-01-01

We apply the $\\delta$-expansion perturbation scheme to the $\\lambda \\phi^{4}$ self-interacting scalar field theory in 3+1 D at finite temperature. In the $\\delta$-expansion the interaction term is written as $\\lambda (\\phi^{2})^{ 1 + \\delta}$ and $\\delta$ is considered as the perturbation parameter. We compute within this perturbative approach the renormalized mass at finite temperature at a finite order in $\\delta$. The results are compared with the usual loop-expansion at finite temperature.

Finite spatial volume approach to finite temperature field theory

International Nuclear Information System (INIS)

Weiss, Nathan

1981-01-01

A relativistic quantum field theory at finite temperature T=β -1 is equivalent to the same field theory at zero temperature but with one spatial dimension of finite length β. This equivalence is discussed for scalars, for fermions, and for gauge theories. The relationship is checked for free field theory. The translation of correlation functions between the two formulations is described with special emphasis on the nonlocal order parameters of gauge theories. Possible applications are mentioned. (auth)

Homogeneity and Entropy

Science.gov (United States)

Tignanelli, H. L.; Vazquez, R. A.; Mostaccio, C.; Gordillo, S.; Plastino, A.

1990-11-01

RESUMEN. Presentamos una metodologia de analisis de la homogeneidad a partir de la Teoria de la Informaci6n, aplicable a muestras de datos observacionales. ABSTRACT:Standard concepts that underlie Information Theory are employed in order design a methodology that enables one to analyze the homogeneity of a given data sample. Key : DATA ANALYSIS

Microstructure and crystallographic preferred orientation of polycrystalline microgarnet aggregates developed during progressive creep, recovery, and grain boundary sliding

Science.gov (United States)

Massey, M.A.; Prior, D.J.; Moecher, D.P.

2011-01-01

Optical microscopy, electron probe microanalysis, and electron backscatter diffraction methods have been used to examine a broad range of garnet microstructures within a high strain zone that marks the western margin of a major transpression zone in the southern New England Appalachians. Garnet accommodated variable states of finite strain, expressed as low strain porphyroclasts (Type 1), high strain polycrystalline aggregates (Type 2), and transitional morphologies (Type 3) that range between these end members. Type 1 behaved as rigid porphyroclasts and is characterized by four concentric Ca growth zones. Type 2 help define foliation and lineation, are characterized by three Ca zones, and possess a consistent bulk crystallographic preferred orientation of (100) symmetrical to the tectonic fabric. Type 3 show variable degrees of porphyroclast associated with aggregate, where porphyroclasts display complex compositional zoning that corresponds to lattice distortion, low-angle boundaries, and subgrains, and aggregate CPO mimics porphyroclast orientation. All aggregates accommodated a significant proportion of greenschist facies deformation through grain boundary sliding, grain rotation and impingement, and pressure solution, which lead to a cohesive behavior and overall strain hardening of the aggregates. The characteristic CPO could not have been developed in this manner, and was the result of an older phase of partitioned amphibolite facies dislocation creep, recovery including chemical segregation, and recrystallization of porphyroclasts. This study demonstrates the significance of strain accommodation within garnet and its affect on composition under a range of PT conditions, and emphasizes the importance of utilizing EBSD methods with studies that rely upon a sound understanding of garnet. ?? 2010 Elsevier Ltd.

Selection of suitable prodrug candidates for in vivo studies via in vitro studies; the correlation of prodrug stability in between cell culture homogenates and human tissue homogenates.

Science.gov (United States)

Tsume, Yasuhiro; Amidon, Gordon L

2012-01-01

To determine the correlations/discrepancies of drug stabilities between in the homogenates of human culture cells and of human tissues. Amino acid/dipeptide monoester prodrugs of floxuridine were chosen as the model drugs. The stabilities (half-lives) of floxuridine prodrugs in human tissues (pancreas, liver, and small intestine) homogenates were obtained and compared with ones in cell culture homogenates (AcPC-1, Capan-2, and Caco-2 cells) as well as human liver microsomes. The correlations of prodrug stability in human small bowel tissue homogenate vs. Caco-2 cell homogenate, human liver tissue homogenate vs. human liver microsomes, and human pancreatic tissue homogenate vs. pancreatic cell, AsPC-1 and Capan-2, homogenates were examined. The stabilities of floxuridine prodrugs in human small bowel homogenate exhibited the great correlation to ones in Caco-2 cell homogenate (slope = 1.0-1.3, r2 = 0.79-0.98). The stability of those prodrugs in human pancreas tissue homogenate also exhibited the good correlations to ones in AsPC-1 and Capan-2 cells homogenates (slope = 0.5-0.8, r2 = 0.58-0.79). However, the correlations of prodrug stabilities between in human liver tissue homogenates and in human liver microsomes were weaker than others (slope = 1.3-1.9, r2 = 0.07-0.24). The correlations of drug stabilities in cultured cell homogenates and in human tissue homogenates were compared. Those results exhibited wide range of correlations between in cell homogenate and in human tissue homogenate (r2 = 0.07 - 0.98). Those in vitro studies in cell homogenates would be good tools to predict drug stabilities in vivo and to select drug candidates for further developments. In the series of experiments, 5'-O-D-valyl-floxuridine and 5'-O-L-phenylalanyl-L-tyrosyl-floxuridine would be selected as candidates of oral drug targeting delivery for cancer chemotherapy due to their relatively good stabilities compared to other tested prodrugs.

Toward whole-core neutron transport without spatial homogenization

International Nuclear Information System (INIS)

Lewis, E. E.

2009-01-01

Full text of publication follows: A long-term goal of computational reactor physics is the deterministic analysis of power reactor core neutronics without incurring significant discretization errors in the energy, spatial or angular variables. In principle, given large enough parallel configurations with unlimited CPU time and memory, this goal could be achieved using existing three-dimensional neutron transport codes. In practice, however, solving the Boltzmann equation for neutrons over the six-dimensional phase space is made intractable by the nature of neutron cross-sections and the complexity and size of power reactor cores. Tens of thousands of energy groups would be required for faithful cross section representation. Likewise, the numerous material interfaces present in power reactor lattices require exceedingly fine spatial mesh structures; these ubiquitous interfaces preclude effective implementation of adaptive grid, mesh-less methods and related techniques that have been applied so successfully in other areas of engineering science. These challenges notwithstanding, substantial progress continues in the pursuit for more robust deterministic methods for whole-core neutronics analysis. This paper examines the progress over roughly the last decade, emphasizing the space-angle variables and the quest to eliminate errors attributable to spatial homogenization. As prolog we briefly assess 1990's methods used in light water reactor analysis and review the lessons learned from the C5G7 benchmark exercises which were originated in 1999 to appraise the ability of transport codes to perform core calculations without homogenization. We proceed by examining progress over the last decade much of which falls into three areas. These may be broadly characterized as reduced homogenization, dynamic homogenization and planar-axial synthesis. In the first, homogenization in three-dimensional calculations is reduced from the fuel assembly to the pin-cell level. In the second

Homogenization models for thin rigid structured surfaces and films.

Science.gov (United States)

Marigo, Jean-Jacques; Maurel, Agnès

2016-07-01

A homogenization method for thin microstructured surfaces and films is presented. In both cases, sound hard materials are considered, associated with Neumann boundary conditions and the wave equation in the time domain is examined. For a structured surface, a boundary condition is obtained on an equivalent flat wall, which links the acoustic velocity to its normal and tangential derivatives (of the Myers type). For a structured film, jump conditions are obtained for the acoustic pressure and the normal velocity across an equivalent interface (of the Ventcels type). This interface homogenization is based on a matched asymptotic expansion technique, and differs slightly from the classical homogenization, which is known to fail for small structuration thicknesses. In order to get insight into what causes this failure, a two-step homogenization is proposed, mixing classical homogenization and matched asymptotic expansion. Results of the two homogenizations are analyzed in light of the associated elementary problems, which correspond to problems of fluid mechanics, namely, potential flows around rigid obstacles.

Sewage sludge disintegration by high-pressure homogenization: a sludge disintegration model.

Science.gov (United States)

Zhang, Yuxuan; Zhang, Panyue; Ma, Boqiang; Wu, Hao; Zhang, Sheng; Xu, Xin

2012-01-01

High-pressure homogenization (HPH) technology was applied as a pretreatment to disintegrate sewage sludge. The effects of homogenization pressure, homogenization cycle number, and total solid content on sludge disintegration were investigated. The sludge disintegration degree (DD(COD)), protein concentration, and polysaccharide concentration increased with the increase of homogenization pressure and homogenization cycle number, and decreased with the increase of sludge total solid (TS) content. The maximum DD(COD) of 43.94% was achieved at 80 MPa with four homogenization cycles for a 9.58 g/L TS sludge sample. A HPH sludge disintegration model of DD(COD) = kNaPb was established by multivariable linear regression to quantify the effects of homogenization parameters. The homogenization cycle exponent a and homogenization pressure exponent b were 0.4763 and 0.7324 respectively, showing that the effect of homogenization pressure (P) was more significant than that of homogenization cycle number (N). The value of the rate constant k decreased with the increase of sludge total solid content. The specific energy consumption increased with the increment of sludge disintegration efficiency. Lower specific energy consumption was required for higher total solid content sludge.

Variable order spherical harmonic expansion scheme for the radiative transport equation using finite elements

International Nuclear Information System (INIS)

Surya Mohan, P.; Tarvainen, Tanja; Schweiger, Martin; Pulkkinen, Aki; Arridge, Simon R.

2011-01-01

Highlights: → We developed a variable order global basis scheme to solve light transport in 3D. → Based on finite elements, the method can be applied to a wide class of geometries. → It is computationally cheap when compared to the fixed order scheme. → Comparisons with local basis method and other models demonstrate its accuracy. → Addresses problems encountered n modeling of light transport in human brain. - Abstract: We propose the P N approximation based on a finite element framework for solving the radiative transport equation with optical tomography as the primary application area. The key idea is to employ a variable order spherical harmonic expansion for angular discretization based on the proximity to the source and the local scattering coefficient. The proposed scheme is shown to be computationally efficient compared to employing homogeneously high orders of expansion everywhere in the domain. In addition the numerical method is shown to accurately describe the void regions encountered in the forward modeling of real-life specimens such as infant brains. The accuracy of the method is demonstrated over three model problems where the P N approximation is compared against Monte Carlo simulations and other state-of-the-art methods.

Finite-dimensional calculus

International Nuclear Information System (INIS)

Feinsilver, Philip; Schott, Rene

2009-01-01

We discuss topics related to finite-dimensional calculus in the context of finite-dimensional quantum mechanics. The truncated Heisenberg-Weyl algebra is called a TAA algebra after Tekin, Aydin and Arik who formulated it in terms of orthofermions. It is shown how to use a matrix approach to implement analytic representations of the Heisenberg-Weyl algebra in univariate and multivariate settings. We provide examples for the univariate case. Krawtchouk polynomials are presented in detail, including a review of Krawtchouk polynomials that illustrates some curious properties of the Heisenberg-Weyl algebra, as well as presenting an approach to computing Krawtchouk expansions. From a mathematical perspective, we are providing indications as to how to implement infinite terms Rota's 'finite operator calculus'.

Transfer of olivine crystallographic orientation through a cycle of serpentinisation and dehydration

Science.gov (United States)

Dunkel, Kristina G.; Austrheim, Håkon; Ildefonse, Benoit; Jamtveit, Bjørn

2017-08-01

Our ability to decipher the mechanisms behind metamorphic transformation processes depends in a major way on the extent to which crystallographic and microstructural information is transferred from one stage to another. Within the Leka Ophiolite Complex in the Central Norwegian Caledonides, prograde olivine veins that formed by dehydration of serpentinite veins in dunites exhibit a characteristic distribution of microstructures: The outer part of the veins comprises coarse-grained olivine that forms an unusual, brick-like microstructure. The inner part of the veins, surrounding a central fault, is composed of fine-grained olivine. Where the fault movement included a dilational component, optically clear, equant olivine occurs in the centre. Electron backscatter diffraction mapping reveals that the vein olivine has inherited its crystallographic preferred orientation (CPO) from the olivine in the porphyroclastic host rock; however, misorientation is weaker and associated to different rotation axes. We propose that prograde olivine grew epitaxially on relics of mantle olivine and thereby acquired its CPO. Growth towards pre-existing microfractures along which serpentinisation had occurred led to straight grain boundaries and a brick-like microstructure in the veins. When dehydration embrittlement induced slip, a strong strain localisation on discrete fault planes prevented distortion of the CPO due to cataclastic deformation; grain size reduction did not significantly modify the olivine CPO. This illustrates how a CPO can be preserved though an entire metamorphic cycle, including hydration, dehydration, and deformation processes, and that the CPO and the microstructures (e.g. grain shape) of one phase do not necessarily record the same event.

Mesh-size errors in diffusion-theory calculations using finite-difference and finite-element methods

International Nuclear Information System (INIS)

Baker, A.R.

1982-07-01

A study has been performed of mesh-size errors in diffusion-theory calculations using finite-difference and finite-element methods. As the objective was to illuminate the issues, the study was performed for a 1D slab model of a reactor with one neutron-energy group for which analytical solutions were possible. A computer code SLAB was specially written to perform the finite-difference and finite-element calculations and also to obtain the analytical solutions. The standard finite-difference equations were obtained by starting with an expansion of the neutron current in powers of the mesh size, h, and keeping terms as far as h 2 . It was confirmed that these equations led to the well-known result that the criticality parameter varied with the square of the mesh size. An improved form of the finite-difference equations was obtained by continuing the expansion for the neutron current as far as the term in h 4 . In this case, the critical parameter varied as the fourth power of the mesh size. The finite-element solutions for 2 and 3 nodes per element revealed that the criticality parameter varied as the square and fourth power of the mesh size, respectively. Numerical results are presented for a bare reactive core of uniform composition with 2 zones of different uniform mesh and for a reactive core with an absorptive reflector. (author)

A non-asymptotic homogenization theory for periodic electromagnetic structures.

Science.gov (United States)

Tsukerman, Igor; Markel, Vadim A

2014-08-08

Homogenization of electromagnetic periodic composites is treated as a two-scale problem and solved by approximating the fields on both scales with eigenmodes that satisfy Maxwell's equations and boundary conditions as accurately as possible. Built into this homogenization methodology is an error indicator whose value characterizes the accuracy of homogenization. The proposed theory allows one to define not only bulk, but also position-dependent material parameters (e.g. in proximity to a physical boundary) and to quantify the trade-off between the accuracy of homogenization and its range of applicability to various illumination conditions.

Homogenization of Large-Scale Movement Models in Ecology

Science.gov (United States)

Garlick, M.J.; Powell, J.A.; Hooten, M.B.; McFarlane, L.R.

2011-01-01

A difficulty in using diffusion models to predict large scale animal population dispersal is that individuals move differently based on local information (as opposed to gradients) in differing habitat types. This can be accommodated by using ecological diffusion. However, real environments are often spatially complex, limiting application of a direct approach. Homogenization for partial differential equations has long been applied to Fickian diffusion (in which average individual movement is organized along gradients of habitat and population density). We derive a homogenization procedure for ecological diffusion and apply it to a simple model for chronic wasting disease in mule deer. Homogenization allows us to determine the impact of small scale (10-100 m) habitat variability on large scale (10-100 km) movement. The procedure generates asymptotic equations for solutions on the large scale with parameters defined by small-scale variation. The simplicity of this homogenization procedure is striking when compared to the multi-dimensional homogenization procedure for Fickian diffusion,and the method will be equally straightforward for more complex models. ?? 2010 Society for Mathematical Biology.

CRYSTMET—The NRCC Metals Crystallographic Data File

Science.gov (United States)

Wood, Gordon H.; Rodgers, John R.; Gough, S. Roger; Villars, Pierre

1996-01-01

CRYSTMET is a computer-readable database of critically evaluated crystallographic data for metals (including alloys, intermetallics and minerals) accompanied by pertinent chemical, physical and bibliographic information. It currently contains about 60 000 entries and covers the literature exhaustively from 1913. Scientific editing of the abstracted entries, consisting of numerous automated and manual checks, is done to ensure consistency with related, previously published studies, to assign structure types where necessary and to help guarantee the accuracy of the data and related information. Analyses of the entries and their distribution across key journals as a function of time show interesting trends in the complexity of the compounds studied as well as in the elements they contain. Two applications of CRYSTMET are the identification of unknowns and the prediction of properties of materials. CRYSTMET is available either online or via license of a private copy from the Canadian Scientific Numeric Database Service (CAN/SND). The indexed online search and analysis system is easy and economical to use yet fast and powerful. Development of a new system is under way combining the capabilities of ORACLE with the flexibility of a modern interface based on the Netscape browsing tool. PMID:27805157

Nilpotent -local finite groups

Science.gov (United States)

Cantarero, José; Scherer, Jérôme; Viruel, Antonio

2014-10-01

We provide characterizations of -nilpotency for fusion systems and -local finite groups that are inspired by known result for finite groups. In particular, we generalize criteria by Atiyah, Brunetti, Frobenius, Quillen, Stammbach and Tate.

Persymmetric Adaptive Detectors of Subspace Signals in Homogeneous and Partially Homogeneous Clutter

Directory of Open Access Journals (Sweden)

Ding Hao

2015-08-01

Full Text Available In the field of adaptive radar detection, an effective strategy to improve the detection performance is to exploit the structural information of the covariance matrix, especially in the case of insufficient reference cells. Thus, in this study, the problem of detecting multidimensional subspace signals is discussed by considering the persymmetric structure of the clutter covariance matrix, which implies that the covariance matrix is persymmetric about its cross diagonal. Persymmetric adaptive detectors are derived on the basis of the one-step principle as well as the two-step Generalized Likelihood Ratio Test (GLRT in homogeneous and partially homogeneous clutter. The proposed detectors consider the structural information of the covariance matrix at the design stage. Simulation results suggest performance improvement compared with existing detectors when reference cells are insufficient. Moreover, the detection performance is assessed with respect to the effects of the covariance matrix, signal subspace dimension, and mismatched performance of signal subspace as well as signal fluctuations.

Finite flavour groups of fermions

International Nuclear Information System (INIS)

Grimus, Walter; Ludl, Patrick Otto

2012-01-01

We present an overview of the theory of finite groups, with regard to their application as flavour symmetries in particle physics. In a general part, we discuss useful theorems concerning group structure, conjugacy classes, representations and character tables. In a specialized part, we attempt to give a fairly comprehensive review of finite subgroups of SO(3) and SU(3), in which we apply and illustrate the general theory. Moreover, we also provide a concise description of the symmetric and alternating groups and comment on the relationship between finite subgroups of U(3) and finite subgroups of SU(3). Although in this review we give a detailed description of a wide range of finite groups, the main focus is on the methods which allow the exploration of their different aspects. (topical review)

Finite elements and approximation

CERN Document Server

Zienkiewicz, O C

2006-01-01

A powerful tool for the approximate solution of differential equations, the finite element is extensively used in industry and research. This book offers students of engineering and physics a comprehensive view of the principles involved, with numerous illustrative examples and exercises.Starting with continuum boundary value problems and the need for numerical discretization, the text examines finite difference methods, weighted residual methods in the context of continuous trial functions, and piecewise defined trial functions and the finite element method. Additional topics include higher o

Reduced density matrix functional theory at finite temperature

Energy Technology Data Exchange (ETDEWEB)

Baldsiefen, Tim

2012-10-15

iteratively construct approximate functionals for FT-RDMFT. The minimization of the corresponding first-order functional is shown to be equivalent to a solution of the finite-temperature Hartree-Fock (FT-HF) equations. We then present a self-consistent minimization scheme, much like the Kohn-Sham minimization scheme in DFT, and show that it can also be employed to effectively and efficiently minimize functionals from RDMFT. Finally, we investigate the temperature-dependent homogeneous electron gas (HEG), employing various techniques which include finite-temperature many-body perturbation theory (FT-MBPT) and FT-RDMFT. We focus on the description of the magnetic phase diagram and the temperaturedependent quasi-particle spectrum for collinear as well as chiral spin configurations.

Reduced density matrix functional theory at finite temperature

International Nuclear Information System (INIS)

Baldsiefen, Tim

2012-10-01

approximate functionals for FT-RDMFT. The minimization of the corresponding first-order functional is shown to be equivalent to a solution of the finite-temperature Hartree-Fock (FT-HF) equations. We then present a self-consistent minimization scheme, much like the Kohn-Sham minimization scheme in DFT, and show that it can also be employed to effectively and efficiently minimize functionals from RDMFT. Finally, we investigate the temperature-dependent homogeneous electron gas (HEG), employing various techniques which include finite-temperature many-body perturbation theory (FT-MBPT) and FT-RDMFT. We focus on the description of the magnetic phase diagram and the temperaturedependent quasi-particle spectrum for collinear as well as chiral spin configurations.

Layout optimization using the homogenization method

Science.gov (United States)

Suzuki, Katsuyuki; Kikuchi, Noboru

1993-01-01

A generalized layout problem involving sizing, shape, and topology optimization is solved by using the homogenization method for three-dimensional linearly elastic shell structures in order to seek a possibility of establishment of an integrated design system of automotive car bodies, as an extension of the previous work by Bendsoe and Kikuchi. A formulation of a three-dimensional homogenized shell, a solution algorithm, and several examples of computing the optimum layout are presented in this first part of the two articles.

Parallel iterative procedures for approximate solutions of wave propagation by finite element and finite difference methods

Energy Technology Data Exchange (ETDEWEB)

Kim, S. [Purdue Univ., West Lafayette, IN (United States)

1994-12-31

Parallel iterative procedures based on domain decomposition techniques are defined and analyzed for the numerical solution of wave propagation by finite element and finite difference methods. For finite element methods, in a Lagrangian framework, an efficient way for choosing the algorithm parameter as well as the algorithm convergence are indicated. Some heuristic arguments for finding the algorithm parameter for finite difference schemes are addressed. Numerical results are presented to indicate the effectiveness of the methods.

Finite Discrete Gabor Analysis

DEFF Research Database (Denmark)

Søndergaard, Peter Lempel

2007-01-01

frequency bands at certain times. Gabor theory can be formulated for both functions on the real line and for discrete signals of finite length. The two theories are largely the same because many aspects come from the same underlying theory of locally compact Abelian groups. The two types of Gabor systems...... can also be related by sampling and periodization. This thesis extends on this theory by showing new results for window construction. It also provides a discussion of the problems associated to discrete Gabor bases. The sampling and periodization connection is handy because it allows Gabor systems...... on the real line to be well approximated by finite and discrete Gabor frames. This method of approximation is especially attractive because efficient numerical methods exists for doing computations with finite, discrete Gabor systems. This thesis presents new algorithms for the efficient computation of finite...

Spectroscopic and crystallographic studies of YAG:Pr4+ single crystals

International Nuclear Information System (INIS)

Pawlak, D.; Frukacz, Z.; Mierczyk, Z.; Suchocki, A.; Zachara, J.

1998-01-01

Y 3 Al 5 O 12 single crystals doped with praseodymium and magnesium ions have been prepared. The reversible color change of this crystal is observed when annealing in oxidizing or reducing atmospheres. The change is ascribed to the formation of Pr 4+ in the as-grown crystal, caused by the second dopant, Mg 2+ . The absorption spectra of YAG:Pr,Mg in the range 200-1100 nm, as grown and annealed in air and H 2 /N 2 atmosphere, are presented and discussed. Additional broad absorption bands are observed for the as-grown crystals and those annealed in oxidizing atmosphere. Crystallographic investigations of the original crystal and after annealing in a reducing atmosphere as described above, show no distinct structural differences. A redox mechanism is proposed to explain the color change during annealing. (orig.)

Spatial homogenization method based on the inverse problem

International Nuclear Information System (INIS)

Tóta, Ádám; Makai, Mihály

2015-01-01

Highlights: • We derive a spatial homogenization method in slab and cylindrical geometries. • The fluxes and the currents on the boundary are preserved. • The reaction rates and the integral of the fluxes are preserved. • We present verification computations utilizing two- and four-energy groups. - Abstract: We present a method for deriving homogeneous multi-group cross sections to replace a heterogeneous region’s multi-group cross sections; providing that the fluxes, the currents on the external boundary, the reaction rates and the integral of the fluxes are preserved. We consider one-dimensional geometries: a symmetric slab and a homogeneous cylinder. Assuming that the boundary fluxes are given, two response matrices (RMs) can be defined concerning the current and the flux integral. The first one derives the boundary currents from the boundary fluxes, while the second one derives the flux integrals from the boundary fluxes. Further RMs can be defined that connects reaction rates to the boundary fluxes. Assuming that these matrices are known, we present formulae that reconstruct the multi-group diffusion cross-section matrix, the diffusion coefficients and the reaction cross sections in case of one-dimensional (1D) homogeneous regions. We apply these formulae to 1D heterogeneous regions and thus obtain a homogenization method. This method produces such an equivalent homogeneous material, that the fluxes and the currents on the external boundary, the reaction rates and the integral of the fluxes are preserved for any boundary fluxes. We carry out the exact derivations in 1D slab and cylindrical geometries. Verification computations for the presented homogenization method were performed using two- and four-group material cross sections, both in a slab and in a cylindrical geometry

Homogeneous bilateral block shifts

Indian Academy of Sciences (India)

Douglas class were classified in [3]; they are unilateral block shifts of arbitrary block size (i.e. dim H(n) can be anything). However, no examples of irreducible homogeneous bilateral block shifts of block size larger than 1 were known until now.

Massively Parallel Finite Element Programming

KAUST Repository

Heister, Timo; Kronbichler, Martin; Bangerth, Wolfgang

2010-01-01

Today's large finite element simulations require parallel algorithms to scale on clusters with thousands or tens of thousands of processor cores. We present data structures and algorithms to take advantage of the power of high performance computers in generic finite element codes. Existing generic finite element libraries often restrict the parallelization to parallel linear algebra routines. This is a limiting factor when solving on more than a few hundreds of cores. We describe routines for distributed storage of all major components coupled with efficient, scalable algorithms. We give an overview of our effort to enable the modern and generic finite element library deal.II to take advantage of the power of large clusters. In particular, we describe the construction of a distributed mesh and develop algorithms to fully parallelize the finite element calculation. Numerical results demonstrate good scalability. © 2010 Springer-Verlag.

Massively Parallel Finite Element Programming

KAUST Repository

Heister, Timo

2010-01-01

Today\\'s large finite element simulations require parallel algorithms to scale on clusters with thousands or tens of thousands of processor cores. We present data structures and algorithms to take advantage of the power of high performance computers in generic finite element codes. Existing generic finite element libraries often restrict the parallelization to parallel linear algebra routines. This is a limiting factor when solving on more than a few hundreds of cores. We describe routines for distributed storage of all major components coupled with efficient, scalable algorithms. We give an overview of our effort to enable the modern and generic finite element library deal.II to take advantage of the power of large clusters. In particular, we describe the construction of a distributed mesh and develop algorithms to fully parallelize the finite element calculation. Numerical results demonstrate good scalability. © 2010 Springer-Verlag.

Advantages of crystallographic fragment screening: functional and mechanistic insights from a powerful platform for efficient drug discovery.

Science.gov (United States)

Patel, Disha; Bauman, Joseph D; Arnold, Eddy

2014-01-01

X-ray crystallography has been an under-appreciated screening tool for fragment-based drug discovery due to the perception of low throughput and technical difficulty. Investigators in industry and academia have overcome these challenges by taking advantage of key factors that contribute to a successful crystallographic screening campaign. Efficient cocktail design and soaking methodologies have evolved to maximize throughput while minimizing false positives/negatives. In addition, technical improvements at synchrotron beamlines have dramatically increased data collection rates thus enabling screening on a timescale comparable to other techniques. The combination of available resources and efficient experimental design has resulted in many successful crystallographic screening campaigns. The three-dimensional crystal structure of the bound fragment complexed to its target, a direct result of the screening effort, enables structure-based drug design while revealing insights regarding protein dynamics and function not readily obtained through other experimental approaches. Furthermore, this "chemical interrogation" of the target protein crystals can lead to the identification of useful reagents for improving diffraction resolution or compound solubility. Copyright © 2014. Published by Elsevier Ltd.

Advantages of Crystallographic Fragment Screening: Functional and Mechanistic Insights from a Powerful Platform for Efficient Drug Discovery

Science.gov (United States)

Patel, Disha; Bauman, Joseph D.; Arnold, Eddy

2015-01-01

X-ray crystallography has been an under-appreciated screening tool for fragment-based drug discovery due to the perception of low throughput and technical difficulty. Investigators in industry and academia have overcome these challenges by taking advantage of key factors that contribute to a successful crystallographic screening campaign. Efficient cocktail design and soaking methodologies have evolved to maximize throughput while minimizing false positives/negatives. In addition, technical improvements at synchrotron beamlines have dramatically increased data collection rates thus enabling screening on a timescale comparable to other techniques. The combination of available resources and efficient experimental design has resulted in many successful crystallographic screening campaigns. The three-dimensional crystal structure of the bound fragment complexed to its target, a direct result of the screening effort, enables structure-based drug design while revealing insights regarding protein dynamics and function not readily obtained through other experimental approaches. Furthermore, this “chemical interrogation” of the target protein crystals can lead to the identification of useful reagents for improving diffraction resolution or compound solubility. PMID:25117499

Fundamental piezo-Hall coefficients of single crystal p-type 3C-SiC for arbitrary crystallographic orientation

Science.gov (United States)

Qamar, Afzaal; Dao, Dzung Viet; Phan, Hoang-Phuong; Dinh, Toan; Dimitrijev, Sima

2016-08-01

Piezo-Hall effect in a single crystal p-type 3C-SiC, grown by LPCVD process, has been characterized for various crystallographic orientations. The quantified values of the piezo-Hall effect in heavily doped p-type 3C-SiC(100) and 3C-SiC(111) for different crystallographic orientations were used to obtain the fundamental piezo-Hall coefficients, P 12 = ( 5.3 ± 0.4 ) × 10 - 11 Pa - 1 , P 11 = ( - 2.6 ± 0.6 ) × 10 - 11 Pa - 1 , and P 44 = ( 11.42 ± 0.6 ) × 10 - 11 Pa - 1 . Unlike the piezoresistive effect, the piezo-Hall effect for (100) and (111) planes is found to be independent of the angle of rotation of the device within the crystal plane. The values of fundamental piezo-Hall coefficients obtained in this study can be used to predict the piezo-Hall coefficients in any crystal orientation which is very important for designing of 3C-SiC Hall sensors to minimize the piezo-Hall effect for stable magnetic field sensitivity.

Assembly Discontinuity Factors for the Neutron Diffusion Equation discretized with the Finite Volume Method. Application to BWR

International Nuclear Information System (INIS)

Bernal, A.; Roman, J.E.; Miró, R.; Verdú, G.

2016-01-01

Highlights: • A method is proposed to solve the eigenvalue problem of the Neutron Diffusion Equation in BWR. • The Neutron Diffusion Equation is discretized with the Finite Volume Method. • The currents are calculated by using a polynomial expansion of the neutron flux. • The current continuity and boundary conditions are defined implicitly to reduce the size of the matrices. • Different structured and unstructured meshes were used to discretize the BWR. - Abstract: The neutron flux spatial distribution in Boiling Water Reactors (BWRs) can be calculated by means of the Neutron Diffusion Equation (NDE), which is a space- and time-dependent differential equation. In steady state conditions, the time derivative terms are zero and this equation is rewritten as an eigenvalue problem. In addition, the spatial partial derivatives terms are transformed into algebraic terms by discretizing the geometry and using numerical methods. As regards the geometrical discretization, BWRs are complex systems containing different components of different geometries and materials, but they are usually modelled as parallelepiped nodes each one containing only one homogenized material to simplify the solution of the NDE. There are several techniques to correct the homogenization in the node, but the most commonly used in BWRs is that based on Assembly Discontinuity Factors (ADFs). As regards numerical methods, the Finite Volume Method (FVM) is feasible and suitable to be applied to the NDE. In this paper, a FVM based on a polynomial expansion method has been used to obtain the matrices of the eigenvalue problem, assuring the accomplishment of the ADFs for a BWR. This eigenvalue problem has been solved by means of the SLEPc library.

Homogenization patterns of the world’s freshwater fish faunas

Science.gov (United States)

Villéger, Sébastien; Blanchet, Simon; Beauchard, Olivier; Oberdorff, Thierry; Brosse, Sébastien

2011-01-01

The world is currently undergoing an unprecedented decline in biodiversity, which is mainly attributable to human activities. For instance, nonnative species introduction, combined with the extirpation of native species, affects biodiversity patterns, notably by increasing the similarity among species assemblages. This biodiversity change, called taxonomic homogenization, has rarely been assessed at the world scale. Here, we fill this gap by assessing the current homogenization status of one of the most diverse vertebrate groups (i.e., freshwater fishes) at global and regional scales. We demonstrate that current homogenization of the freshwater fish faunas is still low at the world scale (0.5%) but reaches substantial levels (up to 10%) in some highly invaded river basins from the Nearctic and Palearctic realms. In these realms experiencing high changes, nonnative species introductions rather than native species extirpations drive taxonomic homogenization. Our results suggest that the “Homogocene era” is not yet the case for freshwater fish fauna at the worldwide scale. However, the distressingly high level of homogenization noted for some biogeographical realms stresses the need for further understanding of the ecological consequences of homogenization processes. PMID:22025692

Finite element simulation of impact response of wire mesh screens

Directory of Open Access Journals (Sweden)

Wang Caizheng

2015-01-01

Full Text Available In this paper, the response of wire mesh screens to low velocity impact with blunt objects is investigated using finite element (FE simulation. The woven wire mesh is modelled with homogeneous shell elements with equivalent smeared mechanical properties. The mechanical behaviour of the woven wire mesh was determined experimentally with tensile tests on steel wire mesh coupons to generate the data for the smeared shell material used in the FE. The effects of impacts with a low mass (4 kg and a large mass (40 kg providing the same impact energy are studied. The joint between the wire mesh screen and the aluminium frame surrounding it is modelled using contact elements with friction between the corresponding elements. Damage to the screen of different types compromising its structural integrity, such as mesh separation and pulling out from the surrounding frame is modelled. The FE simulation is validated with results of impact tests conducted on woven steel wire screen meshes.

Orientation-dependent crystal instability of gamma-TiAl in nanoindentation investigated by a multiscale interatomic potential finite-element model

International Nuclear Information System (INIS)

Xiong, Kai; Liu, Xiaohui; Gu, Jianfeng

2014-01-01

The anisotropic mechanical behavior of γ-TiAl alloys has been observed and repeatedly reported, but the effect of crystallographic orientations on the crystal instability of γ-TiAl is still unclear. In this paper, the orientation-dependent crystal instability of γ-TiAl single crystals was investigated by performing nanoindentation on different crystal surfaces. All the nanoindentations are simulated using an interatomic potential finite-element model (IPFEM). Simulation results show that the load–displacement curves, critical indentation depth and critical load for crystal instability as well as indentation modulus, are all associated with surface orientations. The active slip systems and the location of crystal instability in five typical nanoindentations are analyzed in detail, i.e. the (0 0 1), (1 0 0), (1 0 1), (1 1 0) and (1 1 1) crystal surfaces. The predicted crystal instability sites and the activated slipping systems in the IPFEM simulations are in good agreement with the dislocation nucleation in molecular dynamics simulations. (paper)

Development of Microstructure and Crystallographic Texture in a Double-Sided Friction Stir Welded Microalloyed Steel

Science.gov (United States)

Rahimi, S.; Wynne, B. P.; Baker, T. N.

2017-01-01

The evolution of microstructure and crystallographic texture has been investigated in double-sided friction stir welded microalloyed steel, using electron backscatter diffraction (EBSD). The microstructure analyses show that the center of stirred zone reached a temperature between Ac1 and Ac3 during FSW, resulting in a dual-phase austenitic/ ferritic microstructure. The temperatures in the thermo-mechanically affected zone and the overlapped area between the first and second weld pass did not exceed the Ac1. The shear generated by the rotation probe occurs in austenitic/ferritic phase field where the austenite portion of the microstructure is transformed to a bainitic ferrite, on cooling. Analysis of crystallographic textures with regard to shear flow lines generated by the probe tool shows the dominance of simple shear components across the whole weld. The austenite texture at Ac1 - Ac3 is dominated by the B { {1bar{1}2} }D2 { {11bar{2}} }< 111rangle simple shear texture components. The formation of ultrafine equiaxed ferrite with submicron grain size has been observed in the overlapped area between the first and second weld pass. This is due to continuous dynamic strain-induced recrystallization as a result of simultaneous severe shear deformation and drastic undercooling.

Crystallographic study of grain refinement in aluminum alloys using the edge-to-edge matching model

International Nuclear Information System (INIS)

Zhang, M.-X.; Kelly, P.M.; Easton, M.A.; Taylor, J.A.

2005-01-01

The edge-to-edge matching model for describing the interfacial crystallographic characteristics between two phases that are related by reproducible orientation relationships has been applied to the typical grain refiners in aluminum alloys. Excellent atomic matching between Al 3 Ti nucleating substrates, known to be effective nucleation sites for primary Al, and the Al matrix in both close packed directions and close packed planes containing these directions have been identified. The crystallographic features of the grain refiner and the Al matrix are very consistent with the edge-to-edge matching model. For three other typical grain refiners for Al alloys, TiC (when a = 0.4328 nm), TiB 2 and AlB 2 , the matching only occurs between the close packed directions in both phases and between the second close packed plane of the Al matrix and the second close packed plane of the refiners. According to the model, it is predicted that Al 3 Ti is a more powerful nucleating substrate for Al alloy than TiC, TiB 2 and AlB 2 . This agrees with the previous experimental results. The present work shows that the edge-to-edge matching model has the potential to be a powerful tool in discovering new and more powerful grain refiners for Al alloys

Observational homogeneity of the Universe

International Nuclear Information System (INIS)

Bonnor, W.B.; Ellis, G.F.R.

1986-01-01

A new approach to observational homogeneity is presented. The observation that stars and galaxies in distant regions appear similar to those nearby may be taken to imply that matter has had a similar thermodynamic history in widely separated parts of the Universe (the Postulate of Uniform Thermal Histories, or PUTH). The supposition is now made that similar thermodynamic histories imply similar dynamical histories. Then the distant apparent similarity is evidence for spatial homogeneity of the Universe. General Relativity is used to test this idea, taking a perfect fluid model and implementing PUTH by the condition that the density and entropy per baryon shall be the same function of the proper time along all galaxy world-lines. (author)

Cross section homogenization analysis for a simplified Candu reactor

International Nuclear Information System (INIS)

Pounders, Justin; Rahnema, Farzad; Mosher, Scott; Serghiuta, Dumitru; Turinsky, Paul; Sarsour, Hisham

2008-01-01

The effect of using zero current (infinite medium) boundary conditions to generate bundle homogenized cross sections for a stylized half-core Candu reactor problem is examined. Homogenized cross section from infinite medium lattice calculations are compared with cross sections homogenized using the exact flux from the reference core environment. The impact of these cross section differences is quantified by generating nodal diffusion theory solutions with both sets of cross sections. It is shown that the infinite medium spatial approximation is not negligible, and that ignoring the impact of the heterogeneous core environment on cross section homogenization leads to increased errors, particularly near control elements and the core periphery. (authors)

Hydrogen Production by Homogeneous Catalysis: Alcohol Acceptorless Dehydrogenation

DEFF Research Database (Denmark)

Nielsen, Martin

2015-01-01

in hydrogen production from biomass using homogeneous catalysis. Homogeneous catalysis has the advance of generally performing transformations at much milder conditions than traditional heterogeneous catalysis, and hence it constitutes a promising tool for future applications for a sustainable energy sector...

Dynamics of homogeneous nucleation

DEFF Research Database (Denmark)

Toxværd, Søren

2015-01-01

The classical nucleation theory for homogeneous nucleation is formulated as a theory for a density fluctuation in a supersaturated gas at a given temperature. But molecular dynamics simulations reveal that it is small cold clusters which initiates the nucleation. The temperature in the nucleating...

Introduction to finite temperature and finite density QCD

International Nuclear Information System (INIS)

Kitazawa, Masakiyo

2014-01-01

It has been pointed out that QCD (Quantum Chromodynamics) in the circumstances of medium at finite temperature and density shows numbers of phenomena similar to the characteristics of solid state physics, e.g. phase transitions. In the past ten years, the very high temperature and density matter came to be observed experimentally at the heavy ion collisions. At the same time, the numerical QCD analysis at finite temperature and density attained quantitative level analysis possible owing to the remarkable progress of computers. In this summer school lecture, it has been set out to give not only the recent results, but also the spontaneous breaking of the chiral symmetry, the fundamental theory of finite temperature and further expositions as in the following four sections. The first section is titled as 'Introduction to Finite Temperature and Density QCD' with subsections of 1.1 standard model and QCD, 1.2 phase transition and phase structure of QCD, 1.3 lattice QCD and thermodynamic quantity, 1.4 heavy ion collision experiments, and 1.5 neutron stars. The second one is 'Equilibrium State' with subsections of 2.1 chiral symmetry, 2.2 vacuum state: BCS theory, 2.3 NJL (Nambu-Jona-Lasinio) model, and 2.4 color superconductivity. The third one is 'Static fluctuations' with subsections of 3.1 fluctuations, 3.2 moment and cumulant, 3.3 increase of fluctuations at critical points, 3.4 analysis of fluctuations by lattice QCD and Taylor expansion, and 3.5 experimental exploration of QCD phase structure. The fourth one is 'Dynamical Structure' with 4.1 linear response theory, 4.2 spectral functions, 4.3 Matsubara function, and 4.4 analyses of dynamical structure by lattice QCD. (S. Funahashi)

Modeling of heterogeneous elastic materials by the multiscale hp-adaptive finite element method

Science.gov (United States)

Klimczak, Marek; Cecot, Witold

2018-01-01

We present an enhancement of the multiscale finite element method (MsFEM) by combining it with the hp-adaptive FEM. Such a discretization-based homogenization technique is a versatile tool for modeling heterogeneous materials with fast oscillating elasticity coefficients. No assumption on periodicity of the domain is required. In order to avoid direct, so-called overkill mesh computations, a coarse mesh with effective stiffness matrices is used and special shape functions are constructed to account for the local heterogeneities at the micro resolution. The automatic adaptivity (hp-type at the macro resolution and h-type at the micro resolution) increases efficiency of computation. In this paper details of the modified MsFEM are presented and a numerical test performed on a Fichera corner domain is presented in order to validate the proposed approach.

Finite element computational fluid mechanics

International Nuclear Information System (INIS)

Baker, A.J.

1983-01-01

This book analyzes finite element theory as applied to computational fluid mechanics. It includes a chapter on using the heat conduction equation to expose the essence of finite element theory, including higher-order accuracy and convergence in a common knowledge framework. Another chapter generalizes the algorithm to extend application to the nonlinearity of the Navier-Stokes equations. Other chapters are concerned with the analysis of a specific fluids mechanics problem class, including theory and applications. Some of the topics covered include finite element theory for linear mechanics; potential flow; weighted residuals/galerkin finite element theory; inviscid and convection dominated flows; boundary layers; parabolic three-dimensional flows; and viscous and rotational flows

Designs and finite geometries

CERN Document Server

1996-01-01

Designs and Finite Geometries brings together in one place important contributions and up-to-date research results in this important area of mathematics. Designs and Finite Geometries serves as an excellent reference, providing insight into some of the most important research issues in the field.

A convenient procedure for magnetic field homogeneity evaluation

International Nuclear Information System (INIS)

Teles, J; Garrido, C E; Tannus, A

2004-01-01

In many areas of research that utilize magnetic fields in their studies, it is important to obtain fields with a spatial distribution as homogeneous as possible. A procedure usually utilized to evaluate and to optimize field homogeneity is the expansion of the measured field in spherical harmonic components. In addition to the methods proposed in the literature, we present a more convenient procedure for evaluation of field homogeneity inside a spherical volume. The procedure uses the orthogonality property of the spherical harmonics to find the field variance. It is shown that the total field variance is equal to the sum of the individual variances of each field component in the spherical harmonic expansion. Besides the advantages of the linear behaviour of the individual variances, there is the fact that the field variance and standard deviation are the best parameters to achieve global homogeneity field information

Platinum Group Thiophenoxyimine Complexes: Syntheses,Crystallographic and Computational Studies of Structural Properties

Energy Technology Data Exchange (ETDEWEB)

Krinsky, Jamin L.; Arnold, John; Bergman, Robert G.

2006-10-03

Monomeric thiosalicylaldiminate complexes of rhodium(I) and iridium(I) were prepared by ligand transfer from the homoleptic zinc(II) species. In the presence of strongly donating ligands, the iridium complexes undergo insertion of the metal into the imine carbon-hydrogen bond. Thiophenoxyketimines were prepared by non-templated reaction of o-mercaptoacetophenone with anilines, and were complexed with rhodium(I), iridium(I), nickel(II) and platinum(II). X-ray crystallographic studies showed that while the thiosalicylaldiminate complexes display planar ligand conformations, those of the thiophenoxyketiminates are strongly distorted. Results of a computational study were consistent with a steric-strain interpretation of the difference in preferred ligand geometries.

Homogeneous Free Cooling State in Binary Granular Fluids of Inelastic Rough Hard Spheres

Science.gov (United States)

Santos, Andrés

2011-05-01

In a recent paper [A. Santos, G. M. Kremer, and V. Garzó, Prog. Theor. Phys. Suppl. 184, 31-48 (2010)] the collisional energy production rates associated with the translational and rotational granular temperatures in a granular fluid mixture of inelastic rough hard spheres have been derived. In the present paper the energy production rates are explicitly decomposed into equipartition rates (tending to make all the temperatures equal) plus genuine cooling rates (reflecting the collisional dissipation of energy). Next the homogeneous free cooling state of a binary mixture is analyzed, with special emphasis on the quasi-smooth limit. A previously reported singular behavior (according to which a vanishingly small amount of roughness has a finite effect, with respect to the perfectly smooth case, on the asymptotic long-time translational/translational temperature ratio) is further elaborated. Moreover, the study of the time evolution of the temperature ratios shows that this dramatic influence of roughness already appears in the transient regime for times comparable to the relaxation time of perfectly smooth spheres.

Homogenization of aligned “fuzzy fiber” composites

KAUST Repository

Chatzigeorgiou, George

2011-09-01

The aim of this work is to study composites in which carbon fibers coated with radially aligned carbon nanotubes are embedded in a matrix. The effective properties of these composites are identified using the asymptotic expansion homogenization method in two steps. Homogenization is performed in different coordinate systems, the cylindrical and the Cartesian, and a numerical example are presented. © 2011 Elsevier Ltd. All rights reserved.

Structural changes in heat resisting high nickel alloys during homogenization

International Nuclear Information System (INIS)

Kleshchev, A.S.; Korneeva, N.N.; Yurina, O.M.; Guzej, L.S.

1981-01-01

Effect of homogenization on the structure and technological plasticity of the KhN73MBTYu and KhN62BMKTYu alloys during treatment with pressure is investigated taking into account peculiarities if the phase composition. It is shown that homogenization of the KhN73MBTYu and KhN62BMKTYu alloys increases the technological plasticity. Homogenization efficiency is conditioned by the change of the grain boundaries and carbide morphology as well as by homogeneous distribution of the large γ'-phase [ru

A hybrid finite-volume and finite difference scheme for depth-integrated non-hydrostatic model

Science.gov (United States)

Yin, Jing; Sun, Jia-wen; Wang, Xing-gang; Yu, Yong-hai; Sun, Zhao-chen

2017-06-01

A depth-integrated, non-hydrostatic model with hybrid finite difference and finite volume numerical algorithm is proposed in this paper. By utilizing a fraction step method, the governing equations are decomposed into hydrostatic and non-hydrostatic parts. The first part is solved by using the finite volume conservative discretization method, whilst the latter is considered by solving discretized Poisson-type equations with the finite difference method. The second-order accuracy, both in time and space, of the finite volume scheme is achieved by using an explicit predictor-correction step and linear construction of variable state in cells. The fluxes across the cell faces are computed in a Godunov-based manner by using MUSTA scheme. Slope and flux limiting technique is used to equip the algorithm with total variation dimensioning property for shock capturing purpose. Wave breaking is treated as a shock by switching off the non-hydrostatic pressure in the steep wave front locally. The model deals with moving wet/dry front in a simple way. Numerical experiments are conducted to verify the proposed model.

Homogeneous group, research, institution

Directory of Open Access Journals (Sweden)

Francesca Natascia Vasta

2014-09-01

Full Text Available The work outlines the complex connection among empiric research, therapeutic programs and host institution. It is considered the current research state in Italy. Italian research field is analyzed and critic data are outlined: lack of results regarding both the therapeutic processes and the effectiveness of eating disorders group analytic treatment. The work investigates on an eating disorders homogeneous group, led into an eating disorder outpatient service. First we present the methodological steps the research is based on including the strong connection among theory and clinical tools. Secondly clinical tools are described and the results commented. Finally, our results suggest the necessity of validating some more specifical hypothesis: verifying the relationship between clinical improvement (sense of exclusion and painful emotions reduction and specific group therapeutic processes; verifying the relationship between depressive feelings, relapses and transition trough a more differentiated groupal field.Keywords: Homogeneous group; Eating disorders; Institutional field; Therapeutic outcome

Is it possible to homogenize resonant chiral metamaterials ?

DEFF Research Database (Denmark)

Andryieuski, Andrei; Menzel, Christoph; Rockstuhl, Carsten

2010-01-01

Homogenization of metamaterials is very important as it makes possible description in terms of effective parameters. In this contribution we consider the homogenization of chiral metamaterials. We show that for some metamaterials there is an optimal meta-atom size which depends on the coupling...

Analytical solution of spatial kinetics of the diffusion model for subcritical homogeneous systems driven by external source

International Nuclear Information System (INIS)

Oliveira, Fernando Luiz de

2008-01-01

This work describes an analytical solution obtained by the expansion method for the spatial kinetics using the diffusion model with delayed emission for source transients in homogeneous media. In particular, starting from simple models, and increasing the complexity, numerical results were obtained for different types of source transients. An analytical solution of the one group without precursors was solved, followed by considering one precursors family. The general case of G-groups with R families of precursor although having a closed form solution, cannot be solved analytically, since there are no explicit formulae for the eigenvalues, and numerical methods must be used to solve such problem. To illustrate the general solution, the multi-group (three groups) time-dependent problem without precursors was solved and the numerical results of a finite difference code were compared with the exact results for different transients. (author)

Automating crystallographic structure solution and refinement of protein–ligand complexes

International Nuclear Information System (INIS)

Echols, Nathaniel; Moriarty, Nigel W.; Klei, Herbert E.; Afonine, Pavel V.; Bunkóczi, Gábor; Headd, Jeffrey J.; McCoy, Airlie J.; Oeffner, Robert D.; Read, Randy J.; Terwilliger, Thomas C.; Adams, Paul D.

2013-01-01

A software system for automated protein–ligand crystallography has been implemented in the Phenix suite. This significantly reduces the manual effort required in high-throughput crystallographic studies. High-throughput drug-discovery and mechanistic studies often require the determination of multiple related crystal structures that only differ in the bound ligands, point mutations in the protein sequence and minor conformational changes. If performed manually, solution and refinement requires extensive repetition of the same tasks for each structure. To accelerate this process and minimize manual effort, a pipeline encompassing all stages of ligand building and refinement, starting from integrated and scaled diffraction intensities, has been implemented in Phenix. The resulting system is able to successfully solve and refine large collections of structures in parallel without extensive user intervention prior to the final stages of model completion and validation

Root-cause analysis of the better performance of the coarse-mesh finite-difference method for CANDU-type reactors

International Nuclear Information System (INIS)

Shen, W.

2012-01-01

Recent assessment results indicate that the coarse-mesh finite-difference method (FDM) gives consistently smaller percent differences in channel powers than the fine-mesh FDM when compared to the reference MCNP solution for CANDU-type reactors. However, there is an impression that the fine-mesh FDM should always give more accurate results than the coarse-mesh FDM in theory. To answer the question if the better performance of the coarse-mesh FDM for CANDU-type reactors was just a coincidence (cancellation of errors) or caused by the use of heavy water or the use of lattice-homogenized cross sections for the cluster fuel geometry in the diffusion calculation, three benchmark problems were set up with three different fuel lattices: CANDU, HWR and PWR. These benchmark problems were then used to analyze the root cause of the better performance of the coarse-mesh FDM for CANDU-type reactors. The analyses confirm that the better performance of the coarse-mesh FDM for CANDU-type reactors is mainly caused by the use of lattice-homogenized cross sections for the sub-meshes of the cluster fuel geometry in the diffusion calculation. Based on the analyses, it is recommended to use 2 x 2 coarse-mesh FDM to analyze CANDU-type reactors when lattice-homogenized cross sections are used in the core analysis. (authors)

Root-cause analysis of the better performance of the coarse-mesh finite-difference method for CANDU-type reactors

Energy Technology Data Exchange (ETDEWEB)

Shen, W. [Candu Energy Inc., 2285 Speakman Dr., Mississauga, ON L5B 1K (Canada)

2012-07-01

Recent assessment results indicate that the coarse-mesh finite-difference method (FDM) gives consistently smaller percent differences in channel powers than the fine-mesh FDM when compared to the reference MCNP solution for CANDU-type reactors. However, there is an impression that the fine-mesh FDM should always give more accurate results than the coarse-mesh FDM in theory. To answer the question if the better performance of the coarse-mesh FDM for CANDU-type reactors was just a coincidence (cancellation of errors) or caused by the use of heavy water or the use of lattice-homogenized cross sections for the cluster fuel geometry in the diffusion calculation, three benchmark problems were set up with three different fuel lattices: CANDU, HWR and PWR. These benchmark problems were then used to analyze the root cause of the better performance of the coarse-mesh FDM for CANDU-type reactors. The analyses confirm that the better performance of the coarse-mesh FDM for CANDU-type reactors is mainly caused by the use of lattice-homogenized cross sections for the sub-meshes of the cluster fuel geometry in the diffusion calculation. Based on the analyses, it is recommended to use 2 x 2 coarse-mesh FDM to analyze CANDU-type reactors when lattice-homogenized cross sections are used in the core analysis. (authors)

Matrix-dependent multigrid-homogenization for diffusion problems

Energy Technology Data Exchange (ETDEWEB)

Knapek, S. [Institut fuer Informatik tu Muenchen (Germany)

1996-12-31

We present a method to approximately determine the effective diffusion coefficient on the coarse scale level of problems with strongly varying or discontinuous diffusion coefficients. It is based on techniques used also in multigrid, like Dendy`s matrix-dependent prolongations and the construction of coarse grid operators by means of the Galerkin approximation. In numerical experiments, we compare our multigrid-homogenization method with homogenization, renormalization and averaging approaches.

Relativistic finite-temperature Thomas-Fermi model

Science.gov (United States)

Faussurier, Gérald

2017-11-01

We investigate the relativistic finite-temperature Thomas-Fermi model, which has been proposed recently in an astrophysical context. Assuming a constant distribution of protons inside the nucleus of finite size avoids severe divergence of the electron density with respect to a point-like nucleus. A formula for the nuclear radius is chosen to treat any element. The relativistic finite-temperature Thomas-Fermi model matches the two asymptotic regimes, i.e., the non-relativistic and the ultra-relativistic finite-temperature Thomas-Fermi models. The equation of state is considered in detail. For each version of the finite-temperature Thomas-Fermi model, the pressure, the kinetic energy, and the entropy are calculated. The internal energy and free energy are also considered. The thermodynamic consistency of the three models is considered by working from the free energy. The virial question is also studied in the three cases as well as the relationship with the density functional theory. The relativistic finite-temperature Thomas-Fermi model is far more involved than the non-relativistic and ultra-relativistic finite-temperature Thomas-Fermi models that are very close to each other from a mathematical point of view.

Nonlinear vibration of a traveling belt with non-homogeneous boundaries

Science.gov (United States)

Ding, Hu; Lim, C. W.; Chen, Li-Qun

2018-06-01

Free and forced nonlinear vibrations of a traveling belt with non-homogeneous boundary conditions are studied. The axially moving materials in operation are always externally excited and produce strong vibrations. The moving materials with the homogeneous boundary condition are usually considered. In this paper, the non-homogeneous boundaries are introduced by the support wheels. Equilibrium deformation of the belt is produced by the non-homogeneous boundaries. In order to solve the equilibrium deformation, the differential and integral quadrature methods (DIQMs) are utilized to develop an iterative scheme. The influence of the equilibrium deformation on free and forced nonlinear vibrations of the belt is explored. The DIQMs are applied to solve the natural frequencies and forced resonance responses of transverse vibration around the equilibrium deformation. The Galerkin truncation method (GTM) is utilized to confirm the DIQMs' results. The numerical results demonstrate that the non-homogeneous boundary conditions cause the transverse vibration to deviate from the straight equilibrium, increase the natural frequencies, and lead to coexistence of square nonlinear terms and cubic nonlinear terms. Moreover, the influence of non-homogeneous boundaries can be exacerbated by the axial speed. Therefore, non-homogeneous boundary conditions of axially moving materials especially should be taken into account.

Homogenization of Stokes and Navier-Stokes equations

International Nuclear Information System (INIS)

Allaire, G.

1990-04-01

This thesis is devoted to homogenization of Stokes and Navier-Stokes equations with a Dirichlet boundary condition in a domain containing many tiny obstacles. Tipycally those obstacles are distributed at the modes of a periodic lattice with same small period in each axe's direction, and their size is always asymptotically smaller than the lattice's step. With the help of the energy method, and thanks to a suitable pressure's extension, we prove the convergence of the homogenization process when the lattice's step tends to zero (and thus the number of obstacles tends to infinity). For a so-called critical size of the obstacles, the homogenized problem turns out to be a Brinkman's law (i.e. Stokes or Navier-Stokes equation plus a linear zero-order term for the velocity in the momentum equation). For obstacles which have a size smaller than the critical one, the limit problem reduces to the initial Stokes or Navier-Stokes equations, while for larger sizes the homogenized problem a Darcy's law. Furthermore, those results have been extended to the case of obstacles included in a hyperplane, and we establish a simple model of fluid flows through grids, which is based on a special form of Brinkman's law [fr

Supersymmetric theories and finiteness

International Nuclear Information System (INIS)

Helayel-Neto, J.A.

1989-01-01

We attempt here to present a short survey of the all-order finite Lagrangian field theories known at present in four-and two-dimensional space-times. The question of the possible relevance of these ultraviolet finite models in the formulation of consistent unified frameworks for the fundamental forces is also addressed to. (author)

Erbium-ion implantation into various crystallographic cuts of Al{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Nekvindova, P. [Department of Inorganic Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Mackova, A.; Malinsky, P. [Nuclear Physics Institute of the Academy of Sciences of the Czech Republic v.v.i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J.E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Cajzl, J.; Svecova, B. [Department of Inorganic Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Oswald, J. [Institute of Physics, Academy of Sciences of the Czech Republic, v.v.i., Cukrovarnicka 10, 162 53 Prague (Czech Republic); Wilhelm, R.A. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany); Technische Universität Dresden, 01062 Dresden (Germany)

2015-12-15

This paper reports on the importance of crystallographic cuts with a different orientation on the luminescent properties and structural changes of Al{sub 2}O{sub 3} implanted with Er{sup +} ions at 190 keV and with a fluence of 1.0 × 10{sup 16} cm{sup −2}. Post-implantation annealing at 1000 °C in oxygen atmosphere was also done. The chemical compositions and erbium concentration-depth profiles of implanted layers were studied by Rutherford Backscattering Spectrometry (RBS) and compared to SRIM simulations. The same value of the maximum erbium concentration (up to 2 at.%) was observed at a depth of about 40 nm for all crystallographic cuts. The structural properties of the prepared layers were characterised by RBS/channelling. The relative amount of disordered atoms of 70–80% was observed in the prepared implanted layers and discussed for various cuts. It has been found that erbium is positioned randomly in the Al{sub 2}O{sub 3} crystalline matrix, and no preferential positions appeared even after the annealing procedure. Erbium luminescence properties were measured in the wavelength range of 1440–1650 nm for all samples. As-implanted Al{sub 2}O{sub 3} samples had a significant luminescence band at 1530 nm. The best luminescence was repeatedly observed in the 〈0 0 0 1〉 cut of Al{sub 2}O{sub 3}. The annealing procedure significantly improved the luminescent properties.

Homogenized thermal conduction model for particulate foods

OpenAIRE

Chinesta , Francisco; Torres , Rafael; Ramón , Antonio; Rodrigo , Mari Carmen; Rodrigo , Miguel

2002-01-01

International audience; This paper deals with the definition of an equivalent thermal conductivity for particulate foods. An homogenized thermal model is used to asses the effect of particulate spatial distribution and differences in thermal conductivities. We prove that the spatial average of the conductivity can be used in an homogenized heat transfer model if the conductivity differences among the food components are not very large, usually the highest conductivity ratio between the foods ...

A first course in finite elements

CERN Document Server

Fish, Jacob

2007-01-01

Developed from the authors, combined total of 50 years undergraduate and graduate teaching experience, this book presents the finite element method formulated as a general-purpose numerical procedure for solving engineering problems governed by partial differential equations.  Focusing on the formulation and application of the finite element method through the integration of finite element theory, code development, and software application, the book is both introductory and self-contained, as well as being a hands-on experience for any student. This authoritative text on Finite Elements:Adopts

Features of finite quantum field theories

International Nuclear Information System (INIS)

Boehm, M.; Denner, A.

1987-01-01

We analyse general features of finite quantum field theories. A quantum field theory is considered to be finite, if the corresponding renormalization constants evaluated in the dimensional regularization scheme are free from divergences in all orders of perturbation theory. We conclude that every finite renormalizable quantum field theory with fields of spin one or less must contain both scalar fields and fermion fields and nonabelian gauge fields. Some secific nonsupersymmetric models are found to be finite at the one- and two-loop level. (orig.)

Interaction of a finite-length ion beam with a background plasma: Reflected ions at the quasi-parallel bow shock

International Nuclear Information System (INIS)

Onsager, T.G.; Winske, D.; Thomsen, M.F.

1991-01-01

The coupling of a finite-length, field-aligned, ion beam with a uniform background plasma is investigated using one-dimensional hybrid computer simulations. The finite-length beam is used to study the interaction between the incident solar wind and ions reflected from the Earth's quasi-parallel bow shock, where the reflection process may vary with time. The coupling between the reflected ions and the solar wind is relevant to ion heating at the bow shock and possibly to the formation of hot, flow anomalies and re-formation of the shock itself. The authors find that although there are many similarities between the instabilities driven by the finite-length beam and those predicted by linear theory for an infinite, homogeneous beam, there are also some important differences. Consistent with linear theory, the waves which dominate the interaction are the electromagnetic right-hand polarized resonant and nonresonant modes. However, in addition to the instability growth rates, the length of time that the waves are in contact with the beam is also an important factor in determining which wave mode will dominate the interaction. Whereas linear theory predicts the nonresonant mode to have the larger growth rate for the parameters they investigate, with finite-length beam they find that both the nonresonant and resonant modes contribute to the interaction. They find that the interaction will result in strong coupling, where a significant fraction of the available free energy is converted into thermal energy in a short time, provided the beam is sufficiently dense or sufficiently long

Strong morphological and crystallographic texture and resulting yield strength anisotropy in selective laser melted tantalum

International Nuclear Information System (INIS)

Thijs, Lore; Montero Sistiaga, Maria Luz; Wauthle, Ruben; Xie, Qingge; Kruth, Jean-Pierre; Van Humbeeck, Jan

2013-01-01

Selective laser melting (SLM) makes use of a high energy density laser beam to melt successive layers of metallic powders in order to create functional parts. The energy density of the laser is high enough to melt refractory metals like Ta and produce mechanically sound parts. Furthermore, the localized heat input causes a strong directional cooling and solidification. Epitaxial growth due to partial remelting of the previous layer, competitive growth mechanism and a specific global direction of heat flow during SLM of Ta result in the formation of long columnar grains with a 〈1 1 1〉 preferential crystal orientation along the building direction. The microstructure was visualized using both optical and scanning electron microscopy equipped with electron backscattered diffraction and the global crystallographic texture was measured using X-ray diffraction. The thermal profile around the melt pool was modeled using a pragmatic model for SLM. Furthermore, rotation of the scanning direction between different layers was seen to promote the competitive growth. As a result, the texture strength increased to as large as 4.7 for rotating the scanning direction 90° every layer. By comparison of the yield strength measured by compression tests in different orientations and the averaged Taylor factor calculated using the viscoplastic self-consistent model, it was found that both the morphological and crystallographic texture observed in SLM Ta contribute to yield strength anisotropy

Soy Protein Isolate-Phosphatidylcholine Nanoemulsions Prepared Using High-Pressure Homogenization.

Science.gov (United States)

Li, Yang; Wu, Chang-Ling; Liu, Jun; Zhu, Ying; Zhang, Xiao-Yuan; Jiang, Lian-Zhou; Qi, Bao-Kun; Zhang, Xiao-Nan; Wang, Zhong-Jiang; Teng, Fei

2018-05-07

The nanoemulsions of soy protein isolate-phosphatidylcholine (SPI-PC) with different emulsion conditions were studied. Homogenization pressure and homogenization cycle times were varied, along with SPI and PC concentration. Evaluations included turbidity, particle size, ζ-potential, particle distribution index, and turbiscan stability index (TSI). The nanoemulsions had the best stability when SPI was at 1.5%, PC was at 0.22%, the homogenization pressure was 100 MPa and homogenization was performed 4 times. The average particle size of the SPI-PC nanoemulsions was 217 nm, the TSI was 3.02 and the emulsification yield was 93.4% of nanoemulsions.

Strong interaction at finite temperature

Indian Academy of Sciences (India)

Quantum chromodynamics; finite temperature; chiral perturbation theory; QCD sum rules. PACS Nos 11.10. ..... at finite temperature. The self-energy diagrams of figure 2 modify it to ..... method of determination at present. Acknowledgement.

Discrete breathers dynamic in a model for DNA chain with a finite stacking enthalpy

Science.gov (United States)

Gninzanlong, Carlos Lawrence; Ndjomatchoua, Frank Thomas; Tchawoua, Clément

2018-04-01

The nonlinear dynamics of a homogeneous DNA chain based on site-dependent finite stacking and pairing enthalpies is studied. A new variant of extended discrete nonlinear Schrödinger equation describing the dynamics of modulated wave is derived. The regions of discrete modulational instability of plane carrier waves are studied, and it appears that these zones depend strongly on the phonon frequency of Fourier's mode. The staggered/unstaggered discrete breather (SDB/USDB) is obtained straightforwardly without the staggering transformation, and it is demonstrated that SDBs are less unstable than USDB. The instability of discrete multi-humped SDB/USDB solution does not depend on the number of peaks of the discrete breather (DB). By using the concept of Peierls-Nabarro energy barrier, it appears that the low-frequency DBs are more mobile.